USER MOD reduce.3.24.130724 H: found=0, std=0, add=798, rem=0, adj=18 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 70 TRP H : A 70 TRP N : A 173 RCY C1V :(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 RCYH1SA : A 121 RCY C1S : A 21 CYS SG :(H bumps) USER MOD NoAdj-H: A 121 RCY H1C : A 121 RCY C1C : A 17 MET CB :(H bumps) USER MOD NoAdj-H: A 130 RCYH1SA : A 130 RCY C1S : A 30 CYS SG :(H bumps) USER MOD NoAdj-H: A 138 RCYH1VB : A 138 RCY C1V : A 150 RCY C1C :(H bumps) USER MOD NoAdj-H: A 138 RCYH1VA : A 138 RCY C1V : A 150 RCY C1C :(H bumps) USER MOD NoAdj-H: A 138 RCYH1SA : A 138 RCY C1S : A 38 CYS SG :(H bumps) USER MOD NoAdj-H: A 150 RCYH1SA : A 150 RCY C1S : A 50 CYS SG :(H bumps) USER MOD NoAdj-H: A 150 RCY H1C : A 150 RCY C1C : A 138 RCY C1V :(H bumps) USER MOD NoAdj-H: A 160 RCYH1SA : A 160 RCY C1S : A 60 CYS SG :(H bumps) USER MOD NoAdj-H: A 168 RCYH1ZB : A 168 RCY C1Z : A 187 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 168 RCYH1ZA : A 168 RCY C1Z : A 187 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 168 RCYH1SA : A 168 RCY C1S : A 68 CYS SG :(H bumps) USER MOD NoAdj-H: A 168 RCY H1Z : A 168 RCY C1Z : A 187 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 173 RCYH1VB : A 173 RCY C1V : A 70 TRP CA :(H bumps) USER MOD NoAdj-H: A 173 RCYH1SA : A 173 RCY C1S : A 173 RCY N1R :(H bumps) USER MOD NoAdj-H: A 173 RCYH1CA : A 173 RCY C1C : A 70 TRP CD2 :(H bumps) USER MOD NoAdj-H: A 173 RCY H1V : A 173 RCY C1V : A 70 TRP CA :(H bumps) USER MOD NoAdj-H: A 173 RCY H1S : A 173 RCY C1S : A 173 RCY O1G :(H bumps) USER MOD NoAdj-H: A 173 RCY H1L : A 173 RCY C1L : A 173 RCY O1H :(H bumps) USER MOD NoAdj-H: A 173 RCY H1C : A 173 RCY C1C : A 70 TRP CD2 :(H bumps) USER MOD NoAdj-H: A 176 RCYH1ZB : A 176 RCY C1Z : A 187 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 176 RCYH1ZA : A 176 RCY C1Z : A 187 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 176 RCYH1SA : A 176 RCY C1S : A 76 CYS SG :(H bumps) USER MOD NoAdj-H: A 176 RCYH1MA : A 176 RCY C1M : A 187 RCY C1Z :(H bumps) USER MOD NoAdj-H: A 176 RCY H1M : A 176 RCY C1M : A 187 RCY C1Z :(H bumps) USER MOD NoAdj-H: A 187 RCYH1ZB : A 187 RCY C1Z : A 176 RCY C1M :(H bumps) USER MOD NoAdj-H: A 187 RCYH1ZA : A 187 RCY C1Z : A 176 RCY C1M :(H bumps) USER MOD NoAdj-H: A 187 RCYH1YB : A 187 RCY C1Y : A 176 RCY C1Z :(H bumps) USER MOD NoAdj-H: A 187 RCYH1YA : A 187 RCY C1Y : A 168 RCY C1Z :(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 176 RCY C1M :(H bumps) USER MOD NoAdj-H: A 187 RCY H1Y : A 187 RCY C1Y : A 168 RCY C1Z :(H bumps) USER MOD Set 1.1: A 75 HIS : no HD1:sc= -0.986 K(o=-1.3,f=-4.8!) USER MOD Set 1.2: A 79 HIS : no HD1:sc= -0.289 X(o=-1.3,f=-1.5) USER MOD Set 2.1: A 62 THR OG1 : rot 144:sc= 0.641 USER MOD Set 2.2: A 65 THR OG1 : rot 82:sc= 2.25 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -145:sc= 0.00497 (180deg=0) USER MOD Single : A 2 ASN :FLIP amide:sc=-0.00932 F(o=-1.4!,f=-0.0093) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -67:sc= 0.869 USER MOD Single : A 17 MET CE :methyl 158:sc= -25.3! (180deg=-26.8!) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.067 USER MOD Single : A 25 LYS NZ :NH3+ 144:sc= -0.165 (180deg=-1.29!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0384) USER MOD Single : A 32 GLN :FLIP amide:sc= 0 F(o=-1.2!,f=0) USER MOD Single : A 34 GLN : amide:sc= -0.502! K(o=-0.5!,f=-1.3) USER MOD Single : A 35 THR OG1 : rot 180:sc=-0.00861 USER MOD Single : A 37 GLN :FLIP amide:sc= -0.335 F(o=-1.3,f=-0.33) USER MOD Single : A 39 LYS NZ :NH3+ -108:sc= -1.29 (180deg=-3.68!) USER MOD Single : A 40 SER OG : rot 180:sc= -0.0905 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ -135:sc= -0.588 (180deg=-1.78!) USER MOD Single : A 45 LYS NZ :NH3+ -164:sc=-0.00119 (180deg=-0.185) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=-0.03) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= -1.87! C(o=-1.9!,f=-4.1!) USER MOD Single : A 83 GLN : amide:sc= -0.273 K(o=-0.27,f=-2.8!) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 69.118 -2.554 29.958 1.00 1.00 N ATOM 2 CA MET A 1 70.521 -2.715 29.482 1.00 1.00 C ATOM 3 C MET A 1 70.531 -2.812 27.954 1.00 1.00 C ATOM 4 O MET A 1 69.883 -2.046 27.270 1.00 1.00 O ATOM 5 CB MET A 1 71.119 -3.990 30.084 1.00 1.00 C ATOM 6 CG MET A 1 72.646 -3.906 30.046 1.00 1.00 C ATOM 7 SD MET A 1 73.348 -5.552 30.320 1.00 1.00 S ATOM 8 CE MET A 1 75.090 -5.060 30.308 1.00 1.00 C ATOM 0 H1 MET A 1 69.104 -1.934 30.793 1.00 1.00 H new ATOM 0 H2 MET A 1 68.542 -2.131 29.203 1.00 1.00 H new ATOM 0 H3 MET A 1 68.728 -3.484 30.211 1.00 1.00 H new ATOM 0 HA MET A 1 71.115 -1.856 29.793 1.00 1.00 H new ATOM 0 HB2 MET A 1 70.777 -4.115 31.111 1.00 1.00 H new ATOM 0 HB3 MET A 1 70.778 -4.862 29.526 1.00 1.00 H new ATOM 0 HG2 MET A 1 72.975 -3.514 29.084 1.00 1.00 H new ATOM 0 HG3 MET A 1 73.002 -3.215 30.810 1.00 1.00 H new ATOM 0 HE1 MET A 1 75.717 -5.938 30.463 1.00 1.00 H new ATOM 0 HE2 MET A 1 75.333 -4.606 29.348 1.00 1.00 H new ATOM 0 HE3 MET A 1 75.270 -4.340 31.106 1.00 1.00 H new ATOM 17 N ASN A 2 71.264 -3.750 27.414 1.00 1.00 N ATOM 18 CA ASN A 2 71.319 -3.899 25.930 1.00 1.00 C ATOM 19 C ASN A 2 70.370 -5.018 25.494 1.00 1.00 C ATOM 20 O ASN A 2 69.875 -5.776 26.305 1.00 1.00 O ATOM 21 CB ASN A 2 72.747 -4.251 25.508 1.00 1.00 C ATOM 22 CG ASN A 2 73.688 -3.104 25.881 1.00 1.00 C ATOM 23 OD1 ASN A 2 73.194 -1.913 26.089 1.00 1.00 O flip ATOM 24 ND2 ASN A 2 74.883 -3.292 25.985 1.00 1.00 N flip ATOM 0 H ASN A 2 71.828 -4.420 27.937 1.00 1.00 H new ATOM 0 HA ASN A 2 71.019 -2.963 25.459 1.00 1.00 H new ATOM 0 HB2 ASN A 2 73.066 -5.171 25.998 1.00 1.00 H new ATOM 0 HB3 ASN A 2 72.786 -4.432 24.434 1.00 1.00 H new ATOM 0 HD21 ASN A 2 75.269 -4.222 25.823 1.00 1.00 H new ATOM 0 HD22 ASN A 2 75.501 -2.520 26.235 1.00 1.00 H new ATOM 31 N LEU A 3 70.113 -5.126 24.218 1.00 1.00 N ATOM 32 CA LEU A 3 69.197 -6.195 23.723 1.00 1.00 C ATOM 33 C LEU A 3 69.739 -6.758 22.407 1.00 1.00 C ATOM 34 O LEU A 3 70.776 -6.346 21.927 1.00 1.00 O ATOM 35 CB LEU A 3 67.800 -5.607 23.489 1.00 1.00 C ATOM 36 CG LEU A 3 67.921 -4.255 22.783 1.00 1.00 C ATOM 37 CD1 LEU A 3 66.742 -4.072 21.825 1.00 1.00 C ATOM 38 CD2 LEU A 3 67.909 -3.135 23.825 1.00 1.00 C ATOM 0 H LEU A 3 70.499 -4.519 23.495 1.00 1.00 H new ATOM 0 HA LEU A 3 69.135 -6.992 24.464 1.00 1.00 H new ATOM 0 HB2 LEU A 3 67.203 -6.291 22.886 1.00 1.00 H new ATOM 0 HB3 LEU A 3 67.282 -5.486 24.440 1.00 1.00 H new ATOM 0 HG LEU A 3 68.854 -4.220 22.221 1.00 1.00 H new ATOM 0 HD11 LEU A 3 66.828 -3.109 21.322 1.00 1.00 H new ATOM 0 HD12 LEU A 3 66.749 -4.871 21.083 1.00 1.00 H new ATOM 0 HD13 LEU A 3 65.808 -4.106 22.386 1.00 1.00 H new ATOM 0 HD21 LEU A 3 67.995 -2.171 23.324 1.00 1.00 H new ATOM 0 HD22 LEU A 3 66.975 -3.170 24.386 1.00 1.00 H new ATOM 0 HD23 LEU A 3 68.748 -3.265 24.508 1.00 1.00 H new ATOM 50 N GLU A 4 69.043 -7.698 21.822 1.00 1.00 N ATOM 51 CA GLU A 4 69.511 -8.295 20.533 1.00 1.00 C ATOM 52 C GLU A 4 68.547 -7.886 19.414 1.00 1.00 C ATOM 53 O GLU A 4 67.469 -7.386 19.669 1.00 1.00 O ATOM 54 CB GLU A 4 69.550 -9.830 20.654 1.00 1.00 C ATOM 55 CG GLU A 4 69.259 -10.236 22.100 1.00 1.00 C ATOM 56 CD GLU A 4 67.786 -9.976 22.418 1.00 1.00 C ATOM 57 OE1 GLU A 4 66.946 -10.617 21.808 1.00 1.00 O ATOM 58 OE2 GLU A 4 67.522 -9.139 23.266 1.00 1.00 O ATOM 0 H GLU A 4 68.168 -8.080 22.182 1.00 1.00 H new ATOM 0 HA GLU A 4 70.513 -7.934 20.303 1.00 1.00 H new ATOM 0 HB2 GLU A 4 68.815 -10.277 19.985 1.00 1.00 H new ATOM 0 HB3 GLU A 4 70.527 -10.205 20.350 1.00 1.00 H new ATOM 0 HG2 GLU A 4 69.493 -11.291 22.247 1.00 1.00 H new ATOM 0 HG3 GLU A 4 69.894 -9.671 22.782 1.00 1.00 H new ATOM 65 N PRO A 5 68.931 -8.097 18.181 1.00 1.00 N ATOM 66 CA PRO A 5 68.084 -7.745 17.005 1.00 1.00 C ATOM 67 C PRO A 5 66.620 -8.168 17.202 1.00 1.00 C ATOM 68 O PRO A 5 66.348 -9.267 17.645 1.00 1.00 O ATOM 69 CB PRO A 5 68.722 -8.533 15.859 1.00 1.00 C ATOM 70 CG PRO A 5 70.158 -8.680 16.240 1.00 1.00 C ATOM 71 CD PRO A 5 70.213 -8.694 17.771 1.00 1.00 C ATOM 0 HA PRO A 5 68.050 -6.670 16.829 1.00 1.00 H new ATOM 0 HB2 PRO A 5 68.245 -9.505 15.736 1.00 1.00 H new ATOM 0 HB3 PRO A 5 68.618 -8.005 14.911 1.00 1.00 H new ATOM 0 HG2 PRO A 5 70.574 -9.600 15.830 1.00 1.00 H new ATOM 0 HG3 PRO A 5 70.750 -7.857 15.840 1.00 1.00 H new ATOM 0 HD2 PRO A 5 70.322 -9.708 18.157 1.00 1.00 H new ATOM 0 HD3 PRO A 5 71.059 -8.117 18.145 1.00 1.00 H new ATOM 79 N PRO A 6 65.680 -7.311 16.880 1.00 1.00 N ATOM 80 CA PRO A 6 64.230 -7.624 17.033 1.00 1.00 C ATOM 81 C PRO A 6 63.716 -8.552 15.926 1.00 1.00 C ATOM 82 O PRO A 6 63.926 -8.308 14.754 1.00 1.00 O ATOM 83 CB PRO A 6 63.559 -6.253 16.937 1.00 1.00 C ATOM 84 CG PRO A 6 64.473 -5.439 16.082 1.00 1.00 C ATOM 85 CD PRO A 6 65.892 -5.959 16.337 1.00 1.00 C ATOM 0 HA PRO A 6 64.022 -8.150 17.965 1.00 1.00 H new ATOM 0 HB2 PRO A 6 62.566 -6.329 16.494 1.00 1.00 H new ATOM 0 HB3 PRO A 6 63.435 -5.804 17.922 1.00 1.00 H new ATOM 0 HG2 PRO A 6 64.208 -5.537 15.029 1.00 1.00 H new ATOM 0 HG3 PRO A 6 64.397 -4.381 16.332 1.00 1.00 H new ATOM 0 HD2 PRO A 6 66.479 -5.984 15.419 1.00 1.00 H new ATOM 0 HD3 PRO A 6 66.430 -5.325 17.042 1.00 1.00 H new ATOM 93 N LYS A 7 63.038 -9.607 16.292 1.00 1.00 N ATOM 94 CA LYS A 7 62.501 -10.552 15.269 1.00 1.00 C ATOM 95 C LYS A 7 63.547 -10.786 14.173 1.00 1.00 C ATOM 96 O LYS A 7 64.708 -10.464 14.330 1.00 1.00 O ATOM 97 CB LYS A 7 61.225 -9.960 14.653 1.00 1.00 C ATOM 98 CG LYS A 7 60.012 -10.394 15.477 1.00 1.00 C ATOM 99 CD LYS A 7 59.587 -11.803 15.058 1.00 1.00 C ATOM 100 CE LYS A 7 59.060 -12.562 16.278 1.00 1.00 C ATOM 101 NZ LYS A 7 58.461 -13.854 15.838 1.00 1.00 N ATOM 0 H LYS A 7 62.832 -9.856 17.259 1.00 1.00 H new ATOM 0 HA LYS A 7 62.269 -11.505 15.743 1.00 1.00 H new ATOM 0 HB2 LYS A 7 61.291 -8.872 14.629 1.00 1.00 H new ATOM 0 HB3 LYS A 7 61.117 -10.296 13.622 1.00 1.00 H new ATOM 0 HG2 LYS A 7 60.256 -10.377 16.539 1.00 1.00 H new ATOM 0 HG3 LYS A 7 59.189 -9.695 15.328 1.00 1.00 H new ATOM 0 HD2 LYS A 7 58.816 -11.748 14.290 1.00 1.00 H new ATOM 0 HD3 LYS A 7 60.433 -12.335 14.623 1.00 1.00 H new ATOM 0 HE2 LYS A 7 59.870 -12.746 16.983 1.00 1.00 H new ATOM 0 HE3 LYS A 7 58.314 -11.962 16.799 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 58.103 -14.370 16.666 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 57.677 -13.667 15.181 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 59.185 -14.427 15.359 1.00 1.00 H new ATOM 115 N ALA A 8 63.142 -11.347 13.066 1.00 1.00 N ATOM 116 CA ALA A 8 64.107 -11.605 11.960 1.00 1.00 C ATOM 117 C ALA A 8 63.362 -12.218 10.772 1.00 1.00 C ATOM 118 O ALA A 8 63.961 -12.660 9.812 1.00 1.00 O ATOM 119 CB ALA A 8 65.188 -12.576 12.441 1.00 1.00 C ATOM 0 H ALA A 8 62.182 -11.638 12.880 1.00 1.00 H new ATOM 0 HA ALA A 8 64.573 -10.668 11.655 1.00 1.00 H new ATOM 0 HB1 ALA A 8 65.894 -12.765 11.632 1.00 1.00 H new ATOM 0 HB2 ALA A 8 65.716 -12.141 13.289 1.00 1.00 H new ATOM 0 HB3 ALA A 8 64.725 -13.515 12.745 1.00 1.00 H new ATOM 125 N GLU A 9 62.057 -12.249 10.831 1.00 1.00 N ATOM 126 CA GLU A 9 61.270 -12.835 9.708 1.00 1.00 C ATOM 127 C GLU A 9 60.921 -11.738 8.699 1.00 1.00 C ATOM 128 O GLU A 9 61.492 -11.662 7.629 1.00 1.00 O ATOM 129 CB GLU A 9 59.980 -13.448 10.258 1.00 1.00 C ATOM 130 CG GLU A 9 60.300 -14.770 10.959 1.00 1.00 C ATOM 131 CD GLU A 9 61.361 -14.533 12.036 1.00 1.00 C ATOM 132 OE1 GLU A 9 61.002 -14.047 13.096 1.00 1.00 O ATOM 133 OE2 GLU A 9 62.513 -14.842 11.783 1.00 1.00 O ATOM 0 H GLU A 9 61.502 -11.893 11.609 1.00 1.00 H new ATOM 0 HA GLU A 9 61.861 -13.607 9.215 1.00 1.00 H new ATOM 0 HB2 GLU A 9 59.507 -12.759 10.957 1.00 1.00 H new ATOM 0 HB3 GLU A 9 59.271 -13.616 9.448 1.00 1.00 H new ATOM 0 HG2 GLU A 9 59.397 -15.184 11.408 1.00 1.00 H new ATOM 0 HG3 GLU A 9 60.659 -15.501 10.234 1.00 1.00 H new ATOM 140 N CYS A 10 59.984 -10.889 9.032 1.00 1.00 N ATOM 141 CA CYS A 10 59.592 -9.797 8.095 1.00 1.00 C ATOM 142 C CYS A 10 59.371 -8.505 8.885 1.00 1.00 C ATOM 143 O CYS A 10 59.649 -8.432 10.065 1.00 1.00 O ATOM 144 CB CYS A 10 58.297 -10.183 7.377 1.00 1.00 C ATOM 145 SG CYS A 10 58.674 -11.331 6.029 1.00 1.00 S ATOM 0 H CYS A 10 59.473 -10.906 9.915 1.00 1.00 H new ATOM 0 HA CYS A 10 60.383 -9.645 7.361 1.00 1.00 H new ATOM 0 HB2 CYS A 10 57.603 -10.645 8.079 1.00 1.00 H new ATOM 0 HB3 CYS A 10 57.807 -9.292 6.984 1.00 1.00 H new ATOM 150 N ARG A 11 58.870 -7.485 8.239 1.00 1.00 N ATOM 151 CA ARG A 11 58.624 -6.193 8.945 1.00 1.00 C ATOM 152 C ARG A 11 57.256 -5.646 8.535 1.00 1.00 C ATOM 153 O ARG A 11 57.122 -4.965 7.538 1.00 1.00 O ATOM 154 CB ARG A 11 59.712 -5.185 8.560 1.00 1.00 C ATOM 155 CG ARG A 11 59.699 -4.014 9.544 1.00 1.00 C ATOM 156 CD ARG A 11 60.581 -4.349 10.749 1.00 1.00 C ATOM 157 NE ARG A 11 60.200 -3.482 11.899 1.00 1.00 N ATOM 158 CZ ARG A 11 60.658 -3.744 13.093 1.00 1.00 C ATOM 159 NH1 ARG A 11 61.449 -4.765 13.279 1.00 1.00 N ATOM 160 NH2 ARG A 11 60.325 -2.984 14.101 1.00 1.00 N ATOM 0 H ARG A 11 58.620 -7.491 7.250 1.00 1.00 H new ATOM 0 HA ARG A 11 58.645 -6.356 10.023 1.00 1.00 H new ATOM 0 HB2 ARG A 11 60.689 -5.669 8.568 1.00 1.00 H new ATOM 0 HB3 ARG A 11 59.544 -4.823 7.546 1.00 1.00 H new ATOM 0 HG2 ARG A 11 60.062 -3.110 9.055 1.00 1.00 H new ATOM 0 HG3 ARG A 11 58.679 -3.812 9.871 1.00 1.00 H new ATOM 0 HD2 ARG A 11 60.465 -5.399 11.017 1.00 1.00 H new ATOM 0 HD3 ARG A 11 61.631 -4.198 10.498 1.00 1.00 H new ATOM 0 HE ARG A 11 59.582 -2.684 11.753 1.00 1.00 H new ATOM 0 HH11 ARG A 11 61.710 -5.358 12.491 1.00 1.00 H new ATOM 0 HH12 ARG A 11 61.807 -4.970 14.212 1.00 1.00 H new ATOM 0 HH21 ARG A 11 59.707 -2.186 13.955 1.00 1.00 H new ATOM 0 HH22 ARG A 11 60.683 -3.189 15.034 1.00 1.00 H new ATOM 174 N SER A 12 56.237 -5.941 9.296 1.00 1.00 N ATOM 175 CA SER A 12 54.878 -5.440 8.950 1.00 1.00 C ATOM 176 C SER A 12 54.483 -5.952 7.562 1.00 1.00 C ATOM 177 O SER A 12 54.698 -7.100 7.229 1.00 1.00 O ATOM 178 CB SER A 12 54.881 -3.910 8.949 1.00 1.00 C ATOM 179 OG SER A 12 55.652 -3.443 10.047 1.00 1.00 O ATOM 0 H SER A 12 56.288 -6.508 10.143 1.00 1.00 H new ATOM 0 HA SER A 12 54.160 -5.800 9.687 1.00 1.00 H new ATOM 0 HB2 SER A 12 55.296 -3.536 8.013 1.00 1.00 H new ATOM 0 HB3 SER A 12 53.861 -3.532 9.019 1.00 1.00 H new ATOM 0 HG SER A 12 55.658 -2.463 10.049 1.00 1.00 H new ATOM 185 N ALA A 13 53.908 -5.107 6.750 1.00 1.00 N ATOM 186 CA ALA A 13 53.500 -5.544 5.385 1.00 1.00 C ATOM 187 C ALA A 13 53.413 -4.324 4.466 1.00 1.00 C ATOM 188 O ALA A 13 53.848 -4.357 3.332 1.00 1.00 O ATOM 189 CB ALA A 13 52.133 -6.228 5.455 1.00 1.00 C ATOM 0 H ALA A 13 53.703 -4.133 6.973 1.00 1.00 H new ATOM 0 HA ALA A 13 54.236 -6.245 4.992 1.00 1.00 H new ATOM 0 HB1 ALA A 13 51.835 -6.548 4.457 1.00 1.00 H new ATOM 0 HB2 ALA A 13 52.194 -7.096 6.111 1.00 1.00 H new ATOM 0 HB3 ALA A 13 51.395 -5.528 5.847 1.00 1.00 H new ATOM 195 N THR A 14 52.857 -3.246 4.947 1.00 1.00 N ATOM 196 CA THR A 14 52.745 -2.025 4.101 1.00 1.00 C ATOM 197 C THR A 14 54.112 -1.344 4.012 1.00 1.00 C ATOM 198 O THR A 14 54.381 -0.377 4.696 1.00 1.00 O ATOM 199 CB THR A 14 51.733 -1.062 4.726 1.00 1.00 C ATOM 200 OG1 THR A 14 51.996 0.258 4.272 1.00 1.00 O ATOM 201 CG2 THR A 14 51.851 -1.113 6.250 1.00 1.00 C ATOM 0 H THR A 14 52.476 -3.158 5.889 1.00 1.00 H new ATOM 0 HA THR A 14 52.410 -2.302 3.101 1.00 1.00 H new ATOM 0 HB THR A 14 50.724 -1.353 4.433 1.00 1.00 H new ATOM 0 HG1 THR A 14 52.854 0.564 4.634 1.00 1.00 H new ATOM 0 HG21 THR A 14 51.130 -0.427 6.694 1.00 1.00 H new ATOM 0 HG22 THR A 14 51.649 -2.126 6.597 1.00 1.00 H new ATOM 0 HG23 THR A 14 52.859 -0.822 6.547 1.00 1.00 H new ATOM 209 N ARG A 15 54.979 -1.842 3.172 1.00 1.00 N ATOM 210 CA ARG A 15 56.330 -1.226 3.037 1.00 1.00 C ATOM 211 C ARG A 15 56.193 0.293 2.926 1.00 1.00 C ATOM 212 O ARG A 15 55.733 0.814 1.929 1.00 1.00 O ATOM 213 CB ARG A 15 57.012 -1.772 1.780 1.00 1.00 C ATOM 214 CG ARG A 15 56.195 -1.389 0.544 1.00 1.00 C ATOM 215 CD ARG A 15 56.315 -2.491 -0.509 1.00 1.00 C ATOM 216 NE ARG A 15 55.459 -3.646 -0.119 1.00 1.00 N ATOM 217 CZ ARG A 15 55.689 -4.829 -0.622 1.00 1.00 C ATOM 218 NH1 ARG A 15 56.670 -4.999 -1.466 1.00 1.00 N ATOM 219 NH2 ARG A 15 54.939 -5.840 -0.280 1.00 1.00 N ATOM 0 H ARG A 15 54.810 -2.650 2.573 1.00 1.00 H new ATOM 0 HA ARG A 15 56.930 -1.470 3.913 1.00 1.00 H new ATOM 0 HB2 ARG A 15 58.022 -1.371 1.699 1.00 1.00 H new ATOM 0 HB3 ARG A 15 57.104 -2.856 1.846 1.00 1.00 H new ATOM 0 HG2 ARG A 15 55.150 -1.244 0.817 1.00 1.00 H new ATOM 0 HG3 ARG A 15 56.552 -0.443 0.138 1.00 1.00 H new ATOM 0 HD2 ARG A 15 56.010 -2.112 -1.484 1.00 1.00 H new ATOM 0 HD3 ARG A 15 57.353 -2.809 -0.601 1.00 1.00 H new ATOM 0 HE ARG A 15 54.693 -3.513 0.541 1.00 1.00 H new ATOM 0 HH11 ARG A 15 57.256 -4.208 -1.732 1.00 1.00 H new ATOM 0 HH12 ARG A 15 56.850 -5.923 -1.859 1.00 1.00 H new ATOM 0 HH21 ARG A 15 54.173 -5.706 0.380 1.00 1.00 H new ATOM 0 HH22 ARG A 15 55.119 -6.764 -0.673 1.00 1.00 H new ATOM 233 N VAL A 16 56.589 1.010 3.942 1.00 1.00 N ATOM 234 CA VAL A 16 56.481 2.494 3.894 1.00 1.00 C ATOM 235 C VAL A 16 57.596 3.059 3.010 1.00 1.00 C ATOM 236 O VAL A 16 58.767 2.849 3.258 1.00 1.00 O ATOM 237 CB VAL A 16 56.609 3.064 5.309 1.00 1.00 C ATOM 238 CG1 VAL A 16 57.949 2.638 5.912 1.00 1.00 C ATOM 239 CG2 VAL A 16 56.540 4.592 5.250 1.00 1.00 C ATOM 0 H VAL A 16 56.983 0.631 4.803 1.00 1.00 H new ATOM 0 HA VAL A 16 55.513 2.774 3.479 1.00 1.00 H new ATOM 0 HB VAL A 16 55.796 2.686 5.928 1.00 1.00 H new ATOM 0 HG11 VAL A 16 58.040 3.044 6.919 1.00 1.00 H new ATOM 0 HG12 VAL A 16 58.000 1.550 5.953 1.00 1.00 H new ATOM 0 HG13 VAL A 16 58.763 3.016 5.294 1.00 1.00 H new ATOM 0 HG21 VAL A 16 56.631 4.999 6.257 1.00 1.00 H new ATOM 0 HG22 VAL A 16 57.354 4.969 4.631 1.00 1.00 H new ATOM 0 HG23 VAL A 16 55.586 4.897 4.820 1.00 1.00 H new ATOM 249 N MET A 17 57.241 3.777 1.980 1.00 1.00 N ATOM 250 CA MET A 17 58.278 4.358 1.081 1.00 1.00 C ATOM 251 C MET A 17 57.617 5.357 0.127 1.00 1.00 C ATOM 252 O MET A 17 58.004 6.507 0.052 1.00 1.00 O ATOM 253 CB MET A 17 58.952 3.237 0.276 1.00 1.00 C ATOM 254 CG MET A 17 57.976 2.072 0.104 1.00 1.00 C ATOM 255 SD MET A 17 58.490 1.057 -1.304 1.00 1.00 S ATOM 256 CE MET A 17 60.142 0.642 -0.693 1.00 1.00 C ATOM 0 H MET A 17 56.277 3.987 1.722 1.00 1.00 H new ATOM 0 HA MET A 17 59.033 4.870 1.677 1.00 1.00 H new ATOM 0 HB2 MET A 17 59.262 3.612 -0.699 1.00 1.00 H new ATOM 0 HB3 MET A 17 59.852 2.898 0.788 1.00 1.00 H new ATOM 0 HG2 MET A 17 57.950 1.468 1.011 1.00 1.00 H new ATOM 0 HG3 MET A 17 56.966 2.450 -0.056 1.00 1.00 H new ATOM 0 HE1 MET A 17 60.494 -0.265 -1.184 1.00 1.00 H new ATOM 0 HE2 MET A 17 60.827 1.462 -0.910 1.00 1.00 H new ATOM 0 HE3 MET A 17 60.101 0.479 0.384 1.00 1.00 H new ATOM 266 N GLY A 18 56.622 4.930 -0.602 1.00 1.00 N ATOM 267 CA GLY A 18 55.940 5.858 -1.547 1.00 1.00 C ATOM 268 C GLY A 18 55.043 5.057 -2.493 1.00 1.00 C ATOM 269 O GLY A 18 55.165 5.144 -3.699 1.00 1.00 O ATOM 0 H GLY A 18 56.253 3.979 -0.584 1.00 1.00 H new ATOM 0 HA2 GLY A 18 55.345 6.585 -0.994 1.00 1.00 H new ATOM 0 HA3 GLY A 18 56.679 6.420 -2.118 1.00 1.00 H new ATOM 273 N GLY A 19 54.144 4.277 -1.959 1.00 1.00 N ATOM 274 CA GLY A 19 53.243 3.474 -2.833 1.00 1.00 C ATOM 275 C GLY A 19 54.083 2.511 -3.679 1.00 1.00 C ATOM 276 O GLY A 19 55.123 2.055 -3.252 1.00 1.00 O ATOM 0 H GLY A 19 53.994 4.161 -0.957 1.00 1.00 H new ATOM 0 HA2 GLY A 19 52.531 2.916 -2.225 1.00 1.00 H new ATOM 0 HA3 GLY A 19 52.663 4.133 -3.479 1.00 1.00 H new ATOM 280 N PRO A 20 53.633 2.205 -4.871 1.00 1.00 N ATOM 281 CA PRO A 20 54.358 1.280 -5.796 1.00 1.00 C ATOM 282 C PRO A 20 55.831 1.673 -5.979 1.00 1.00 C ATOM 283 O PRO A 20 56.541 1.911 -5.022 1.00 1.00 O ATOM 284 CB PRO A 20 53.590 1.415 -7.117 1.00 1.00 C ATOM 285 CG PRO A 20 52.217 1.849 -6.725 1.00 1.00 C ATOM 286 CD PRO A 20 52.381 2.701 -5.465 1.00 1.00 C ATOM 0 HA PRO A 20 54.386 0.260 -5.413 1.00 1.00 H new ATOM 0 HB2 PRO A 20 54.062 2.145 -7.775 1.00 1.00 H new ATOM 0 HB3 PRO A 20 53.565 0.469 -7.657 1.00 1.00 H new ATOM 0 HG2 PRO A 20 51.747 2.423 -7.524 1.00 1.00 H new ATOM 0 HG3 PRO A 20 51.577 0.988 -6.532 1.00 1.00 H new ATOM 0 HD2 PRO A 20 52.444 3.763 -5.704 1.00 1.00 H new ATOM 0 HD3 PRO A 20 51.538 2.577 -4.785 1.00 1.00 H new ATOM 294 N CYS A 21 56.297 1.738 -7.199 1.00 1.00 N ATOM 295 CA CYS A 21 57.721 2.112 -7.441 1.00 1.00 C ATOM 296 C CYS A 21 57.785 3.242 -8.471 1.00 1.00 C ATOM 297 O CYS A 21 57.747 3.012 -9.664 1.00 1.00 O ATOM 298 CB CYS A 21 58.486 0.893 -7.967 1.00 1.00 C ATOM 299 SG CYS A 21 59.354 0.088 -6.597 1.00 1.00 S ATOM 0 H CYS A 21 55.751 1.548 -8.039 1.00 1.00 H new ATOM 0 HA CYS A 21 58.173 2.448 -6.508 1.00 1.00 H new ATOM 0 HB2 CYS A 21 57.796 0.192 -8.436 1.00 1.00 H new ATOM 0 HB3 CYS A 21 59.198 1.200 -8.733 1.00 1.00 H new ATOM 304 N THR A 22 57.887 4.462 -8.018 1.00 1.00 N ATOM 305 CA THR A 22 57.961 5.611 -8.966 1.00 1.00 C ATOM 306 C THR A 22 59.433 5.910 -9.274 1.00 1.00 C ATOM 307 O THR A 22 60.306 5.634 -8.476 1.00 1.00 O ATOM 308 CB THR A 22 57.310 6.841 -8.322 1.00 1.00 C ATOM 309 OG1 THR A 22 57.579 6.841 -6.927 1.00 1.00 O ATOM 310 CG2 THR A 22 55.798 6.800 -8.552 1.00 1.00 C ATOM 0 H THR A 22 57.922 4.713 -7.030 1.00 1.00 H new ATOM 0 HA THR A 22 57.436 5.366 -9.889 1.00 1.00 H new ATOM 0 HB THR A 22 57.719 7.746 -8.771 1.00 1.00 H new ATOM 0 HG1 THR A 22 57.165 7.627 -6.514 1.00 1.00 H new ATOM 0 HG21 THR A 22 55.336 7.675 -8.094 1.00 1.00 H new ATOM 0 HG22 THR A 22 55.593 6.800 -9.622 1.00 1.00 H new ATOM 0 HG23 THR A 22 55.386 5.896 -8.104 1.00 1.00 H new ATOM 318 N PRO A 23 59.707 6.472 -10.423 1.00 1.00 N ATOM 319 CA PRO A 23 61.101 6.814 -10.837 1.00 1.00 C ATOM 320 C PRO A 23 61.722 7.883 -9.931 1.00 1.00 C ATOM 321 O PRO A 23 61.829 9.037 -10.296 1.00 1.00 O ATOM 322 CB PRO A 23 60.946 7.336 -12.273 1.00 1.00 C ATOM 323 CG PRO A 23 59.517 7.752 -12.393 1.00 1.00 C ATOM 324 CD PRO A 23 58.723 6.848 -11.449 1.00 1.00 C ATOM 0 HA PRO A 23 61.769 5.956 -10.766 1.00 1.00 H new ATOM 0 HB2 PRO A 23 61.616 8.175 -12.460 1.00 1.00 H new ATOM 0 HB3 PRO A 23 61.192 6.563 -13.001 1.00 1.00 H new ATOM 0 HG2 PRO A 23 59.394 8.800 -12.122 1.00 1.00 H new ATOM 0 HG3 PRO A 23 59.166 7.645 -13.419 1.00 1.00 H new ATOM 0 HD2 PRO A 23 57.871 7.371 -11.015 1.00 1.00 H new ATOM 0 HD3 PRO A 23 58.330 5.973 -11.967 1.00 1.00 H new ATOM 332 N ARG A 24 62.130 7.504 -8.751 1.00 1.00 N ATOM 333 CA ARG A 24 62.743 8.491 -7.818 1.00 1.00 C ATOM 334 C ARG A 24 61.810 9.694 -7.660 1.00 1.00 C ATOM 335 O ARG A 24 60.805 9.807 -8.334 1.00 1.00 O ATOM 336 CB ARG A 24 64.091 8.954 -8.375 1.00 1.00 C ATOM 337 CG ARG A 24 65.094 7.801 -8.308 1.00 1.00 C ATOM 338 CD ARG A 24 66.489 8.315 -8.669 1.00 1.00 C ATOM 339 NE ARG A 24 67.442 7.171 -8.721 1.00 1.00 N ATOM 340 CZ ARG A 24 67.923 6.672 -7.615 1.00 1.00 C ATOM 341 NH1 ARG A 24 67.569 7.175 -6.464 1.00 1.00 N ATOM 342 NH2 ARG A 24 68.758 5.670 -7.660 1.00 1.00 N ATOM 0 H ARG A 24 62.065 6.551 -8.392 1.00 1.00 H new ATOM 0 HA ARG A 24 62.897 8.024 -6.845 1.00 1.00 H new ATOM 0 HB2 ARG A 24 63.975 9.289 -9.406 1.00 1.00 H new ATOM 0 HB3 ARG A 24 64.460 9.805 -7.802 1.00 1.00 H new ATOM 0 HG2 ARG A 24 65.102 7.370 -7.307 1.00 1.00 H new ATOM 0 HG3 ARG A 24 64.798 7.008 -8.995 1.00 1.00 H new ATOM 0 HD2 ARG A 24 66.463 8.824 -9.632 1.00 1.00 H new ATOM 0 HD3 ARG A 24 66.821 9.046 -7.931 1.00 1.00 H new ATOM 0 HE ARG A 24 67.718 6.778 -9.621 1.00 1.00 H new ATOM 0 HH11 ARG A 24 66.916 7.958 -6.429 1.00 1.00 H new ATOM 0 HH12 ARG A 24 67.945 6.785 -5.600 1.00 1.00 H new ATOM 0 HH21 ARG A 24 69.035 5.277 -8.560 1.00 1.00 H new ATOM 0 HH22 ARG A 24 69.134 5.280 -6.796 1.00 1.00 H new ATOM 356 N LYS A 25 62.133 10.594 -6.772 1.00 1.00 N ATOM 357 CA LYS A 25 61.264 11.789 -6.569 1.00 1.00 C ATOM 358 C LYS A 25 61.667 12.888 -7.554 1.00 1.00 C ATOM 359 O LYS A 25 61.070 13.044 -8.600 1.00 1.00 O ATOM 360 CB LYS A 25 61.427 12.301 -5.135 1.00 1.00 C ATOM 361 CG LYS A 25 61.189 11.154 -4.151 1.00 1.00 C ATOM 362 CD LYS A 25 59.716 10.742 -4.193 1.00 1.00 C ATOM 363 CE LYS A 25 59.589 9.366 -4.849 1.00 1.00 C ATOM 364 NZ LYS A 25 60.395 8.374 -4.083 1.00 1.00 N ATOM 0 H LYS A 25 62.961 10.554 -6.178 1.00 1.00 H new ATOM 0 HA LYS A 25 60.223 11.514 -6.740 1.00 1.00 H new ATOM 0 HB2 LYS A 25 62.427 12.711 -4.996 1.00 1.00 H new ATOM 0 HB3 LYS A 25 60.721 13.110 -4.944 1.00 1.00 H new ATOM 0 HG2 LYS A 25 61.822 10.305 -4.406 1.00 1.00 H new ATOM 0 HG3 LYS A 25 61.462 11.464 -3.142 1.00 1.00 H new ATOM 0 HD2 LYS A 25 59.306 10.714 -3.183 1.00 1.00 H new ATOM 0 HD3 LYS A 25 59.137 11.478 -4.752 1.00 1.00 H new ATOM 0 HE2 LYS A 25 58.544 9.059 -4.875 1.00 1.00 H new ATOM 0 HE3 LYS A 25 59.934 9.411 -5.882 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 59.904 7.457 -4.078 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 61.328 8.265 -4.530 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 60.517 8.706 -3.105 1.00 1.00 H new ATOM 378 N GLY A 26 62.675 13.651 -7.231 1.00 1.00 N ATOM 379 CA GLY A 26 63.109 14.738 -8.154 1.00 1.00 C ATOM 380 C GLY A 26 63.998 14.148 -9.253 1.00 1.00 C ATOM 381 O GLY A 26 64.548 13.075 -9.102 1.00 1.00 O ATOM 0 H GLY A 26 63.216 13.569 -6.370 1.00 1.00 H new ATOM 0 HA2 GLY A 26 62.239 15.223 -8.596 1.00 1.00 H new ATOM 0 HA3 GLY A 26 63.654 15.503 -7.601 1.00 1.00 H new ATOM 385 N PRO A 27 64.141 14.845 -10.351 1.00 1.00 N ATOM 386 CA PRO A 27 64.981 14.380 -11.491 1.00 1.00 C ATOM 387 C PRO A 27 66.344 13.846 -11.021 1.00 1.00 C ATOM 388 O PRO A 27 66.953 14.404 -10.131 1.00 1.00 O ATOM 389 CB PRO A 27 65.168 15.641 -12.339 1.00 1.00 C ATOM 390 CG PRO A 27 63.976 16.492 -12.047 1.00 1.00 C ATOM 391 CD PRO A 27 63.520 16.151 -10.625 1.00 1.00 C ATOM 0 HA PRO A 27 64.516 13.556 -12.031 1.00 1.00 H new ATOM 0 HB2 PRO A 27 66.093 16.156 -12.079 1.00 1.00 H new ATOM 0 HB3 PRO A 27 65.227 15.397 -13.400 1.00 1.00 H new ATOM 0 HG2 PRO A 27 64.228 17.549 -12.128 1.00 1.00 H new ATOM 0 HG3 PRO A 27 63.179 16.298 -12.765 1.00 1.00 H new ATOM 0 HD2 PRO A 27 63.847 16.906 -9.910 1.00 1.00 H new ATOM 0 HD3 PRO A 27 62.433 16.098 -10.557 1.00 1.00 H new ATOM 399 N PRO A 28 66.825 12.781 -11.615 1.00 1.00 N ATOM 400 CA PRO A 28 68.138 12.189 -11.241 1.00 1.00 C ATOM 401 C PRO A 28 69.197 13.266 -10.984 1.00 1.00 C ATOM 402 O PRO A 28 69.345 14.197 -11.751 1.00 1.00 O ATOM 403 CB PRO A 28 68.509 11.349 -12.463 1.00 1.00 C ATOM 404 CG PRO A 28 67.203 10.946 -13.069 1.00 1.00 C ATOM 405 CD PRO A 28 66.180 12.029 -12.703 1.00 1.00 C ATOM 0 HA PRO A 28 68.084 11.613 -10.318 1.00 1.00 H new ATOM 0 HB2 PRO A 28 69.110 11.923 -13.168 1.00 1.00 H new ATOM 0 HB3 PRO A 28 69.097 10.477 -12.178 1.00 1.00 H new ATOM 0 HG2 PRO A 28 67.294 10.852 -14.151 1.00 1.00 H new ATOM 0 HG3 PRO A 28 66.887 9.974 -12.690 1.00 1.00 H new ATOM 0 HD2 PRO A 28 65.959 12.672 -13.555 1.00 1.00 H new ATOM 0 HD3 PRO A 28 65.235 11.592 -12.380 1.00 1.00 H new ATOM 413 N LYS A 29 69.933 13.148 -9.911 1.00 1.00 N ATOM 414 CA LYS A 29 70.980 14.167 -9.605 1.00 1.00 C ATOM 415 C LYS A 29 72.254 13.461 -9.135 1.00 1.00 C ATOM 416 O LYS A 29 72.205 12.455 -8.457 1.00 1.00 O ATOM 417 CB LYS A 29 70.467 15.107 -8.502 1.00 1.00 C ATOM 418 CG LYS A 29 70.925 16.538 -8.792 1.00 1.00 C ATOM 419 CD LYS A 29 69.959 17.193 -9.781 1.00 1.00 C ATOM 420 CE LYS A 29 70.613 18.438 -10.384 1.00 1.00 C ATOM 421 NZ LYS A 29 69.719 19.010 -11.430 1.00 1.00 N ATOM 0 H LYS A 29 69.855 12.390 -9.233 1.00 1.00 H new ATOM 0 HA LYS A 29 71.201 14.748 -10.500 1.00 1.00 H new ATOM 0 HB2 LYS A 29 69.379 15.066 -8.452 1.00 1.00 H new ATOM 0 HB3 LYS A 29 70.843 14.784 -7.531 1.00 1.00 H new ATOM 0 HG2 LYS A 29 70.961 17.114 -7.867 1.00 1.00 H new ATOM 0 HG3 LYS A 29 71.934 16.532 -9.203 1.00 1.00 H new ATOM 0 HD2 LYS A 29 69.697 16.489 -10.570 1.00 1.00 H new ATOM 0 HD3 LYS A 29 69.032 17.465 -9.275 1.00 1.00 H new ATOM 0 HE2 LYS A 29 70.799 19.178 -9.605 1.00 1.00 H new ATOM 0 HE3 LYS A 29 71.580 18.181 -10.817 1.00 1.00 H new ATOM 0 HZ1 LYS A 29 70.162 19.856 -11.841 1.00 1.00 H new ATOM 0 HZ2 LYS A 29 69.563 18.304 -12.177 1.00 1.00 H new ATOM 0 HZ3 LYS A 29 68.807 19.270 -11.003 1.00 1.00 H new ATOM 435 N CYS A 30 73.396 13.985 -9.492 1.00 1.00 N ATOM 436 CA CYS A 30 74.677 13.352 -9.069 1.00 1.00 C ATOM 437 C CYS A 30 74.812 11.978 -9.728 1.00 1.00 C ATOM 438 O CYS A 30 75.175 11.008 -9.092 1.00 1.00 O ATOM 439 CB CYS A 30 74.692 13.193 -7.546 1.00 1.00 C ATOM 440 SG CYS A 30 73.825 14.587 -6.783 1.00 1.00 S ATOM 0 H CYS A 30 73.496 14.826 -10.060 1.00 1.00 H new ATOM 0 HA CYS A 30 75.511 13.984 -9.375 1.00 1.00 H new ATOM 0 HB2 CYS A 30 74.214 12.255 -7.263 1.00 1.00 H new ATOM 0 HB3 CYS A 30 75.719 13.149 -7.185 1.00 1.00 H new ATOM 445 N LYS A 31 74.531 11.884 -10.999 1.00 1.00 N ATOM 446 CA LYS A 31 74.654 10.570 -11.688 1.00 1.00 C ATOM 447 C LYS A 31 76.089 10.061 -11.536 1.00 1.00 C ATOM 448 O LYS A 31 76.491 9.619 -10.479 1.00 1.00 O ATOM 449 CB LYS A 31 74.317 10.736 -13.173 1.00 1.00 C ATOM 450 CG LYS A 31 74.858 12.077 -13.674 1.00 1.00 C ATOM 451 CD LYS A 31 74.855 12.090 -15.204 1.00 1.00 C ATOM 452 CE LYS A 31 75.180 13.499 -15.703 1.00 1.00 C ATOM 453 NZ LYS A 31 73.961 14.351 -15.613 1.00 1.00 N ATOM 0 H LYS A 31 74.223 12.658 -11.588 1.00 1.00 H new ATOM 0 HA LYS A 31 73.963 9.853 -11.245 1.00 1.00 H new ATOM 0 HB2 LYS A 31 74.752 9.919 -13.749 1.00 1.00 H new ATOM 0 HB3 LYS A 31 73.238 10.690 -13.319 1.00 1.00 H new ATOM 0 HG2 LYS A 31 74.246 12.894 -13.292 1.00 1.00 H new ATOM 0 HG3 LYS A 31 75.870 12.235 -13.301 1.00 1.00 H new ATOM 0 HD2 LYS A 31 75.588 11.379 -15.586 1.00 1.00 H new ATOM 0 HD3 LYS A 31 73.881 11.776 -15.579 1.00 1.00 H new ATOM 0 HE2 LYS A 31 75.984 13.931 -15.107 1.00 1.00 H new ATOM 0 HE3 LYS A 31 75.534 13.459 -16.733 1.00 1.00 H new ATOM 0 HZ1 LYS A 31 74.136 15.258 -16.090 1.00 1.00 H new ATOM 0 HZ2 LYS A 31 73.164 13.866 -16.072 1.00 1.00 H new ATOM 0 HZ3 LYS A 31 73.731 14.524 -14.614 1.00 1.00 H new ATOM 467 N GLN A 32 76.863 10.127 -12.585 1.00 1.00 N ATOM 468 CA GLN A 32 78.278 9.655 -12.510 1.00 1.00 C ATOM 469 C GLN A 32 79.217 10.848 -12.711 1.00 1.00 C ATOM 470 O GLN A 32 78.967 11.932 -12.224 1.00 1.00 O ATOM 471 CB GLN A 32 78.524 8.609 -13.605 1.00 1.00 C ATOM 472 CG GLN A 32 79.645 7.664 -13.168 1.00 1.00 C ATOM 473 CD GLN A 32 79.880 6.613 -14.255 1.00 1.00 C ATOM 474 OE1 GLN A 32 79.192 6.672 -15.362 1.00 1.00 O flip ATOM 475 NE2 GLN A 32 80.699 5.730 -14.095 1.00 1.00 N flip ATOM 0 H GLN A 32 76.576 10.489 -13.495 1.00 1.00 H new ATOM 0 HA GLN A 32 78.467 9.205 -11.535 1.00 1.00 H new ATOM 0 HB2 GLN A 32 77.611 8.044 -13.794 1.00 1.00 H new ATOM 0 HB3 GLN A 32 78.793 9.102 -14.539 1.00 1.00 H new ATOM 0 HG2 GLN A 32 80.561 8.227 -12.988 1.00 1.00 H new ATOM 0 HG3 GLN A 32 79.380 7.178 -12.229 1.00 1.00 H new ATOM 0 HE21 GLN A 32 81.237 5.684 -13.230 1.00 1.00 H new ATOM 0 HE22 GLN A 32 80.849 5.035 -14.826 1.00 1.00 H new ATOM 484 N ARG A 33 80.294 10.656 -13.425 1.00 1.00 N ATOM 485 CA ARG A 33 81.255 11.775 -13.663 1.00 1.00 C ATOM 486 C ARG A 33 81.867 12.233 -12.337 1.00 1.00 C ATOM 487 O ARG A 33 82.943 12.796 -12.303 1.00 1.00 O ATOM 488 CB ARG A 33 80.530 12.952 -14.324 1.00 1.00 C ATOM 489 CG ARG A 33 79.660 12.438 -15.473 1.00 1.00 C ATOM 490 CD ARG A 33 79.064 13.624 -16.233 1.00 1.00 C ATOM 491 NE ARG A 33 78.549 13.160 -17.552 1.00 1.00 N ATOM 492 CZ ARG A 33 79.382 12.887 -18.518 1.00 1.00 C ATOM 493 NH1 ARG A 33 80.666 13.020 -18.329 1.00 1.00 N ATOM 494 NH2 ARG A 33 78.931 12.481 -19.673 1.00 1.00 N ATOM 0 H ARG A 33 80.552 9.768 -13.856 1.00 1.00 H new ATOM 0 HA ARG A 33 82.049 11.422 -14.321 1.00 1.00 H new ATOM 0 HB2 ARG A 33 79.912 13.470 -13.590 1.00 1.00 H new ATOM 0 HB3 ARG A 33 81.255 13.675 -14.698 1.00 1.00 H new ATOM 0 HG2 ARG A 33 80.256 11.823 -16.147 1.00 1.00 H new ATOM 0 HG3 ARG A 33 78.863 11.804 -15.084 1.00 1.00 H new ATOM 0 HD2 ARG A 33 78.258 14.073 -15.653 1.00 1.00 H new ATOM 0 HD3 ARG A 33 79.821 14.395 -16.377 1.00 1.00 H new ATOM 0 HE ARG A 33 77.545 13.056 -17.700 1.00 1.00 H new ATOM 0 HH11 ARG A 33 81.018 13.337 -17.426 1.00 1.00 H new ATOM 0 HH12 ARG A 33 81.317 12.807 -19.084 1.00 1.00 H new ATOM 0 HH21 ARG A 33 77.927 12.377 -19.821 1.00 1.00 H new ATOM 0 HH22 ARG A 33 79.582 12.268 -20.428 1.00 1.00 H new ATOM 508 N GLN A 34 81.193 12.000 -11.244 1.00 1.00 N ATOM 509 CA GLN A 34 81.741 12.424 -9.923 1.00 1.00 C ATOM 510 C GLN A 34 82.513 11.262 -9.296 1.00 1.00 C ATOM 511 O GLN A 34 82.194 10.109 -9.504 1.00 1.00 O ATOM 512 CB GLN A 34 80.590 12.827 -9.001 1.00 1.00 C ATOM 513 CG GLN A 34 81.153 13.314 -7.664 1.00 1.00 C ATOM 514 CD GLN A 34 80.044 13.998 -6.862 1.00 1.00 C ATOM 515 OE1 GLN A 34 80.297 14.571 -5.821 1.00 1.00 O ATOM 516 NE2 GLN A 34 78.817 13.962 -7.305 1.00 1.00 N ATOM 0 H GLN A 34 80.286 11.534 -11.208 1.00 1.00 H new ATOM 0 HA GLN A 34 82.411 13.273 -10.062 1.00 1.00 H new ATOM 0 HB2 GLN A 34 79.996 13.614 -9.466 1.00 1.00 H new ATOM 0 HB3 GLN A 34 79.925 11.979 -8.840 1.00 1.00 H new ATOM 0 HG2 GLN A 34 81.559 12.474 -7.100 1.00 1.00 H new ATOM 0 HG3 GLN A 34 81.975 14.010 -7.835 1.00 1.00 H new ATOM 0 HE21 GLN A 34 78.604 13.481 -8.179 1.00 1.00 H new ATOM 0 HE22 GLN A 34 78.071 14.415 -6.777 1.00 1.00 H new ATOM 525 N THR A 35 83.527 11.556 -8.528 1.00 1.00 N ATOM 526 CA THR A 35 84.315 10.466 -7.888 1.00 1.00 C ATOM 527 C THR A 35 83.625 10.036 -6.593 1.00 1.00 C ATOM 528 O THR A 35 82.415 10.065 -6.484 1.00 1.00 O ATOM 529 CB THR A 35 85.724 10.972 -7.571 1.00 1.00 C ATOM 530 OG1 THR A 35 85.649 11.979 -6.572 1.00 1.00 O ATOM 531 CG2 THR A 35 86.357 11.551 -8.837 1.00 1.00 C ATOM 0 H THR A 35 83.843 12.503 -8.317 1.00 1.00 H new ATOM 0 HA THR A 35 84.380 9.616 -8.567 1.00 1.00 H new ATOM 0 HB THR A 35 86.335 10.145 -7.209 1.00 1.00 H new ATOM 0 HG1 THR A 35 86.551 12.303 -6.366 1.00 1.00 H new ATOM 0 HG21 THR A 35 87.360 11.911 -8.610 1.00 1.00 H new ATOM 0 HG22 THR A 35 86.414 10.777 -9.602 1.00 1.00 H new ATOM 0 HG23 THR A 35 85.749 12.378 -9.202 1.00 1.00 H new ATOM 539 N ARG A 36 84.383 9.637 -5.611 1.00 1.00 N ATOM 540 CA ARG A 36 83.770 9.207 -4.324 1.00 1.00 C ATOM 541 C ARG A 36 84.871 8.982 -3.288 1.00 1.00 C ATOM 542 O ARG A 36 84.715 8.209 -2.367 1.00 1.00 O ATOM 543 CB ARG A 36 82.994 7.905 -4.537 1.00 1.00 C ATOM 544 CG ARG A 36 83.897 6.877 -5.222 1.00 1.00 C ATOM 545 CD ARG A 36 83.078 5.636 -5.580 1.00 1.00 C ATOM 546 NE ARG A 36 83.907 4.716 -6.409 1.00 1.00 N ATOM 547 CZ ARG A 36 83.488 3.506 -6.659 1.00 1.00 C ATOM 548 NH1 ARG A 36 82.343 3.101 -6.182 1.00 1.00 N ATOM 549 NH2 ARG A 36 84.214 2.701 -7.385 1.00 1.00 N ATOM 0 H ARG A 36 85.401 9.590 -5.644 1.00 1.00 H new ATOM 0 HA ARG A 36 83.089 9.980 -3.969 1.00 1.00 H new ATOM 0 HB2 ARG A 36 82.645 7.517 -3.580 1.00 1.00 H new ATOM 0 HB3 ARG A 36 82.110 8.092 -5.147 1.00 1.00 H new ATOM 0 HG2 ARG A 36 84.338 7.307 -6.122 1.00 1.00 H new ATOM 0 HG3 ARG A 36 84.721 6.604 -4.562 1.00 1.00 H new ATOM 0 HD2 ARG A 36 82.750 5.129 -4.672 1.00 1.00 H new ATOM 0 HD3 ARG A 36 82.180 5.925 -6.126 1.00 1.00 H new ATOM 0 HE ARG A 36 84.802 5.032 -6.781 1.00 1.00 H new ATOM 0 HH11 ARG A 36 81.776 3.730 -5.614 1.00 1.00 H new ATOM 0 HH12 ARG A 36 82.015 2.155 -6.377 1.00 1.00 H new ATOM 0 HH21 ARG A 36 85.109 3.018 -7.757 1.00 1.00 H new ATOM 0 HH22 ARG A 36 83.886 1.755 -7.580 1.00 1.00 H new ATOM 563 N GLN A 37 85.982 9.654 -3.436 1.00 1.00 N ATOM 564 CA GLN A 37 87.104 9.489 -2.464 1.00 1.00 C ATOM 565 C GLN A 37 87.809 8.151 -2.711 1.00 1.00 C ATOM 566 O GLN A 37 88.170 7.829 -3.825 1.00 1.00 O ATOM 567 CB GLN A 37 86.562 9.533 -1.029 1.00 1.00 C ATOM 568 CG GLN A 37 87.690 9.918 -0.069 1.00 1.00 C ATOM 569 CD GLN A 37 88.065 11.385 -0.284 1.00 1.00 C ATOM 570 OE1 GLN A 37 87.126 12.256 -0.536 1.00 1.00 O flip ATOM 571 NE2 GLN A 37 89.224 11.744 -0.222 1.00 1.00 N flip ATOM 0 H GLN A 37 86.162 10.314 -4.193 1.00 1.00 H new ATOM 0 HA GLN A 37 87.817 10.302 -2.600 1.00 1.00 H new ATOM 0 HB2 GLN A 37 85.748 10.254 -0.958 1.00 1.00 H new ATOM 0 HB3 GLN A 37 86.152 8.561 -0.754 1.00 1.00 H new ATOM 0 HG2 GLN A 37 87.374 9.760 0.962 1.00 1.00 H new ATOM 0 HG3 GLN A 37 88.558 9.281 -0.238 1.00 1.00 H new ATOM 0 HE21 GLN A 37 89.959 11.064 -0.025 1.00 1.00 H new ATOM 0 HE22 GLN A 37 89.462 12.725 -0.367 1.00 1.00 H new ATOM 580 N CYS A 38 88.014 7.374 -1.677 1.00 1.00 N ATOM 581 CA CYS A 38 88.703 6.060 -1.845 1.00 1.00 C ATOM 582 C CYS A 38 88.228 5.391 -3.138 1.00 1.00 C ATOM 583 O CYS A 38 87.204 4.737 -3.172 1.00 1.00 O ATOM 584 CB CYS A 38 88.383 5.153 -0.647 1.00 1.00 C ATOM 585 SG CYS A 38 87.584 6.128 0.652 1.00 1.00 S ATOM 0 H CYS A 38 87.733 7.595 -0.722 1.00 1.00 H new ATOM 0 HA CYS A 38 89.780 6.222 -1.898 1.00 1.00 H new ATOM 0 HB2 CYS A 38 87.730 4.338 -0.959 1.00 1.00 H new ATOM 0 HB3 CYS A 38 89.298 4.700 -0.266 1.00 1.00 H new ATOM 590 N LYS A 39 88.966 5.549 -4.205 1.00 1.00 N ATOM 591 CA LYS A 39 88.562 4.922 -5.498 1.00 1.00 C ATOM 592 C LYS A 39 89.373 3.643 -5.716 1.00 1.00 C ATOM 593 O LYS A 39 89.019 2.799 -6.516 1.00 1.00 O ATOM 594 CB LYS A 39 88.830 5.901 -6.647 1.00 1.00 C ATOM 595 CG LYS A 39 90.311 6.286 -6.664 1.00 1.00 C ATOM 596 CD LYS A 39 90.468 7.734 -6.195 1.00 1.00 C ATOM 597 CE LYS A 39 89.791 8.672 -7.196 1.00 1.00 C ATOM 598 NZ LYS A 39 88.513 9.177 -6.618 1.00 1.00 N ATOM 0 H LYS A 39 89.833 6.086 -4.237 1.00 1.00 H new ATOM 0 HA LYS A 39 87.500 4.679 -5.470 1.00 1.00 H new ATOM 0 HB2 LYS A 39 88.552 5.446 -7.597 1.00 1.00 H new ATOM 0 HB3 LYS A 39 88.214 6.793 -6.529 1.00 1.00 H new ATOM 0 HG2 LYS A 39 90.878 5.619 -6.015 1.00 1.00 H new ATOM 0 HG3 LYS A 39 90.716 6.173 -7.670 1.00 1.00 H new ATOM 0 HD2 LYS A 39 90.024 7.857 -5.207 1.00 1.00 H new ATOM 0 HD3 LYS A 39 91.525 7.985 -6.103 1.00 1.00 H new ATOM 0 HE2 LYS A 39 90.451 9.507 -7.432 1.00 1.00 H new ATOM 0 HE3 LYS A 39 89.597 8.145 -8.130 1.00 1.00 H new ATOM 0 HZ1 LYS A 39 87.711 8.731 -7.107 1.00 1.00 H new ATOM 0 HZ2 LYS A 39 88.474 8.944 -5.605 1.00 1.00 H new ATOM 0 HZ3 LYS A 39 88.461 10.209 -6.738 1.00 1.00 H new ATOM 612 N SER A 40 90.463 3.498 -5.013 1.00 1.00 N ATOM 613 CA SER A 40 91.302 2.279 -5.180 1.00 1.00 C ATOM 614 C SER A 40 90.517 1.045 -4.729 1.00 1.00 C ATOM 615 O SER A 40 89.349 1.124 -4.404 1.00 1.00 O ATOM 616 CB SER A 40 92.568 2.413 -4.333 1.00 1.00 C ATOM 617 OG SER A 40 93.384 1.266 -4.524 1.00 1.00 O ATOM 0 H SER A 40 90.808 4.172 -4.330 1.00 1.00 H new ATOM 0 HA SER A 40 91.573 2.170 -6.230 1.00 1.00 H new ATOM 0 HB2 SER A 40 93.114 3.313 -4.615 1.00 1.00 H new ATOM 0 HB3 SER A 40 92.306 2.516 -3.280 1.00 1.00 H new ATOM 0 HG SER A 40 94.197 1.350 -3.984 1.00 1.00 H new ATOM 623 N LYS A 41 91.154 -0.095 -4.711 1.00 1.00 N ATOM 624 CA LYS A 41 90.459 -1.345 -4.287 1.00 1.00 C ATOM 625 C LYS A 41 91.392 -2.161 -3.386 1.00 1.00 C ATOM 626 O LYS A 41 92.065 -3.064 -3.843 1.00 1.00 O ATOM 627 CB LYS A 41 90.107 -2.173 -5.525 1.00 1.00 C ATOM 628 CG LYS A 41 89.468 -1.269 -6.581 1.00 1.00 C ATOM 629 CD LYS A 41 89.192 -2.081 -7.849 1.00 1.00 C ATOM 630 CE LYS A 41 88.817 -1.134 -8.990 1.00 1.00 C ATOM 631 NZ LYS A 41 88.537 -1.926 -10.221 1.00 1.00 N ATOM 0 H LYS A 41 92.132 -0.215 -4.974 1.00 1.00 H new ATOM 0 HA LYS A 41 89.549 -1.091 -3.743 1.00 1.00 H new ATOM 0 HB2 LYS A 41 91.004 -2.643 -5.928 1.00 1.00 H new ATOM 0 HB3 LYS A 41 89.421 -2.976 -5.255 1.00 1.00 H new ATOM 0 HG2 LYS A 41 88.539 -0.845 -6.198 1.00 1.00 H new ATOM 0 HG3 LYS A 41 90.130 -0.433 -6.808 1.00 1.00 H new ATOM 0 HD2 LYS A 41 90.073 -2.663 -8.120 1.00 1.00 H new ATOM 0 HD3 LYS A 41 88.384 -2.790 -7.671 1.00 1.00 H new ATOM 0 HE2 LYS A 41 87.941 -0.546 -8.716 1.00 1.00 H new ATOM 0 HE3 LYS A 41 89.629 -0.430 -9.174 1.00 1.00 H new ATOM 0 HZ1 LYS A 41 88.282 -1.283 -10.997 1.00 1.00 H new ATOM 0 HZ2 LYS A 41 89.384 -2.468 -10.485 1.00 1.00 H new ATOM 0 HZ3 LYS A 41 87.749 -2.581 -10.041 1.00 1.00 H new ATOM 645 N PRO A 42 91.439 -1.848 -2.115 1.00 1.00 N ATOM 646 CA PRO A 42 92.313 -2.569 -1.148 1.00 1.00 C ATOM 647 C PRO A 42 91.736 -3.937 -0.757 1.00 1.00 C ATOM 648 O PRO A 42 90.543 -4.158 -0.840 1.00 1.00 O ATOM 649 CB PRO A 42 92.361 -1.633 0.063 1.00 1.00 C ATOM 650 CG PRO A 42 91.088 -0.853 0.008 1.00 1.00 C ATOM 651 CD PRO A 42 90.669 -0.776 -1.464 1.00 1.00 C ATOM 0 HA PRO A 42 93.296 -2.785 -1.566 1.00 1.00 H new ATOM 0 HB2 PRO A 42 92.437 -2.196 0.993 1.00 1.00 H new ATOM 0 HB3 PRO A 42 93.228 -0.974 0.017 1.00 1.00 H new ATOM 0 HG2 PRO A 42 90.314 -1.337 0.604 1.00 1.00 H new ATOM 0 HG3 PRO A 42 91.230 0.146 0.421 1.00 1.00 H new ATOM 0 HD2 PRO A 42 89.596 -0.929 -1.581 1.00 1.00 H new ATOM 0 HD3 PRO A 42 90.901 0.198 -1.894 1.00 1.00 H new ATOM 659 N PRO A 43 92.577 -4.848 -0.338 1.00 1.00 N ATOM 660 CA PRO A 43 92.144 -6.218 0.068 1.00 1.00 C ATOM 661 C PRO A 43 91.396 -6.220 1.407 1.00 1.00 C ATOM 662 O PRO A 43 91.910 -5.778 2.416 1.00 1.00 O ATOM 663 CB PRO A 43 93.462 -6.991 0.186 1.00 1.00 C ATOM 664 CG PRO A 43 94.493 -5.956 0.489 1.00 1.00 C ATOM 665 CD PRO A 43 94.032 -4.670 -0.202 1.00 1.00 C ATOM 0 HA PRO A 43 91.445 -6.652 -0.647 1.00 1.00 H new ATOM 0 HB2 PRO A 43 93.411 -7.740 0.977 1.00 1.00 H new ATOM 0 HB3 PRO A 43 93.693 -7.519 -0.739 1.00 1.00 H new ATOM 0 HG2 PRO A 43 94.588 -5.806 1.564 1.00 1.00 H new ATOM 0 HG3 PRO A 43 95.472 -6.264 0.122 1.00 1.00 H new ATOM 0 HD2 PRO A 43 94.274 -3.788 0.391 1.00 1.00 H new ATOM 0 HD3 PRO A 43 94.512 -4.543 -1.172 1.00 1.00 H new ATOM 673 N LYS A 44 90.190 -6.721 1.422 1.00 1.00 N ATOM 674 CA LYS A 44 89.406 -6.760 2.693 1.00 1.00 C ATOM 675 C LYS A 44 89.551 -5.425 3.429 1.00 1.00 C ATOM 676 O LYS A 44 89.165 -4.386 2.932 1.00 1.00 O ATOM 677 CB LYS A 44 89.928 -7.894 3.586 1.00 1.00 C ATOM 678 CG LYS A 44 89.992 -9.194 2.782 1.00 1.00 C ATOM 679 CD LYS A 44 88.594 -9.808 2.691 1.00 1.00 C ATOM 680 CE LYS A 44 88.138 -10.250 4.082 1.00 1.00 C ATOM 681 NZ LYS A 44 87.181 -9.249 4.633 1.00 1.00 N ATOM 0 H LYS A 44 89.712 -7.106 0.607 1.00 1.00 H new ATOM 0 HA LYS A 44 88.355 -6.934 2.461 1.00 1.00 H new ATOM 0 HB2 LYS A 44 90.917 -7.643 3.969 1.00 1.00 H new ATOM 0 HB3 LYS A 44 89.275 -8.021 4.449 1.00 1.00 H new ATOM 0 HG2 LYS A 44 90.380 -8.997 1.783 1.00 1.00 H new ATOM 0 HG3 LYS A 44 90.678 -9.895 3.258 1.00 1.00 H new ATOM 0 HD2 LYS A 44 87.892 -9.082 2.281 1.00 1.00 H new ATOM 0 HD3 LYS A 44 88.603 -10.661 2.012 1.00 1.00 H new ATOM 0 HE2 LYS A 44 87.664 -11.230 4.027 1.00 1.00 H new ATOM 0 HE3 LYS A 44 88.998 -10.349 4.744 1.00 1.00 H new ATOM 0 HZ1 LYS A 44 87.424 -9.045 5.623 1.00 1.00 H new ATOM 0 HZ2 LYS A 44 87.236 -8.373 4.075 1.00 1.00 H new ATOM 0 HZ3 LYS A 44 86.214 -9.630 4.585 1.00 1.00 H new ATOM 695 N LYS A 45 90.105 -5.446 4.612 1.00 1.00 N ATOM 696 CA LYS A 45 90.276 -4.182 5.382 1.00 1.00 C ATOM 697 C LYS A 45 88.904 -3.575 5.682 1.00 1.00 C ATOM 698 O LYS A 45 88.704 -2.381 5.569 1.00 1.00 O ATOM 699 CB LYS A 45 91.112 -3.193 4.563 1.00 1.00 C ATOM 700 CG LYS A 45 91.743 -2.160 5.499 1.00 1.00 C ATOM 701 CD LYS A 45 92.540 -1.145 4.678 1.00 1.00 C ATOM 702 CE LYS A 45 92.958 0.022 5.574 1.00 1.00 C ATOM 703 NZ LYS A 45 91.782 0.901 5.826 1.00 1.00 N ATOM 0 H LYS A 45 90.447 -6.286 5.078 1.00 1.00 H new ATOM 0 HA LYS A 45 90.787 -4.395 6.321 1.00 1.00 H new ATOM 0 HB2 LYS A 45 91.889 -3.725 4.014 1.00 1.00 H new ATOM 0 HB3 LYS A 45 90.484 -2.695 3.824 1.00 1.00 H new ATOM 0 HG2 LYS A 45 90.968 -1.651 6.072 1.00 1.00 H new ATOM 0 HG3 LYS A 45 92.396 -2.656 6.217 1.00 1.00 H new ATOM 0 HD2 LYS A 45 93.421 -1.621 4.248 1.00 1.00 H new ATOM 0 HD3 LYS A 45 91.937 -0.781 3.846 1.00 1.00 H new ATOM 0 HE2 LYS A 45 93.353 -0.354 6.518 1.00 1.00 H new ATOM 0 HE3 LYS A 45 93.756 0.592 5.098 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 92.106 1.818 6.195 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 91.263 1.050 4.937 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 91.154 0.450 6.522 1.00 1.00 H new ATOM 717 N GLY A 46 87.957 -4.387 6.067 1.00 1.00 N ATOM 718 CA GLY A 46 86.597 -3.859 6.379 1.00 1.00 C ATOM 719 C GLY A 46 86.504 -3.548 7.873 1.00 1.00 C ATOM 720 O GLY A 46 85.502 -3.808 8.510 1.00 1.00 O ATOM 0 H GLY A 46 88.066 -5.395 6.179 1.00 1.00 H new ATOM 0 HA2 GLY A 46 86.402 -2.959 5.796 1.00 1.00 H new ATOM 0 HA3 GLY A 46 85.838 -4.590 6.100 1.00 1.00 H new ATOM 724 N VAL A 47 87.542 -2.995 8.439 1.00 1.00 N ATOM 725 CA VAL A 47 87.514 -2.669 9.893 1.00 1.00 C ATOM 726 C VAL A 47 86.419 -1.632 10.162 1.00 1.00 C ATOM 727 O VAL A 47 85.251 -1.878 9.932 1.00 1.00 O ATOM 728 CB VAL A 47 88.874 -2.105 10.314 1.00 1.00 C ATOM 729 CG1 VAL A 47 89.897 -3.240 10.391 1.00 1.00 C ATOM 730 CG2 VAL A 47 89.337 -1.072 9.284 1.00 1.00 C ATOM 0 H VAL A 47 88.408 -2.755 7.957 1.00 1.00 H new ATOM 0 HA VAL A 47 87.304 -3.572 10.467 1.00 1.00 H new ATOM 0 HB VAL A 47 88.784 -1.631 11.291 1.00 1.00 H new ATOM 0 HG11 VAL A 47 90.865 -2.838 10.691 1.00 1.00 H new ATOM 0 HG12 VAL A 47 89.568 -3.977 11.123 1.00 1.00 H new ATOM 0 HG13 VAL A 47 89.988 -3.715 9.414 1.00 1.00 H new ATOM 0 HG21 VAL A 47 90.305 -0.669 9.582 1.00 1.00 H new ATOM 0 HG22 VAL A 47 89.427 -1.547 8.307 1.00 1.00 H new ATOM 0 HG23 VAL A 47 88.609 -0.263 9.228 1.00 1.00 H new ATOM 740 N GLN A 48 86.787 -0.475 10.647 1.00 1.00 N ATOM 741 CA GLN A 48 85.772 0.582 10.932 1.00 1.00 C ATOM 742 C GLN A 48 86.254 1.913 10.354 1.00 1.00 C ATOM 743 O GLN A 48 87.398 2.291 10.512 1.00 1.00 O ATOM 744 CB GLN A 48 85.588 0.718 12.446 1.00 1.00 C ATOM 745 CG GLN A 48 86.930 1.061 13.096 1.00 1.00 C ATOM 746 CD GLN A 48 86.827 0.875 14.611 1.00 1.00 C ATOM 747 OE1 GLN A 48 86.612 -0.222 15.086 1.00 1.00 O ATOM 748 NE2 GLN A 48 86.972 1.908 15.394 1.00 1.00 N ATOM 0 H GLN A 48 87.751 -0.216 10.859 1.00 1.00 H new ATOM 0 HA GLN A 48 84.821 0.309 10.475 1.00 1.00 H new ATOM 0 HB2 GLN A 48 84.857 1.496 12.665 1.00 1.00 H new ATOM 0 HB3 GLN A 48 85.199 -0.212 12.860 1.00 1.00 H new ATOM 0 HG2 GLN A 48 87.715 0.421 12.693 1.00 1.00 H new ATOM 0 HG3 GLN A 48 87.206 2.089 12.863 1.00 1.00 H new ATOM 0 HE21 GLN A 48 87.153 2.829 14.995 1.00 1.00 H new ATOM 0 HE22 GLN A 48 86.905 1.795 16.405 1.00 1.00 H new ATOM 757 N GLY A 49 85.392 2.627 9.682 1.00 1.00 N ATOM 758 CA GLY A 49 85.805 3.932 9.093 1.00 1.00 C ATOM 759 C GLY A 49 87.085 3.741 8.277 1.00 1.00 C ATOM 760 O GLY A 49 87.990 4.550 8.325 1.00 1.00 O ATOM 0 H GLY A 49 84.421 2.363 9.516 1.00 1.00 H new ATOM 0 HA2 GLY A 49 85.011 4.324 8.457 1.00 1.00 H new ATOM 0 HA3 GLY A 49 85.971 4.664 9.884 1.00 1.00 H new ATOM 764 N CYS A 50 87.168 2.674 7.529 1.00 1.00 N ATOM 765 CA CYS A 50 88.390 2.430 6.713 1.00 1.00 C ATOM 766 C CYS A 50 88.739 3.696 5.926 1.00 1.00 C ATOM 767 O CYS A 50 89.890 4.060 5.794 1.00 1.00 O ATOM 768 CB CYS A 50 88.133 1.269 5.745 1.00 1.00 C ATOM 769 SG CYS A 50 87.486 1.913 4.182 1.00 1.00 S ATOM 0 H CYS A 50 86.442 1.962 7.448 1.00 1.00 H new ATOM 0 HA CYS A 50 89.223 2.174 7.368 1.00 1.00 H new ATOM 0 HB2 CYS A 50 89.057 0.718 5.568 1.00 1.00 H new ATOM 0 HB3 CYS A 50 87.423 0.568 6.183 1.00 1.00 H new ATOM 774 N GLY A 51 87.750 4.370 5.402 1.00 1.00 N ATOM 775 CA GLY A 51 88.018 5.614 4.623 1.00 1.00 C ATOM 776 C GLY A 51 87.849 6.831 5.534 1.00 1.00 C ATOM 777 O GLY A 51 86.763 7.132 5.989 1.00 1.00 O ATOM 0 H GLY A 51 86.766 4.112 5.480 1.00 1.00 H new ATOM 0 HA2 GLY A 51 89.028 5.590 4.214 1.00 1.00 H new ATOM 0 HA3 GLY A 51 87.333 5.681 3.777 1.00 1.00 H new ATOM 781 N ASP A 52 88.914 7.535 5.804 1.00 1.00 N ATOM 782 CA ASP A 52 88.812 8.731 6.685 1.00 1.00 C ATOM 783 C ASP A 52 88.107 8.347 7.989 1.00 1.00 C ATOM 784 O ASP A 52 88.733 7.929 8.943 1.00 1.00 O ATOM 785 CB ASP A 52 88.012 9.824 5.971 1.00 1.00 C ATOM 786 CG ASP A 52 88.706 10.189 4.658 1.00 1.00 C ATOM 787 OD1 ASP A 52 89.806 10.714 4.718 1.00 1.00 O ATOM 788 OD2 ASP A 52 88.126 9.939 3.614 1.00 1.00 O ATOM 0 H ASP A 52 89.850 7.333 5.452 1.00 1.00 H new ATOM 0 HA ASP A 52 89.811 9.103 6.911 1.00 1.00 H new ATOM 0 HB2 ASP A 52 86.998 9.477 5.774 1.00 1.00 H new ATOM 0 HB3 ASP A 52 87.930 10.704 6.608 1.00 1.00 H new ATOM 793 N ASP A 53 86.810 8.482 8.039 1.00 1.00 N ATOM 794 CA ASP A 53 86.072 8.121 9.282 1.00 1.00 C ATOM 795 C ASP A 53 84.573 8.346 9.071 1.00 1.00 C ATOM 796 O ASP A 53 84.130 8.675 7.989 1.00 1.00 O ATOM 797 CB ASP A 53 86.566 8.995 10.439 1.00 1.00 C ATOM 798 CG ASP A 53 86.825 10.415 9.932 1.00 1.00 C ATOM 799 OD1 ASP A 53 85.878 11.049 9.496 1.00 1.00 O ATOM 800 OD2 ASP A 53 87.966 10.844 9.988 1.00 1.00 O ATOM 0 H ASP A 53 86.230 8.826 7.274 1.00 1.00 H new ATOM 0 HA ASP A 53 86.249 7.072 9.519 1.00 1.00 H new ATOM 0 HB2 ASP A 53 85.825 9.012 11.238 1.00 1.00 H new ATOM 0 HB3 ASP A 53 87.479 8.576 10.861 1.00 1.00 H new ATOM 805 N ILE A 54 83.787 8.167 10.098 1.00 1.00 N ATOM 806 CA ILE A 54 82.317 8.366 9.958 1.00 1.00 C ATOM 807 C ILE A 54 82.046 9.713 9.268 1.00 1.00 C ATOM 808 O ILE A 54 82.495 10.744 9.727 1.00 1.00 O ATOM 809 CB ILE A 54 81.672 8.365 11.348 1.00 1.00 C ATOM 810 CG1 ILE A 54 82.590 9.090 12.335 1.00 1.00 C ATOM 811 CG2 ILE A 54 81.463 6.923 11.814 1.00 1.00 C ATOM 812 CD1 ILE A 54 81.816 9.402 13.617 1.00 1.00 C ATOM 0 H ILE A 54 84.100 7.891 11.029 1.00 1.00 H new ATOM 0 HA ILE A 54 81.894 7.560 9.358 1.00 1.00 H new ATOM 0 HB ILE A 54 80.710 8.875 11.302 1.00 1.00 H new ATOM 0 HG12 ILE A 54 83.458 8.471 12.563 1.00 1.00 H new ATOM 0 HG13 ILE A 54 82.964 10.012 11.890 1.00 1.00 H new ATOM 0 HG21 ILE A 54 81.004 6.923 12.803 1.00 1.00 H new ATOM 0 HG22 ILE A 54 80.811 6.404 11.111 1.00 1.00 H new ATOM 0 HG23 ILE A 54 82.425 6.413 11.860 1.00 1.00 H new ATOM 0 HD11 ILE A 54 82.470 9.918 14.320 1.00 1.00 H new ATOM 0 HD12 ILE A 54 80.962 10.038 13.381 1.00 1.00 H new ATOM 0 HD13 ILE A 54 81.464 8.473 14.065 1.00 1.00 H new ATOM 824 N PRO A 55 81.315 9.714 8.175 1.00 1.00 N ATOM 825 CA PRO A 55 80.992 10.966 7.433 1.00 1.00 C ATOM 826 C PRO A 55 79.858 11.753 8.099 1.00 1.00 C ATOM 827 O PRO A 55 79.968 12.939 8.340 1.00 1.00 O ATOM 828 CB PRO A 55 80.559 10.458 6.058 1.00 1.00 C ATOM 829 CG PRO A 55 79.976 9.108 6.319 1.00 1.00 C ATOM 830 CD PRO A 55 80.719 8.532 7.530 1.00 1.00 C ATOM 0 HA PRO A 55 81.836 11.655 7.399 1.00 1.00 H new ATOM 0 HB2 PRO A 55 79.827 11.124 5.602 1.00 1.00 H new ATOM 0 HB3 PRO A 55 81.405 10.398 5.373 1.00 1.00 H new ATOM 0 HG2 PRO A 55 78.907 9.181 6.520 1.00 1.00 H new ATOM 0 HG3 PRO A 55 80.094 8.461 5.450 1.00 1.00 H new ATOM 0 HD2 PRO A 55 80.040 8.009 8.204 1.00 1.00 H new ATOM 0 HD3 PRO A 55 81.482 7.815 7.227 1.00 1.00 H new ATOM 838 N GLY A 56 78.771 11.098 8.399 1.00 1.00 N ATOM 839 CA GLY A 56 77.630 11.800 9.050 1.00 1.00 C ATOM 840 C GLY A 56 76.703 10.771 9.698 1.00 1.00 C ATOM 841 O GLY A 56 75.706 11.112 10.303 1.00 1.00 O ATOM 0 H GLY A 56 78.623 10.105 8.221 1.00 1.00 H new ATOM 0 HA2 GLY A 56 77.999 12.497 9.802 1.00 1.00 H new ATOM 0 HA3 GLY A 56 77.082 12.387 8.313 1.00 1.00 H new ATOM 845 N MET A 57 77.026 9.512 9.578 1.00 1.00 N ATOM 846 CA MET A 57 76.166 8.460 10.189 1.00 1.00 C ATOM 847 C MET A 57 74.712 8.685 9.772 1.00 1.00 C ATOM 848 O MET A 57 73.999 9.467 10.369 1.00 1.00 O ATOM 849 CB MET A 57 76.278 8.535 11.715 1.00 1.00 C ATOM 850 CG MET A 57 77.635 7.984 12.158 1.00 1.00 C ATOM 851 SD MET A 57 77.489 6.210 12.484 1.00 1.00 S ATOM 852 CE MET A 57 77.137 6.333 14.255 1.00 1.00 C ATOM 0 H MET A 57 77.848 9.167 9.083 1.00 1.00 H new ATOM 0 HA MET A 57 76.493 7.478 9.848 1.00 1.00 H new ATOM 0 HB2 MET A 57 76.167 9.567 12.048 1.00 1.00 H new ATOM 0 HB3 MET A 57 75.473 7.963 12.177 1.00 1.00 H new ATOM 0 HG2 MET A 57 78.382 8.162 11.384 1.00 1.00 H new ATOM 0 HG3 MET A 57 77.975 8.503 13.055 1.00 1.00 H new ATOM 0 HE1 MET A 57 77.008 5.334 14.671 1.00 1.00 H new ATOM 0 HE2 MET A 57 77.967 6.830 14.757 1.00 1.00 H new ATOM 0 HE3 MET A 57 76.224 6.909 14.405 1.00 1.00 H new ATOM 862 N GLU A 58 74.267 8.006 8.750 1.00 1.00 N ATOM 863 CA GLU A 58 72.860 8.180 8.294 1.00 1.00 C ATOM 864 C GLU A 58 72.638 9.645 7.895 1.00 1.00 C ATOM 865 O GLU A 58 73.296 10.538 8.390 1.00 1.00 O ATOM 866 CB GLU A 58 71.905 7.767 9.433 1.00 1.00 C ATOM 867 CG GLU A 58 71.055 8.966 9.859 1.00 1.00 C ATOM 868 CD GLU A 58 70.135 8.557 11.010 1.00 1.00 C ATOM 869 OE1 GLU A 58 70.646 8.299 12.088 1.00 1.00 O ATOM 870 OE2 GLU A 58 68.935 8.509 10.795 1.00 1.00 O ATOM 0 H GLU A 58 74.818 7.338 8.211 1.00 1.00 H new ATOM 0 HA GLU A 58 72.660 7.550 7.427 1.00 1.00 H new ATOM 0 HB2 GLU A 58 71.261 6.952 9.102 1.00 1.00 H new ATOM 0 HB3 GLU A 58 72.477 7.395 10.283 1.00 1.00 H new ATOM 0 HG2 GLU A 58 71.698 9.789 10.169 1.00 1.00 H new ATOM 0 HG3 GLU A 58 70.463 9.324 9.016 1.00 1.00 H new ATOM 877 N GLY A 59 71.718 9.896 7.004 1.00 1.00 N ATOM 878 CA GLY A 59 71.460 11.301 6.577 1.00 1.00 C ATOM 879 C GLY A 59 70.207 11.352 5.703 1.00 1.00 C ATOM 880 O GLY A 59 69.962 12.319 5.008 1.00 1.00 O ATOM 0 H GLY A 59 71.135 9.191 6.554 1.00 1.00 H new ATOM 0 HA2 GLY A 59 71.332 11.939 7.451 1.00 1.00 H new ATOM 0 HA3 GLY A 59 72.317 11.686 6.024 1.00 1.00 H new ATOM 884 N CYS A 60 69.409 10.318 5.729 1.00 1.00 N ATOM 885 CA CYS A 60 68.171 10.309 4.898 1.00 1.00 C ATOM 886 C CYS A 60 67.096 9.470 5.593 1.00 1.00 C ATOM 887 O CYS A 60 65.916 9.740 5.482 1.00 1.00 O ATOM 888 CB CYS A 60 68.483 9.706 3.527 1.00 1.00 C ATOM 889 SG CYS A 60 70.031 10.403 2.898 1.00 1.00 S ATOM 0 H CYS A 60 69.561 9.480 6.290 1.00 1.00 H new ATOM 0 HA CYS A 60 67.809 11.330 4.772 1.00 1.00 H new ATOM 0 HB2 CYS A 60 68.565 8.622 3.605 1.00 1.00 H new ATOM 0 HB3 CYS A 60 67.669 9.915 2.832 1.00 1.00 H new ATOM 894 N GLY A 61 67.495 8.452 6.308 1.00 1.00 N ATOM 895 CA GLY A 61 66.498 7.592 7.011 1.00 1.00 C ATOM 896 C GLY A 61 66.992 6.145 7.018 1.00 1.00 C ATOM 897 O GLY A 61 66.217 5.212 6.942 1.00 1.00 O ATOM 0 H GLY A 61 68.469 8.178 6.436 1.00 1.00 H new ATOM 0 HA2 GLY A 61 66.354 7.944 8.033 1.00 1.00 H new ATOM 0 HA3 GLY A 61 65.531 7.655 6.513 1.00 1.00 H new ATOM 901 N THR A 62 68.280 5.951 7.109 1.00 1.00 N ATOM 902 CA THR A 62 68.830 4.566 7.121 1.00 1.00 C ATOM 903 C THR A 62 68.847 4.036 8.556 1.00 1.00 C ATOM 904 O THR A 62 69.893 3.813 9.133 1.00 1.00 O ATOM 905 CB THR A 62 70.257 4.583 6.567 1.00 1.00 C ATOM 906 OG1 THR A 62 71.126 5.174 7.522 1.00 1.00 O ATOM 907 CG2 THR A 62 70.294 5.393 5.270 1.00 1.00 C ATOM 0 H THR A 62 68.976 6.694 7.176 1.00 1.00 H new ATOM 0 HA THR A 62 68.206 3.920 6.503 1.00 1.00 H new ATOM 0 HB THR A 62 70.580 3.562 6.363 1.00 1.00 H new ATOM 0 HG1 THR A 62 71.992 4.716 7.503 1.00 1.00 H new ATOM 0 HG21 THR A 62 71.311 5.404 4.877 1.00 1.00 H new ATOM 0 HG22 THR A 62 69.627 4.938 4.538 1.00 1.00 H new ATOM 0 HG23 THR A 62 69.971 6.415 5.470 1.00 1.00 H new ATOM 915 N ASP A 63 67.697 3.832 9.138 1.00 1.00 N ATOM 916 CA ASP A 63 67.649 3.317 10.535 1.00 1.00 C ATOM 917 C ASP A 63 68.136 1.867 10.564 1.00 1.00 C ATOM 918 O ASP A 63 68.090 1.209 11.584 1.00 1.00 O ATOM 919 CB ASP A 63 66.210 3.382 11.053 1.00 1.00 C ATOM 920 CG ASP A 63 65.760 4.842 11.130 1.00 1.00 C ATOM 921 OD1 ASP A 63 66.528 5.700 10.727 1.00 1.00 O ATOM 922 OD2 ASP A 63 64.655 5.078 11.590 1.00 1.00 O ATOM 0 H ASP A 63 66.788 4.000 8.706 1.00 1.00 H new ATOM 0 HA ASP A 63 68.292 3.928 11.168 1.00 1.00 H new ATOM 0 HB2 ASP A 63 65.549 2.821 10.392 1.00 1.00 H new ATOM 0 HB3 ASP A 63 66.145 2.918 12.037 1.00 1.00 H new ATOM 927 N ILE A 64 68.605 1.366 9.450 1.00 1.00 N ATOM 928 CA ILE A 64 69.099 -0.040 9.404 1.00 1.00 C ATOM 929 C ILE A 64 70.602 -0.032 9.128 1.00 1.00 C ATOM 930 O ILE A 64 71.163 -0.993 8.642 1.00 1.00 O ATOM 931 CB ILE A 64 68.381 -0.792 8.279 1.00 1.00 C ATOM 932 CG1 ILE A 64 66.884 -0.479 8.333 1.00 1.00 C ATOM 933 CG2 ILE A 64 68.592 -2.297 8.454 1.00 1.00 C ATOM 934 CD1 ILE A 64 66.570 0.678 7.382 1.00 1.00 C ATOM 0 H ILE A 64 68.667 1.874 8.567 1.00 1.00 H new ATOM 0 HA ILE A 64 68.901 -0.532 10.356 1.00 1.00 H new ATOM 0 HB ILE A 64 68.785 -0.478 7.317 1.00 1.00 H new ATOM 0 HG12 ILE A 64 66.307 -1.360 8.053 1.00 1.00 H new ATOM 0 HG13 ILE A 64 66.593 -0.217 9.350 1.00 1.00 H new ATOM 0 HG21 ILE A 64 68.081 -2.832 7.653 1.00 1.00 H new ATOM 0 HG22 ILE A 64 69.658 -2.522 8.418 1.00 1.00 H new ATOM 0 HG23 ILE A 64 68.188 -2.612 9.416 1.00 1.00 H new ATOM 0 HD11 ILE A 64 65.504 0.901 7.420 1.00 1.00 H new ATOM 0 HD12 ILE A 64 67.136 1.560 7.682 1.00 1.00 H new ATOM 0 HD13 ILE A 64 66.846 0.398 6.365 1.00 1.00 H new ATOM 946 N THR A 65 71.259 1.049 9.424 1.00 1.00 N ATOM 947 CA THR A 65 72.722 1.118 9.166 1.00 1.00 C ATOM 948 C THR A 65 73.466 0.182 10.121 1.00 1.00 C ATOM 949 O THR A 65 74.280 -0.621 9.708 1.00 1.00 O ATOM 950 CB THR A 65 73.208 2.553 9.376 1.00 1.00 C ATOM 951 OG1 THR A 65 72.603 3.402 8.411 1.00 1.00 O ATOM 952 CG2 THR A 65 74.729 2.607 9.223 1.00 1.00 C ATOM 0 H THR A 65 70.848 1.888 9.833 1.00 1.00 H new ATOM 0 HA THR A 65 72.919 0.810 8.139 1.00 1.00 H new ATOM 0 HB THR A 65 72.934 2.886 10.377 1.00 1.00 H new ATOM 0 HG1 THR A 65 71.706 3.654 8.714 1.00 1.00 H new ATOM 0 HG21 THR A 65 75.074 3.630 9.373 1.00 1.00 H new ATOM 0 HG22 THR A 65 75.193 1.956 9.964 1.00 1.00 H new ATOM 0 HG23 THR A 65 75.006 2.274 8.223 1.00 1.00 H new ATOM 960 N VAL A 66 73.202 0.282 11.396 1.00 1.00 N ATOM 961 CA VAL A 66 73.902 -0.599 12.376 1.00 1.00 C ATOM 962 C VAL A 66 73.930 -2.038 11.853 1.00 1.00 C ATOM 963 O VAL A 66 74.973 -2.656 11.771 1.00 1.00 O ATOM 964 CB VAL A 66 73.167 -0.560 13.717 1.00 1.00 C ATOM 965 CG1 VAL A 66 74.013 -1.257 14.784 1.00 1.00 C ATOM 966 CG2 VAL A 66 72.931 0.896 14.125 1.00 1.00 C ATOM 0 H VAL A 66 72.532 0.935 11.802 1.00 1.00 H new ATOM 0 HA VAL A 66 74.924 -0.244 12.509 1.00 1.00 H new ATOM 0 HB VAL A 66 72.209 -1.072 13.622 1.00 1.00 H new ATOM 0 HG11 VAL A 66 73.489 -1.229 15.739 1.00 1.00 H new ATOM 0 HG12 VAL A 66 74.183 -2.294 14.494 1.00 1.00 H new ATOM 0 HG13 VAL A 66 74.971 -0.746 14.880 1.00 1.00 H new ATOM 0 HG21 VAL A 66 72.407 0.926 15.080 1.00 1.00 H new ATOM 0 HG22 VAL A 66 73.889 1.407 14.220 1.00 1.00 H new ATOM 0 HG23 VAL A 66 72.328 1.394 13.365 1.00 1.00 H new ATOM 976 N ILE A 67 72.792 -2.576 11.499 1.00 1.00 N ATOM 977 CA ILE A 67 72.752 -3.976 10.981 1.00 1.00 C ATOM 978 C ILE A 67 71.867 -4.031 9.735 1.00 1.00 C ATOM 979 O ILE A 67 70.672 -4.234 9.822 1.00 1.00 O ATOM 980 CB ILE A 67 72.179 -4.904 12.059 1.00 1.00 C ATOM 981 CG1 ILE A 67 73.159 -4.987 13.232 1.00 1.00 C ATOM 982 CG2 ILE A 67 71.969 -6.301 11.472 1.00 1.00 C ATOM 983 CD1 ILE A 67 72.534 -4.334 14.466 1.00 1.00 C ATOM 0 H ILE A 67 71.888 -2.106 11.546 1.00 1.00 H new ATOM 0 HA ILE A 67 73.761 -4.299 10.725 1.00 1.00 H new ATOM 0 HB ILE A 67 71.225 -4.510 12.408 1.00 1.00 H new ATOM 0 HG12 ILE A 67 73.403 -6.028 13.443 1.00 1.00 H new ATOM 0 HG13 ILE A 67 74.093 -4.486 12.976 1.00 1.00 H new ATOM 0 HG21 ILE A 67 71.562 -6.960 12.239 1.00 1.00 H new ATOM 0 HG22 ILE A 67 71.272 -6.243 10.636 1.00 1.00 H new ATOM 0 HG23 ILE A 67 72.923 -6.696 11.123 1.00 1.00 H new ATOM 0 HD11 ILE A 67 73.232 -4.393 15.301 1.00 1.00 H new ATOM 0 HD12 ILE A 67 72.312 -3.289 14.251 1.00 1.00 H new ATOM 0 HD13 ILE A 67 71.612 -4.855 14.726 1.00 1.00 H new ATOM 995 N CYS A 68 72.447 -3.855 8.575 1.00 1.00 N ATOM 996 CA CYS A 68 71.647 -3.895 7.316 1.00 1.00 C ATOM 997 C CYS A 68 72.051 -5.124 6.494 1.00 1.00 C ATOM 998 O CYS A 68 73.079 -5.726 6.729 1.00 1.00 O ATOM 999 CB CYS A 68 71.910 -2.620 6.503 1.00 1.00 C ATOM 1000 SG CYS A 68 73.334 -1.742 7.195 1.00 1.00 S ATOM 0 H CYS A 68 73.444 -3.685 8.446 1.00 1.00 H new ATOM 0 HA CYS A 68 70.586 -3.956 7.559 1.00 1.00 H new ATOM 0 HB2 CYS A 68 72.098 -2.874 5.460 1.00 1.00 H new ATOM 0 HB3 CYS A 68 71.030 -1.977 6.521 1.00 1.00 H new ATOM 1005 N PRO A 69 71.238 -5.493 5.536 1.00 1.00 N ATOM 1006 CA PRO A 69 71.495 -6.665 4.658 1.00 1.00 C ATOM 1007 C PRO A 69 72.987 -6.892 4.392 1.00 1.00 C ATOM 1008 O PRO A 69 73.433 -8.012 4.238 1.00 1.00 O ATOM 1009 CB PRO A 69 70.757 -6.290 3.376 1.00 1.00 C ATOM 1010 CG PRO A 69 69.595 -5.463 3.826 1.00 1.00 C ATOM 1011 CD PRO A 69 69.977 -4.828 5.170 1.00 1.00 C ATOM 0 HA PRO A 69 71.160 -7.601 5.105 1.00 1.00 H new ATOM 0 HB2 PRO A 69 71.402 -5.729 2.699 1.00 1.00 H new ATOM 0 HB3 PRO A 69 70.425 -7.178 2.838 1.00 1.00 H new ATOM 0 HG2 PRO A 69 69.364 -4.693 3.090 1.00 1.00 H new ATOM 0 HG3 PRO A 69 68.703 -6.080 3.933 1.00 1.00 H new ATOM 0 HD2 PRO A 69 70.107 -3.750 5.079 1.00 1.00 H new ATOM 0 HD3 PRO A 69 69.206 -4.994 5.923 1.00 1.00 H new ATOM 1019 N TRP A 70 73.765 -5.845 4.344 1.00 1.00 N ATOM 1020 CA TRP A 70 75.224 -6.021 4.098 1.00 1.00 C ATOM 1021 C TRP A 70 75.807 -6.897 5.208 1.00 1.00 C ATOM 1022 O TRP A 70 76.667 -7.724 4.979 1.00 1.00 O ATOM 1023 CB TRP A 70 75.913 -4.651 4.108 1.00 1.00 C ATOM 1024 CG TRP A 70 77.384 -4.834 4.302 1.00 1.00 C ATOM 1025 CD1 TRP A 70 78.211 -5.456 3.432 1.00 1.00 C ATOM 1026 CD2 TRP A 70 78.215 -4.402 5.420 1.00 1.00 C ATOM 1027 NE1 TRP A 70 79.496 -5.435 3.942 1.00 1.00 N ATOM 1028 CE2 TRP A 70 79.551 -4.797 5.165 1.00 1.00 C ATOM 1029 CE3 TRP A 70 77.944 -3.715 6.615 1.00 1.00 C ATOM 1030 CZ2 TRP A 70 80.581 -4.518 6.067 1.00 1.00 C ATOM 1031 CZ3 TRP A 70 78.975 -3.433 7.524 1.00 1.00 C ATOM 1032 CH2 TRP A 70 80.290 -3.833 7.251 1.00 1.00 C ATOM 0 HA TRP A 70 75.385 -6.495 3.129 1.00 1.00 H new ATOM 0 HB2 TRP A 70 75.721 -4.129 3.171 1.00 1.00 H new ATOM 0 HB3 TRP A 70 75.504 -4.032 4.907 1.00 1.00 H new ATOM 0 HD1 TRP A 70 77.916 -5.897 2.492 1.00 1.00 H new ATOM 0 HE1 TRP A 70 80.305 -5.841 3.472 1.00 1.00 H new ATOM 0 HE3 TRP A 70 76.934 -3.401 6.836 1.00 1.00 H new ATOM 0 HZ2 TRP A 70 81.593 -4.829 5.852 1.00 1.00 H new ATOM 0 HZ3 TRP A 70 78.754 -2.905 8.440 1.00 1.00 H new ATOM 0 HH2 TRP A 70 81.079 -3.612 7.955 1.00 1.00 H new ATOM 1043 N GLU A 71 75.337 -6.718 6.410 1.00 1.00 N ATOM 1044 CA GLU A 71 75.849 -7.531 7.546 1.00 1.00 C ATOM 1045 C GLU A 71 75.345 -8.971 7.410 1.00 1.00 C ATOM 1046 O GLU A 71 75.898 -9.889 7.982 1.00 1.00 O ATOM 1047 CB GLU A 71 75.336 -6.931 8.861 1.00 1.00 C ATOM 1048 CG GLU A 71 76.224 -5.753 9.268 1.00 1.00 C ATOM 1049 CD GLU A 71 76.047 -5.472 10.761 1.00 1.00 C ATOM 1050 OE1 GLU A 71 75.166 -6.070 11.356 1.00 1.00 O ATOM 1051 OE2 GLU A 71 76.796 -4.663 11.284 1.00 1.00 O ATOM 0 H GLU A 71 74.616 -6.039 6.655 1.00 1.00 H new ATOM 0 HA GLU A 71 76.939 -7.528 7.541 1.00 1.00 H new ATOM 0 HB2 GLU A 71 74.305 -6.598 8.743 1.00 1.00 H new ATOM 0 HB3 GLU A 71 75.339 -7.689 9.644 1.00 1.00 H new ATOM 0 HG2 GLU A 71 77.268 -5.979 9.051 1.00 1.00 H new ATOM 0 HG3 GLU A 71 75.962 -4.869 8.687 1.00 1.00 H new ATOM 1058 N ALA A 72 74.298 -9.173 6.659 1.00 1.00 N ATOM 1059 CA ALA A 72 73.757 -10.551 6.490 1.00 1.00 C ATOM 1060 C ALA A 72 74.636 -11.336 5.515 1.00 1.00 C ATOM 1061 O ALA A 72 75.012 -12.462 5.773 1.00 1.00 O ATOM 1062 CB ALA A 72 72.333 -10.472 5.938 1.00 1.00 C ATOM 0 H ALA A 72 73.794 -8.444 6.155 1.00 1.00 H new ATOM 0 HA ALA A 72 73.750 -11.056 7.456 1.00 1.00 H new ATOM 0 HB1 ALA A 72 71.935 -11.479 5.813 1.00 1.00 H new ATOM 0 HB2 ALA A 72 71.704 -9.916 6.633 1.00 1.00 H new ATOM 0 HB3 ALA A 72 72.344 -9.964 4.974 1.00 1.00 H new ATOM 1068 N CYS A 73 74.962 -10.755 4.393 1.00 1.00 N ATOM 1069 CA CYS A 73 75.811 -11.475 3.402 1.00 1.00 C ATOM 1070 C CYS A 73 77.276 -11.410 3.839 1.00 1.00 C ATOM 1071 O CYS A 73 77.947 -12.418 3.943 1.00 1.00 O ATOM 1072 CB CYS A 73 75.657 -10.823 2.022 1.00 1.00 C ATOM 1073 SG CYS A 73 74.278 -9.651 2.059 1.00 1.00 S ATOM 0 H CYS A 73 74.678 -9.814 4.120 1.00 1.00 H new ATOM 0 HA CYS A 73 75.496 -12.517 3.346 1.00 1.00 H new ATOM 0 HB2 CYS A 73 76.578 -10.309 1.746 1.00 1.00 H new ATOM 0 HB3 CYS A 73 75.479 -11.587 1.265 1.00 1.00 H new ATOM 1078 N ASN A 74 77.780 -10.233 4.088 1.00 1.00 N ATOM 1079 CA ASN A 74 79.204 -10.105 4.511 1.00 1.00 C ATOM 1080 C ASN A 74 80.111 -10.543 3.356 1.00 1.00 C ATOM 1081 O ASN A 74 81.311 -10.661 3.504 1.00 1.00 O ATOM 1082 CB ASN A 74 79.449 -10.981 5.756 1.00 1.00 C ATOM 1083 CG ASN A 74 80.388 -12.135 5.399 1.00 1.00 C ATOM 1084 OD1 ASN A 74 81.592 -12.005 5.497 1.00 1.00 O ATOM 1085 ND2 ASN A 74 79.885 -13.265 4.986 1.00 1.00 N ATOM 0 H ASN A 74 77.268 -9.354 4.017 1.00 1.00 H new ATOM 0 HA ASN A 74 79.429 -9.069 4.764 1.00 1.00 H new ATOM 0 HB2 ASN A 74 79.883 -10.380 6.555 1.00 1.00 H new ATOM 0 HB3 ASN A 74 78.502 -11.372 6.129 1.00 1.00 H new ATOM 0 HD21 ASN A 74 80.502 -14.040 4.745 1.00 1.00 H new ATOM 0 HD22 ASN A 74 78.874 -13.374 4.904 1.00 1.00 H new ATOM 1092 N HIS A 75 79.543 -10.784 2.204 1.00 1.00 N ATOM 1093 CA HIS A 75 80.365 -11.216 1.038 1.00 1.00 C ATOM 1094 C HIS A 75 80.873 -9.987 0.280 1.00 1.00 C ATOM 1095 O HIS A 75 82.020 -9.608 0.396 1.00 1.00 O ATOM 1096 CB HIS A 75 79.511 -12.071 0.100 1.00 1.00 C ATOM 1097 CG HIS A 75 78.771 -13.107 0.901 1.00 1.00 C ATOM 1098 ND1 HIS A 75 77.385 -13.157 0.943 1.00 1.00 N ATOM 1099 CD2 HIS A 75 79.209 -14.138 1.696 1.00 1.00 C ATOM 1100 CE1 HIS A 75 77.039 -14.186 1.737 1.00 1.00 C ATOM 1101 NE2 HIS A 75 78.112 -14.815 2.221 1.00 1.00 N ATOM 0 H HIS A 75 78.543 -10.700 2.021 1.00 1.00 H new ATOM 0 HA HIS A 75 81.214 -11.799 1.394 1.00 1.00 H new ATOM 0 HB2 HIS A 75 78.805 -11.442 -0.441 1.00 1.00 H new ATOM 0 HB3 HIS A 75 80.143 -12.555 -0.645 1.00 1.00 H new ATOM 0 HD2 HIS A 75 80.243 -14.385 1.884 1.00 1.00 H new ATOM 0 HE1 HIS A 75 76.020 -14.468 1.956 1.00 1.00 H new ATOM 0 HE2 HIS A 75 78.125 -15.622 2.845 1.00 1.00 H new ATOM 1110 N CYS A 76 80.027 -9.366 -0.500 1.00 1.00 N ATOM 1111 CA CYS A 76 80.456 -8.165 -1.273 1.00 1.00 C ATOM 1112 C CYS A 76 81.446 -8.584 -2.364 1.00 1.00 C ATOM 1113 O CYS A 76 81.498 -7.997 -3.426 1.00 1.00 O ATOM 1114 CB CYS A 76 81.115 -7.153 -0.327 1.00 1.00 C ATOM 1115 SG CYS A 76 82.915 -7.317 -0.422 1.00 1.00 S ATOM 0 H CYS A 76 79.054 -9.641 -0.635 1.00 1.00 H new ATOM 0 HA CYS A 76 79.586 -7.702 -1.739 1.00 1.00 H new ATOM 0 HB2 CYS A 76 80.817 -6.140 -0.597 1.00 1.00 H new ATOM 0 HB3 CYS A 76 80.778 -7.322 0.696 1.00 1.00 H new ATOM 1120 N GLU A 77 82.232 -9.594 -2.112 1.00 1.00 N ATOM 1121 CA GLU A 77 83.216 -10.046 -3.135 1.00 1.00 C ATOM 1122 C GLU A 77 82.474 -10.662 -4.324 1.00 1.00 C ATOM 1123 O GLU A 77 82.403 -10.084 -5.390 1.00 1.00 O ATOM 1124 CB GLU A 77 84.147 -11.093 -2.518 1.00 1.00 C ATOM 1125 CG GLU A 77 84.955 -10.455 -1.387 1.00 1.00 C ATOM 1126 CD GLU A 77 86.073 -11.407 -0.957 1.00 1.00 C ATOM 1127 OE1 GLU A 77 85.756 -12.470 -0.449 1.00 1.00 O ATOM 1128 OE2 GLU A 77 87.227 -11.057 -1.142 1.00 1.00 O ATOM 0 H GLU A 77 82.235 -10.126 -1.242 1.00 1.00 H new ATOM 0 HA GLU A 77 83.802 -9.192 -3.476 1.00 1.00 H new ATOM 0 HB2 GLU A 77 83.565 -11.932 -2.135 1.00 1.00 H new ATOM 0 HB3 GLU A 77 84.818 -11.491 -3.279 1.00 1.00 H new ATOM 0 HG2 GLU A 77 85.378 -9.507 -1.718 1.00 1.00 H new ATOM 0 HG3 GLU A 77 84.305 -10.235 -0.540 1.00 1.00 H new ATOM 1135 N LEU A 78 81.920 -11.830 -4.148 1.00 1.00 N ATOM 1136 CA LEU A 78 81.184 -12.482 -5.268 1.00 1.00 C ATOM 1137 C LEU A 78 80.406 -13.686 -4.729 1.00 1.00 C ATOM 1138 O LEU A 78 80.981 -14.645 -4.254 1.00 1.00 O ATOM 1139 CB LEU A 78 82.186 -12.946 -6.331 1.00 1.00 C ATOM 1140 CG LEU A 78 81.477 -13.840 -7.350 1.00 1.00 C ATOM 1141 CD1 LEU A 78 80.221 -13.134 -7.863 1.00 1.00 C ATOM 1142 CD2 LEU A 78 82.418 -14.120 -8.523 1.00 1.00 C ATOM 0 H LEU A 78 81.945 -12.361 -3.277 1.00 1.00 H new ATOM 0 HA LEU A 78 80.487 -11.772 -5.714 1.00 1.00 H new ATOM 0 HB2 LEU A 78 82.625 -12.083 -6.832 1.00 1.00 H new ATOM 0 HB3 LEU A 78 83.004 -13.492 -5.861 1.00 1.00 H new ATOM 0 HG LEU A 78 81.197 -14.780 -6.875 1.00 1.00 H new ATOM 0 HD11 LEU A 78 79.716 -13.771 -8.589 1.00 1.00 H new ATOM 0 HD12 LEU A 78 79.550 -12.933 -7.028 1.00 1.00 H new ATOM 0 HD13 LEU A 78 80.501 -12.194 -8.338 1.00 1.00 H new ATOM 0 HD21 LEU A 78 81.914 -14.757 -9.250 1.00 1.00 H new ATOM 0 HD22 LEU A 78 82.698 -13.179 -8.997 1.00 1.00 H new ATOM 0 HD23 LEU A 78 83.314 -14.623 -8.159 1.00 1.00 H new ATOM 1154 N HIS A 79 79.103 -13.644 -4.799 1.00 1.00 N ATOM 1155 CA HIS A 79 78.294 -14.787 -4.291 1.00 1.00 C ATOM 1156 C HIS A 79 76.842 -14.631 -4.747 1.00 1.00 C ATOM 1157 O HIS A 79 76.390 -15.306 -5.651 1.00 1.00 O ATOM 1158 CB HIS A 79 78.350 -14.809 -2.761 1.00 1.00 C ATOM 1159 CG HIS A 79 77.850 -16.135 -2.259 1.00 1.00 C ATOM 1160 ND1 HIS A 79 77.995 -17.305 -2.990 1.00 1.00 N ATOM 1161 CD2 HIS A 79 77.203 -16.494 -1.101 1.00 1.00 C ATOM 1162 CE1 HIS A 79 77.449 -18.304 -2.273 1.00 1.00 C ATOM 1163 NE2 HIS A 79 76.953 -17.863 -1.115 1.00 1.00 N ATOM 0 H HIS A 79 78.565 -12.868 -5.186 1.00 1.00 H new ATOM 0 HA HIS A 79 78.697 -15.720 -4.684 1.00 1.00 H new ATOM 0 HB2 HIS A 79 79.372 -14.642 -2.422 1.00 1.00 H new ATOM 0 HB3 HIS A 79 77.743 -14.001 -2.353 1.00 1.00 H new ATOM 0 HD2 HIS A 79 76.931 -15.818 -0.304 1.00 1.00 H new ATOM 0 HE1 HIS A 79 77.416 -19.335 -2.594 1.00 1.00 H new ATOM 0 HE2 HIS A 79 76.489 -18.413 -0.393 1.00 1.00 H new ATOM 1172 N GLU A 80 76.107 -13.748 -4.129 1.00 1.00 N ATOM 1173 CA GLU A 80 74.684 -13.553 -4.527 1.00 1.00 C ATOM 1174 C GLU A 80 74.624 -12.719 -5.813 1.00 1.00 C ATOM 1175 O GLU A 80 75.321 -12.993 -6.770 1.00 1.00 O ATOM 1176 CB GLU A 80 73.936 -12.836 -3.398 1.00 1.00 C ATOM 1177 CG GLU A 80 74.783 -11.674 -2.877 1.00 1.00 C ATOM 1178 CD GLU A 80 75.622 -12.146 -1.688 1.00 1.00 C ATOM 1179 OE1 GLU A 80 75.055 -12.742 -0.788 1.00 1.00 O ATOM 1180 OE2 GLU A 80 76.817 -11.902 -1.697 1.00 1.00 O ATOM 0 H GLU A 80 76.430 -13.153 -3.366 1.00 1.00 H new ATOM 0 HA GLU A 80 74.215 -14.520 -4.709 1.00 1.00 H new ATOM 0 HB2 GLU A 80 72.977 -12.466 -3.761 1.00 1.00 H new ATOM 0 HB3 GLU A 80 73.722 -13.535 -2.589 1.00 1.00 H new ATOM 0 HG2 GLU A 80 75.433 -11.300 -3.668 1.00 1.00 H new ATOM 0 HG3 GLU A 80 74.139 -10.847 -2.576 1.00 1.00 H new ATOM 1187 N LEU A 81 73.795 -11.710 -5.851 1.00 1.00 N ATOM 1188 CA LEU A 81 73.695 -10.876 -7.081 1.00 1.00 C ATOM 1189 C LEU A 81 75.005 -10.110 -7.296 1.00 1.00 C ATOM 1190 O LEU A 81 75.140 -9.344 -8.229 1.00 1.00 O ATOM 1191 CB LEU A 81 72.518 -9.896 -6.952 1.00 1.00 C ATOM 1192 CG LEU A 81 72.907 -8.738 -6.031 1.00 1.00 C ATOM 1193 CD1 LEU A 81 71.690 -7.842 -5.794 1.00 1.00 C ATOM 1194 CD2 LEU A 81 73.397 -9.296 -4.693 1.00 1.00 C ATOM 0 H LEU A 81 73.184 -11.429 -5.084 1.00 1.00 H new ATOM 0 HA LEU A 81 73.520 -11.522 -7.942 1.00 1.00 H new ATOM 0 HB2 LEU A 81 72.241 -9.514 -7.935 1.00 1.00 H new ATOM 0 HB3 LEU A 81 71.645 -10.412 -6.553 1.00 1.00 H new ATOM 0 HG LEU A 81 73.701 -8.155 -6.496 1.00 1.00 H new ATOM 0 HD11 LEU A 81 71.968 -7.017 -5.138 1.00 1.00 H new ATOM 0 HD12 LEU A 81 71.339 -7.445 -6.747 1.00 1.00 H new ATOM 0 HD13 LEU A 81 70.895 -8.424 -5.328 1.00 1.00 H new ATOM 0 HD21 LEU A 81 73.675 -8.472 -4.035 1.00 1.00 H new ATOM 0 HD22 LEU A 81 72.602 -9.879 -4.229 1.00 1.00 H new ATOM 0 HD23 LEU A 81 74.264 -9.935 -4.861 1.00 1.00 H new ATOM 1206 N ALA A 82 75.974 -10.316 -6.445 1.00 1.00 N ATOM 1207 CA ALA A 82 77.275 -9.606 -6.608 1.00 1.00 C ATOM 1208 C ALA A 82 77.990 -10.130 -7.857 1.00 1.00 C ATOM 1209 O ALA A 82 79.201 -10.101 -7.949 1.00 1.00 O ATOM 1210 CB ALA A 82 78.150 -9.856 -5.378 1.00 1.00 C ATOM 0 H ALA A 82 75.921 -10.945 -5.644 1.00 1.00 H new ATOM 0 HA ALA A 82 77.094 -8.536 -6.714 1.00 1.00 H new ATOM 0 HB1 ALA A 82 79.101 -9.337 -5.497 1.00 1.00 H new ATOM 0 HB2 ALA A 82 77.642 -9.484 -4.488 1.00 1.00 H new ATOM 0 HB3 ALA A 82 78.331 -10.926 -5.272 1.00 1.00 H new ATOM 1216 N GLN A 83 77.249 -10.615 -8.817 1.00 1.00 N ATOM 1217 CA GLN A 83 77.884 -11.147 -10.056 1.00 1.00 C ATOM 1218 C GLN A 83 78.627 -10.023 -10.782 1.00 1.00 C ATOM 1219 O GLN A 83 79.651 -10.243 -11.395 1.00 1.00 O ATOM 1220 CB GLN A 83 76.801 -11.720 -10.974 1.00 1.00 C ATOM 1221 CG GLN A 83 76.275 -13.031 -10.387 1.00 1.00 C ATOM 1222 CD GLN A 83 77.266 -14.158 -10.683 1.00 1.00 C ATOM 1223 OE1 GLN A 83 78.356 -13.914 -11.161 1.00 1.00 O ATOM 1224 NE2 GLN A 83 76.932 -15.391 -10.417 1.00 1.00 N ATOM 0 H GLN A 83 76.230 -10.666 -8.796 1.00 1.00 H new ATOM 0 HA GLN A 83 78.593 -11.931 -9.791 1.00 1.00 H new ATOM 0 HB2 GLN A 83 75.986 -11.005 -11.082 1.00 1.00 H new ATOM 0 HB3 GLN A 83 77.208 -11.893 -11.970 1.00 1.00 H new ATOM 0 HG2 GLN A 83 76.135 -12.929 -9.311 1.00 1.00 H new ATOM 0 HG3 GLN A 83 75.301 -13.268 -10.814 1.00 1.00 H new ATOM 0 HE21 GLN A 83 76.017 -15.596 -10.016 1.00 1.00 H new ATOM 0 HE22 GLN A 83 77.586 -16.150 -10.610 1.00 1.00 H new ATOM 1233 N TYR A 84 78.117 -8.820 -10.720 1.00 1.00 N ATOM 1234 CA TYR A 84 78.793 -7.679 -11.409 1.00 1.00 C ATOM 1235 C TYR A 84 78.863 -6.483 -10.456 1.00 1.00 C ATOM 1236 O TYR A 84 79.701 -5.614 -10.595 1.00 1.00 O ATOM 1237 CB TYR A 84 78.000 -7.297 -12.671 1.00 1.00 C ATOM 1238 CG TYR A 84 76.733 -8.115 -12.737 1.00 1.00 C ATOM 1239 CD1 TYR A 84 75.611 -7.730 -11.992 1.00 1.00 C ATOM 1240 CD2 TYR A 84 76.678 -9.259 -13.542 1.00 1.00 C ATOM 1241 CE1 TYR A 84 74.436 -8.488 -12.052 1.00 1.00 C ATOM 1242 CE2 TYR A 84 75.503 -10.017 -13.603 1.00 1.00 C ATOM 1243 CZ TYR A 84 74.382 -9.632 -12.858 1.00 1.00 C ATOM 1244 OH TYR A 84 73.224 -10.380 -12.918 1.00 1.00 O ATOM 0 H TYR A 84 77.261 -8.578 -10.222 1.00 1.00 H new ATOM 0 HA TYR A 84 79.803 -7.970 -11.697 1.00 1.00 H new ATOM 0 HB2 TYR A 84 77.759 -6.234 -12.654 1.00 1.00 H new ATOM 0 HB3 TYR A 84 78.605 -7.472 -13.560 1.00 1.00 H new ATOM 0 HD1 TYR A 84 75.653 -6.848 -11.371 1.00 1.00 H new ATOM 0 HD2 TYR A 84 77.543 -9.557 -14.116 1.00 1.00 H new ATOM 0 HE1 TYR A 84 73.571 -8.191 -11.477 1.00 1.00 H new ATOM 0 HE2 TYR A 84 75.461 -10.899 -14.225 1.00 1.00 H new ATOM 0 HH TYR A 84 73.356 -11.139 -13.524 1.00 1.00 H new ATOM 1254 N GLY A 85 77.990 -6.432 -9.486 1.00 1.00 N ATOM 1255 CA GLY A 85 78.010 -5.292 -8.524 1.00 1.00 C ATOM 1256 C GLY A 85 77.213 -4.120 -9.101 1.00 1.00 C ATOM 1257 O GLY A 85 76.853 -3.198 -8.399 1.00 1.00 O ATOM 0 H GLY A 85 77.265 -7.129 -9.318 1.00 1.00 H new ATOM 0 HA2 GLY A 85 77.583 -5.601 -7.570 1.00 1.00 H new ATOM 0 HA3 GLY A 85 79.038 -4.985 -8.329 1.00 1.00 H new ATOM 1261 N ILE A 86 76.935 -4.153 -10.376 1.00 1.00 N ATOM 1262 CA ILE A 86 76.159 -3.045 -11.006 1.00 1.00 C ATOM 1263 C ILE A 86 76.910 -1.718 -10.848 1.00 1.00 C ATOM 1264 O ILE A 86 76.534 -0.714 -11.422 1.00 1.00 O ATOM 1265 CB ILE A 86 74.783 -2.923 -10.337 1.00 1.00 C ATOM 1266 CG1 ILE A 86 74.168 -4.316 -10.182 1.00 1.00 C ATOM 1267 CG2 ILE A 86 73.868 -2.057 -11.204 1.00 1.00 C ATOM 1268 CD1 ILE A 86 73.716 -4.830 -11.550 1.00 1.00 C ATOM 0 H ILE A 86 77.212 -4.902 -11.011 1.00 1.00 H new ATOM 0 HA ILE A 86 76.034 -3.268 -12.066 1.00 1.00 H new ATOM 0 HB ILE A 86 74.896 -2.462 -9.356 1.00 1.00 H new ATOM 0 HG12 ILE A 86 74.897 -5.000 -9.747 1.00 1.00 H new ATOM 0 HG13 ILE A 86 73.320 -4.277 -9.498 1.00 1.00 H new ATOM 0 HG21 ILE A 86 72.891 -1.971 -10.728 1.00 1.00 H new ATOM 0 HG22 ILE A 86 74.306 -1.065 -11.317 1.00 1.00 H new ATOM 0 HG23 ILE A 86 73.754 -2.517 -12.186 1.00 1.00 H new ATOM 0 HD11 ILE A 86 73.278 -5.822 -11.439 1.00 1.00 H new ATOM 0 HD12 ILE A 86 72.973 -4.150 -11.967 1.00 1.00 H new ATOM 0 HD13 ILE A 86 74.574 -4.885 -12.220 1.00 1.00 H new ATOM 1280 N CYS A 87 77.965 -1.694 -10.079 1.00 1.00 N ATOM 1281 CA CYS A 87 78.717 -0.420 -9.900 1.00 1.00 C ATOM 1282 C CYS A 87 79.549 -0.141 -11.154 1.00 1.00 C ATOM 1283 CB CYS A 87 79.643 -0.531 -8.683 1.00 1.00 C ATOM 1284 SG CYS A 87 79.040 -1.836 -7.583 1.00 1.00 S ATOM 0 H CYS A 87 78.336 -2.496 -9.570 1.00 1.00 H new ATOM 0 HA CYS A 87 78.013 0.396 -9.740 1.00 1.00 H new ATOM 0 HB2 CYS A 87 80.660 -0.754 -9.006 1.00 1.00 H new ATOM 0 HB3 CYS A 87 79.678 0.420 -8.151 1.00 1.00 H new TER 1289 CYS A 87 HETATM 1290 C1C RCY A 110 62.844 -9.667 2.354 1.00 1.00 C HETATM 1291 O1G RCY A 110 58.353 -6.875 3.491 1.00 1.00 O HETATM 1292 O1H RCY A 110 61.260 -10.326 4.883 1.00 1.00 O HETATM 1293 O1J RCY A 110 64.910 -7.528 1.881 1.00 1.00 O HETATM 1294 C1L RCY A 110 58.050 -8.854 4.898 1.00 1.00 C HETATM 1295 C1M RCY A 110 61.634 -6.362 3.498 1.00 1.00 C HETATM 1296 C1P RCY A 110 58.826 -7.898 3.984 1.00 1.00 C HETATM 1297 C1Q RCY A 110 60.270 -9.712 4.489 1.00 1.00 C HETATM 1298 N1R RCY A 110 60.261 -8.373 3.761 1.00 1.00 N HETATM 1299 C1S RCY A 110 58.825 -10.151 4.639 1.00 1.00 C HETATM 1300 C1U RCY A 110 61.402 -7.690 3.005 1.00 1.00 C HETATM 1301 C1V RCY A 110 63.041 -8.661 4.673 1.00 1.00 C HETATM 1302 N1V RCY A 110 63.688 -7.328 2.655 1.00 1.00 N HETATM 1303 C1W RCY A 110 63.071 -6.004 3.101 1.00 1.00 C HETATM 1304 C1X RCY A 110 62.745 -8.393 3.196 1.00 1.00 C HETATM 1305 C1Y RCY A 110 63.835 -5.435 4.300 1.00 1.00 C HETATM 1306 C1Z RCY A 110 63.096 -5.021 1.930 1.00 1.00 C HETATM 0 H1ZB RCY A 110 62.600 -5.468 1.069 1.00 1.00 H new HETATM 0 H1ZA RCY A 110 62.577 -4.105 2.212 1.00 1.00 H new HETATM 0 H1YB RCY A 110 63.333 -4.536 4.658 1.00 1.00 H new HETATM 0 H1YA RCY A 110 63.864 -6.177 5.098 1.00 1.00 H new HETATM 0 H1VB RCY A 110 62.324 -9.384 5.062 1.00 1.00 H new HETATM 0 H1VA RCY A 110 64.050 -9.060 4.775 1.00 1.00 H new HETATM 0 H1MA RCY A 110 60.924 -5.657 3.066 1.00 1.00 H new HETATM 0 H1LA RCY A 110 58.083 -8.550 5.944 1.00 1.00 H new HETATM 0 H1CB RCY A 110 62.052 -10.357 2.644 1.00 1.00 H new HETATM 0 H1CA RCY A 110 62.737 -9.415 1.299 1.00 1.00 H new HETATM 0 H1Z RCY A 110 64.129 -4.787 1.673 1.00 1.00 H new HETATM 0 H1Y RCY A 110 64.853 -5.187 3.999 1.00 1.00 H new HETATM 0 H1V RCY A 110 62.960 -7.731 5.235 1.00 1.00 H new HETATM 0 H1U RCY A 110 61.083 -7.710 1.963 1.00 1.00 H new HETATM 0 H1S RCY A 110 58.468 -10.653 3.740 1.00 1.00 H new HETATM 0 H1M RCY A 110 61.507 -6.321 4.580 1.00 1.00 H new HETATM 0 H1L RCY A 110 56.999 -8.934 4.622 1.00 1.00 H new HETATM 0 H1C RCY A 110 63.814 -10.137 2.518 1.00 1.00 H new HETATM 1309 C1C RCY A 121 60.352 2.437 -0.357 1.00 1.00 C HETATM 1310 O1G RCY A 121 59.262 4.132 -3.429 1.00 1.00 O HETATM 1311 O1H RCY A 121 61.426 0.055 -4.426 1.00 1.00 O HETATM 1312 O1J RCY A 121 62.673 3.841 0.950 1.00 1.00 O HETATM 1313 C1L RCY A 121 58.828 2.361 -5.060 1.00 1.00 C HETATM 1314 C1M RCY A 121 62.914 3.391 -2.851 1.00 1.00 C HETATM 1315 C1P RCY A 121 59.600 3.064 -3.937 1.00 1.00 C HETATM 1316 C1Q RCY A 121 60.837 1.130 -4.534 1.00 1.00 C HETATM 1317 N1R RCY A 121 60.842 2.274 -3.528 1.00 1.00 N HETATM 1318 C1S RCY A 121 59.967 1.561 -5.701 1.00 1.00 C HETATM 1319 C1U RCY A 121 61.840 2.551 -2.402 1.00 1.00 C HETATM 1320 C1V RCY A 121 60.464 4.567 -1.728 1.00 1.00 C HETATM 1321 N1V RCY A 121 62.483 3.746 -0.495 1.00 1.00 N HETATM 1322 C1W RCY A 121 63.504 4.040 -1.593 1.00 1.00 C HETATM 1323 C1X RCY A 121 61.223 3.331 -1.242 1.00 1.00 C HETATM 1324 C1Y RCY A 121 63.659 5.550 -1.788 1.00 1.00 C HETATM 1325 C1Z RCY A 121 64.842 3.404 -1.215 1.00 1.00 C HETATM 0 H1ZB RCY A 121 64.698 2.341 -1.021 1.00 1.00 H new HETATM 0 H1ZA RCY A 121 65.550 3.531 -2.034 1.00 1.00 H new HETATM 0 H1YB RCY A 121 64.325 5.742 -2.629 1.00 1.00 H new HETATM 0 H1YA RCY A 121 62.684 5.993 -1.989 1.00 1.00 H new HETATM 0 H1VB RCY A 121 59.595 4.256 -2.308 1.00 1.00 H new HETATM 0 H1VA RCY A 121 60.136 5.153 -0.870 1.00 1.00 H new HETATM 0 H1MA RCY A 121 63.669 2.809 -3.379 1.00 1.00 H new HETATM 0 H1LA RCY A 121 58.031 1.722 -4.681 1.00 1.00 H new HETATM 0 H1CB RCY A 121 59.544 2.012 -0.952 1.00 1.00 H new HETATM 0 H1CA RCY A 121 60.959 1.632 0.057 1.00 1.00 H new HETATM 0 H1Z RCY A 121 65.234 3.886 -0.319 1.00 1.00 H new HETATM 0 H1Y RCY A 121 64.079 5.992 -0.885 1.00 1.00 H new HETATM 0 H1V RCY A 121 61.119 5.174 -2.353 1.00 1.00 H new HETATM 0 H1U RCY A 121 62.173 1.562 -2.089 1.00 1.00 H new HETATM 0 H1S RCY A 121 60.528 2.169 -6.410 1.00 1.00 H new HETATM 0 H1M RCY A 121 62.551 4.148 -3.546 1.00 1.00 H new HETATM 0 H1L RCY A 121 58.370 3.064 -5.755 1.00 1.00 H new HETATM 1328 C1C RCY A 130 77.818 15.116 -3.061 1.00 1.00 C HETATM 1329 O1G RCY A 130 74.061 12.475 -2.105 1.00 1.00 O HETATM 1330 O1H RCY A 130 76.577 13.801 -5.875 1.00 1.00 O HETATM 1331 O1J RCY A 130 76.483 15.285 -0.368 1.00 1.00 O HETATM 1332 C1L RCY A 130 73.446 13.364 -4.300 1.00 1.00 C HETATM 1333 C1M RCY A 130 76.872 11.759 -1.824 1.00 1.00 C HETATM 1334 C1P RCY A 130 74.414 12.915 -3.198 1.00 1.00 C HETATM 1335 C1Q RCY A 130 75.728 13.756 -4.985 1.00 1.00 C HETATM 1336 N1R RCY A 130 75.871 13.082 -3.626 1.00 1.00 N HETATM 1337 C1S RCY A 130 74.339 14.365 -5.041 1.00 1.00 C HETATM 1338 C1U RCY A 130 77.150 12.680 -2.889 1.00 1.00 C HETATM 1339 C1V RCY A 130 79.237 13.503 -1.715 1.00 1.00 C HETATM 1340 N1V RCY A 130 76.897 14.035 -0.998 1.00 1.00 N HETATM 1341 C1W RCY A 130 76.494 12.614 -0.608 1.00 1.00 C HETATM 1342 C1X RCY A 130 77.827 13.858 -2.191 1.00 1.00 C HETATM 1343 C1Y RCY A 130 77.270 12.159 0.631 1.00 1.00 C HETATM 1344 C1Z RCY A 130 74.989 12.575 -0.347 1.00 1.00 C HETATM 0 H1ZB RCY A 130 74.459 12.959 -1.218 1.00 1.00 H new HETATM 0 H1ZA RCY A 130 74.679 11.547 -0.157 1.00 1.00 H new HETATM 0 H1YB RCY A 130 77.035 11.116 0.845 1.00 1.00 H new HETATM 0 H1YA RCY A 130 78.340 12.259 0.447 1.00 1.00 H new HETATM 0 H1VB RCY A 130 79.878 13.325 -2.578 1.00 1.00 H new HETATM 0 H1VA RCY A 130 79.641 14.327 -1.127 1.00 1.00 H new HETATM 0 H1MA RCY A 130 76.059 11.085 -2.094 1.00 1.00 H new HETATM 0 H1LA RCY A 130 73.126 12.539 -4.936 1.00 1.00 H new HETATM 0 H1CB RCY A 130 78.350 14.919 -3.992 1.00 1.00 H new HETATM 0 H1CA RCY A 130 76.789 15.397 -3.284 1.00 1.00 H new HETATM 0 H1Z RCY A 130 74.754 13.191 0.521 1.00 1.00 H new HETATM 0 H1Y RCY A 130 76.989 12.777 1.484 1.00 1.00 H new HETATM 0 H1V RCY A 130 79.198 12.604 -1.100 1.00 1.00 H new HETATM 0 H1U RCY A 130 77.785 12.255 -3.666 1.00 1.00 H new HETATM 0 H1S RCY A 130 74.316 15.345 -4.564 1.00 1.00 H new HETATM 0 H1M RCY A 130 77.742 11.139 -1.609 1.00 1.00 H new HETATM 0 H1L RCY A 130 72.543 13.826 -3.900 1.00 1.00 H new HETATM 0 H1C RCY A 130 78.309 15.930 -2.528 1.00 1.00 H new HETATM 1347 C1C RCY A 138 83.888 1.684 1.654 1.00 1.00 C HETATM 1348 O1G RCY A 138 82.641 5.039 -0.233 1.00 1.00 O HETATM 1349 O1H RCY A 138 87.053 3.361 -0.384 1.00 1.00 O HETATM 1350 O1J RCY A 138 81.097 2.769 1.332 1.00 1.00 O HETATM 1351 C1L RCY A 138 84.832 6.048 0.180 1.00 1.00 C HETATM 1352 C1M RCY A 138 83.122 2.370 -1.900 1.00 1.00 C HETATM 1353 C1P RCY A 138 83.862 4.908 -0.153 1.00 1.00 C HETATM 1354 C1Q RCY A 138 86.038 3.968 -0.046 1.00 1.00 C HETATM 1355 N1R RCY A 138 84.600 3.588 -0.375 1.00 1.00 N HETATM 1356 C1S RCY A 138 85.989 5.241 0.780 1.00 1.00 C HETATM 1357 C1U RCY A 138 84.047 2.230 -0.813 1.00 1.00 C HETATM 1358 C1V RCY A 138 82.939 0.080 -0.065 1.00 1.00 C HETATM 1359 N1V RCY A 138 81.951 2.363 0.219 1.00 1.00 N HETATM 1360 C1W RCY A 138 81.758 2.668 -1.265 1.00 1.00 C HETATM 1361 C1X RCY A 138 83.231 1.542 0.280 1.00 1.00 C HETATM 1362 C1Y RCY A 138 80.677 1.763 -1.862 1.00 1.00 C HETATM 1363 C1Z RCY A 138 81.379 4.140 -1.429 1.00 1.00 C HETATM 0 H1ZB RCY A 138 82.130 4.765 -0.946 1.00 1.00 H new HETATM 0 H1ZA RCY A 138 81.329 4.387 -2.490 1.00 1.00 H new HETATM 0 H1YB RCY A 138 80.611 1.935 -2.936 1.00 1.00 H new HETATM 0 H1YA RCY A 138 80.932 0.720 -1.676 1.00 1.00 H new HETATM 0 H1MA RCY A 138 83.425 3.176 -2.568 1.00 1.00 H new HETATM 0 H1LA RCY A 138 85.131 6.613 -0.703 1.00 1.00 H new HETATM 0 H1CB RCY A 138 84.879 1.232 1.632 1.00 1.00 H new HETATM 0 H1CA RCY A 138 83.977 2.740 1.907 1.00 1.00 H new HETATM 0 H1Z RCY A 138 80.407 4.319 -0.969 1.00 1.00 H new HETATM 0 H1Y RCY A 138 79.717 1.989 -1.399 1.00 1.00 H new HETATM 0 H1V RCY A 138 82.473 0.024 -1.049 1.00 1.00 H new HETATM 0 H1U RCY A 138 84.932 1.651 -1.077 1.00 1.00 H new HETATM 0 H1S RCY A 138 85.816 5.023 1.834 1.00 1.00 H new HETATM 0 H1M RCY A 138 83.083 1.459 -2.498 1.00 1.00 H new HETATM 0 H1L RCY A 138 84.410 6.762 0.887 1.00 1.00 H new HETATM 0 H1C RCY A 138 83.277 1.181 2.403 1.00 1.00 H new HETATM 1366 C1C RCY A 150 83.799 -0.596 0.497 1.00 1.00 C HETATM 1367 O1G RCY A 150 86.595 -2.868 2.524 1.00 1.00 O HETATM 1368 O1H RCY A 150 86.590 1.699 1.325 1.00 1.00 O HETATM 1369 O1J RCY A 150 84.543 2.111 -0.593 1.00 1.00 O HETATM 1370 C1L RCY A 150 86.982 -0.806 3.782 1.00 1.00 C HETATM 1371 C1M RCY A 150 87.142 -0.666 -1.089 1.00 1.00 C HETATM 1372 C1P RCY A 150 86.697 -1.643 2.529 1.00 1.00 C HETATM 1373 C1Q RCY A 150 86.882 0.619 1.835 1.00 1.00 C HETATM 1374 N1R RCY A 150 86.555 -0.764 1.287 1.00 1.00 N HETATM 1375 C1S RCY A 150 87.639 0.419 3.136 1.00 1.00 C HETATM 1376 C1U RCY A 150 86.183 -1.161 -0.143 1.00 1.00 C HETATM 1377 C1V RCY A 150 84.363 -1.179 -1.905 1.00 1.00 C HETATM 1378 N1V RCY A 150 85.301 0.889 -0.849 1.00 1.00 N HETATM 1379 C1W RCY A 150 86.711 0.768 -1.423 1.00 1.00 C HETATM 1380 C1X RCY A 150 84.861 -0.547 -0.603 1.00 1.00 C HETATM 1381 C1Y RCY A 150 86.693 0.985 -2.939 1.00 1.00 C HETATM 1382 C1Z RCY A 150 87.618 1.794 -0.743 1.00 1.00 C HETATM 0 H1ZB RCY A 150 87.571 1.661 0.338 1.00 1.00 H new HETATM 0 H1ZA RCY A 150 88.644 1.653 -1.082 1.00 1.00 H new HETATM 0 H1YB RCY A 150 87.691 0.813 -3.343 1.00 1.00 H new HETATM 0 H1YA RCY A 150 85.991 0.289 -3.398 1.00 1.00 H new HETATM 0 H1VB RCY A 150 84.104 -2.223 -1.727 1.00 1.00 H new HETATM 0 H1VA RCY A 150 83.482 -0.642 -2.257 1.00 1.00 H new HETATM 0 H1MA RCY A 150 88.148 -0.683 -0.669 1.00 1.00 H new HETATM 0 H1LA RCY A 150 86.074 -0.552 4.330 1.00 1.00 H new HETATM 0 H1CB RCY A 150 83.615 -1.633 0.779 1.00 1.00 H new HETATM 0 H1CA RCY A 150 84.150 -0.040 1.367 1.00 1.00 H new HETATM 0 H1Z RCY A 150 87.286 2.800 -1.000 1.00 1.00 H new HETATM 0 H1Y RCY A 150 86.385 2.008 -3.157 1.00 1.00 H new HETATM 0 H1V RCY A 150 85.147 -1.123 -2.660 1.00 1.00 H new HETATM 0 H1U RCY A 150 86.133 -2.249 -0.115 1.00 1.00 H new HETATM 0 H1S RCY A 150 88.701 0.250 2.955 1.00 1.00 H new HETATM 0 H1M RCY A 150 87.161 -1.286 -1.985 1.00 1.00 H new HETATM 0 H1L RCY A 150 87.645 -1.315 4.482 1.00 1.00 H new HETATM 1385 C1C RCY A 160 69.687 5.780 -0.219 1.00 1.00 C HETATM 1386 O1G RCY A 160 71.423 5.560 3.902 1.00 1.00 O HETATM 1387 O1H RCY A 160 70.836 8.784 0.502 1.00 1.00 O HETATM 1388 O1J RCY A 160 70.834 7.954 -1.960 1.00 1.00 O HETATM 1389 C1L RCY A 160 70.544 7.843 3.893 1.00 1.00 C HETATM 1390 C1M RCY A 160 73.330 6.146 0.322 1.00 1.00 C HETATM 1391 C1P RCY A 160 71.181 6.591 3.277 1.00 1.00 C HETATM 1392 C1Q RCY A 160 71.095 8.243 1.576 1.00 1.00 C HETATM 1393 N1R RCY A 160 71.477 6.784 1.791 1.00 1.00 N HETATM 1394 C1S RCY A 160 71.090 8.911 2.939 1.00 1.00 C HETATM 1395 C1U RCY A 160 72.018 5.779 0.771 1.00 1.00 C HETATM 1396 C1V RCY A 160 71.561 4.531 -1.384 1.00 1.00 C HETATM 1397 N1V RCY A 160 71.640 7.025 -1.173 1.00 1.00 N HETATM 1398 C1W RCY A 160 73.125 7.136 -0.832 1.00 1.00 C HETATM 1399 C1X RCY A 160 71.189 5.731 -0.511 1.00 1.00 C HETATM 1400 C1Y RCY A 160 73.983 6.742 -2.037 1.00 1.00 C HETATM 1401 C1Z RCY A 160 73.433 8.568 -0.396 1.00 1.00 C HETATM 0 H1ZB RCY A 160 72.771 8.849 0.423 1.00 1.00 H new HETATM 0 H1ZA RCY A 160 74.469 8.632 -0.064 1.00 1.00 H new HETATM 0 H1YB RCY A 160 75.035 6.745 -1.751 1.00 1.00 H new HETATM 0 H1YA RCY A 160 73.702 5.744 -2.373 1.00 1.00 H new HETATM 0 H1VB RCY A 160 71.282 3.609 -0.873 1.00 1.00 H new HETATM 0 H1VA RCY A 160 71.031 4.594 -2.334 1.00 1.00 H new HETATM 0 H1MA RCY A 160 73.904 6.602 1.129 1.00 1.00 H new HETATM 0 H1LA RCY A 160 69.455 7.800 3.893 1.00 1.00 H new HETATM 0 H1CB RCY A 160 69.409 4.927 0.400 1.00 1.00 H new HETATM 0 H1CA RCY A 160 69.449 6.704 0.308 1.00 1.00 H new HETATM 0 H1Z RCY A 160 73.278 9.245 -1.236 1.00 1.00 H new HETATM 0 H1Y RCY A 160 73.824 7.456 -2.846 1.00 1.00 H new HETATM 0 H1V RCY A 160 72.635 4.534 -1.567 1.00 1.00 H new HETATM 0 H1U RCY A 160 71.998 4.825 1.297 1.00 1.00 H new HETATM 0 H1S RCY A 160 72.092 9.226 3.229 1.00 1.00 H new HETATM 0 H1M RCY A 160 73.887 5.270 -0.011 1.00 1.00 H new HETATM 0 H1L RCY A 160 70.856 8.006 4.925 1.00 1.00 H new HETATM 0 H1C RCY A 160 69.133 5.744 -1.157 1.00 1.00 H new HETATM 1404 C1C RCY A 168 77.963 2.658 4.961 1.00 1.00 C HETATM 1405 O1G RCY A 168 74.346 2.737 4.890 1.00 1.00 O HETATM 1406 O1H RCY A 168 75.837 -1.697 5.538 1.00 1.00 O HETATM 1407 O1J RCY A 168 79.209 3.081 2.253 1.00 1.00 O HETATM 1408 C1L RCY A 168 73.551 0.889 6.283 1.00 1.00 C HETATM 1409 C1M RCY A 168 76.267 0.624 2.376 1.00 1.00 C HETATM 1410 C1P RCY A 168 74.456 1.564 5.244 1.00 1.00 C HETATM 1411 C1Q RCY A 168 75.120 -0.710 5.382 1.00 1.00 C HETATM 1412 N1R RCY A 168 75.510 0.598 4.704 1.00 1.00 N HETATM 1413 C1S RCY A 168 73.677 -0.570 5.832 1.00 1.00 C HETATM 1414 C1U RCY A 168 76.662 0.865 3.734 1.00 1.00 C HETATM 1415 C1V RCY A 168 75.928 3.284 3.584 1.00 1.00 C HETATM 1416 N1V RCY A 168 77.969 2.344 2.476 1.00 1.00 N HETATM 1417 C1W RCY A 168 77.242 1.421 1.500 1.00 1.00 C HETATM 1418 C1X RCY A 168 77.111 2.325 3.734 1.00 1.00 C HETATM 1419 C1Y RCY A 168 76.479 2.241 0.455 1.00 1.00 C HETATM 1420 C1Z RCY A 168 78.261 0.503 0.826 1.00 1.00 C HETATM 0 H1YB RCY A 168 75.899 1.571 -0.181 1.00 1.00 H new HETATM 0 H1YA RCY A 168 75.807 2.936 0.958 1.00 1.00 H new HETATM 0 H1VB RCY A 168 75.293 3.220 4.468 1.00 1.00 H new HETATM 0 H1VA RCY A 168 76.298 4.304 3.476 1.00 1.00 H new HETATM 0 H1MA RCY A 168 76.312 -0.439 2.140 1.00 1.00 H new HETATM 0 H1LA RCY A 168 73.901 1.042 7.304 1.00 1.00 H new HETATM 0 H1CB RCY A 168 77.383 2.479 5.866 1.00 1.00 H new HETATM 0 H1CA RCY A 168 78.852 2.027 4.969 1.00 1.00 H new HETATM 0 H1Y RCY A 168 77.187 2.800 -0.157 1.00 1.00 H new HETATM 0 H1V RCY A 168 75.349 3.013 2.701 1.00 1.00 H new HETATM 0 H1U RCY A 168 77.457 0.201 4.072 1.00 1.00 H new HETATM 0 H1S RCY A 168 72.985 -0.795 5.020 1.00 1.00 H new HETATM 0 H1M RCY A 168 75.239 0.945 2.206 1.00 1.00 H new HETATM 0 H1L RCY A 168 72.524 1.252 6.241 1.00 1.00 H new HETATM 0 H1C RCY A 168 78.262 3.706 4.923 1.00 1.00 H new HETATM 1423 C1C RCY A 173 77.028 -5.088 4.835 1.00 1.00 C HETATM 1424 O1G RCY A 173 75.215 -9.162 1.392 1.00 1.00 O HETATM 1425 O1H RCY A 173 77.343 -9.209 2.296 1.00 1.00 O HETATM 1426 O1J RCY A 173 76.365 -2.524 3.402 1.00 1.00 O HETATM 1427 C1L RCY A 173 76.585 -8.268 3.258 1.00 1.00 C HETATM 1428 C1M RCY A 173 75.027 -5.737 1.791 1.00 1.00 C HETATM 1429 C1P RCY A 173 75.402 -8.909 2.564 1.00 1.00 C HETATM 1430 C1Q RCY A 173 76.421 -8.908 3.026 1.00 1.00 C HETATM 1431 N1R RCY A 173 75.722 -7.556 3.259 1.00 1.00 N HETATM 1432 C1S RCY A 173 75.133 -8.175 2.722 1.00 1.00 C HETATM 1433 C1U RCY A 173 75.984 -6.138 2.782 1.00 1.00 C HETATM 1434 C1V RCY A 173 74.506 -5.276 4.648 1.00 1.00 C HETATM 1435 N1V RCY A 173 75.790 -3.823 3.063 1.00 1.00 N HETATM 1436 C1W RCY A 173 75.022 -4.203 1.799 1.00 1.00 C HETATM 1437 C1X RCY A 173 75.824 -5.100 3.891 1.00 1.00 C HETATM 1438 C1Y RCY A 173 73.588 -3.669 1.863 1.00 1.00 C HETATM 1439 C1Z RCY A 173 75.752 -3.639 0.580 1.00 1.00 C HETATM 0 H1ZB RCY A 173 76.787 -3.982 0.584 1.00 1.00 H new HETATM 0 H1ZA RCY A 173 75.260 -3.982 -0.330 1.00 1.00 H new HETATM 0 H1YB RCY A 173 73.030 -4.019 0.994 1.00 1.00 H new HETATM 0 H1YA RCY A 173 73.106 -4.028 2.772 1.00 1.00 H new HETATM 0 H1VA RCY A 173 74.378 -4.454 5.352 1.00 1.00 H new HETATM 0 H1MA RCY A 173 75.300 -6.120 0.808 1.00 1.00 H new HETATM 0 H1LA RCY A 173 76.858 -8.424 4.302 1.00 1.00 H new HETATM 0 H1CB RCY A 173 77.137 -6.069 5.298 1.00 1.00 H new HETATM 0 H1Z RCY A 173 75.731 -2.550 0.615 1.00 1.00 H new HETATM 0 H1Y RCY A 173 73.605 -2.579 1.868 1.00 1.00 H new HETATM 0 H1U RCY A 173 77.006 -6.166 2.404 1.00 1.00 H new HETATM 0 H1M RCY A 173 74.038 -6.131 2.023 1.00 1.00 H new HETATM 1442 C1C RCY A 176 83.193 -2.359 3.776 1.00 1.00 C HETATM 1443 O1G RCY A 176 84.443 -2.413 -0.298 1.00 1.00 O HETATM 1444 O1H RCY A 176 81.114 -5.457 1.098 1.00 1.00 O HETATM 1445 O1J RCY A 176 80.846 -0.753 4.766 1.00 1.00 O HETATM 1446 C1L RCY A 176 84.044 -4.783 -0.754 1.00 1.00 C HETATM 1447 C1M RCY A 176 80.502 -2.219 1.239 1.00 1.00 C HETATM 1448 C1P RCY A 176 83.771 -3.423 -0.099 1.00 1.00 C HETATM 1449 C1Q RCY A 176 82.196 -4.959 0.789 1.00 1.00 C HETATM 1450 N1R RCY A 176 82.561 -3.480 0.831 1.00 1.00 N HETATM 1451 C1S RCY A 176 83.418 -5.710 0.294 1.00 1.00 C HETATM 1452 C1U RCY A 176 81.882 -2.351 1.609 1.00 1.00 C HETATM 1453 C1V RCY A 176 81.298 -4.008 3.433 1.00 1.00 C HETATM 1454 N1V RCY A 176 80.834 -1.549 3.543 1.00 1.00 N HETATM 1455 C1W RCY A 176 79.813 -1.502 2.408 1.00 1.00 C HETATM 1456 C1X RCY A 176 81.837 -2.612 3.114 1.00 1.00 C HETATM 1457 C1Y RCY A 176 78.531 -2.236 2.809 1.00 1.00 C HETATM 1458 C1Z RCY A 176 79.514 -0.043 2.065 1.00 1.00 C HETATM 0 H1YB RCY A 176 77.848 -2.265 1.960 1.00 1.00 H new HETATM 0 H1YA RCY A 176 78.775 -3.254 3.113 1.00 1.00 H new HETATM 0 H1VB RCY A 176 81.999 -4.760 3.072 1.00 1.00 H new HETATM 0 H1VA RCY A 176 81.176 -4.113 4.511 1.00 1.00 H new HETATM 0 H1LA RCY A 176 83.571 -4.878 -1.731 1.00 1.00 H new HETATM 0 H1CB RCY A 176 83.941 -3.019 3.337 1.00 1.00 H new HETATM 0 H1CA RCY A 176 83.487 -1.321 3.618 1.00 1.00 H new HETATM 0 H1Z RCY A 176 79.026 0.437 2.913 1.00 1.00 H new HETATM 0 H1Y RCY A 176 78.057 -1.713 3.639 1.00 1.00 H new HETATM 0 H1V RCY A 176 80.334 -4.146 2.944 1.00 1.00 H new HETATM 0 H1U RCY A 176 82.474 -1.467 1.373 1.00 1.00 H new HETATM 0 H1S RCY A 176 84.114 -5.915 1.108 1.00 1.00 H new HETATM 0 H1L RCY A 176 85.108 -4.972 -0.896 1.00 1.00 H new HETATM 0 H1C RCY A 176 83.118 -2.556 4.845 1.00 1.00 H new HETATM 1461 C1C RCY A 187 75.916 -1.354 -2.046 1.00 1.00 C HETATM 1462 O1G RCY A 187 78.923 1.489 -3.667 1.00 1.00 O HETATM 1463 O1H RCY A 187 78.361 -3.031 -4.915 1.00 1.00 O HETATM 1464 O1J RCY A 187 76.441 -1.191 0.914 1.00 1.00 O HETATM 1465 C1L RCY A 187 78.944 0.331 -5.823 1.00 1.00 C HETATM 1466 C1M RCY A 187 79.509 -0.805 -1.353 1.00 1.00 C HETATM 1467 C1P RCY A 187 78.854 0.433 -4.295 1.00 1.00 C HETATM 1468 C1Q RCY A 187 78.767 -1.872 -4.850 1.00 1.00 C HETATM 1469 N1R RCY A 187 78.669 -0.939 -3.650 1.00 1.00 N HETATM 1470 C1S RCY A 187 79.463 -1.105 -5.960 1.00 1.00 C HETATM 1471 C1U RCY A 187 78.444 -1.297 -2.179 1.00 1.00 C HETATM 1472 C1V RCY A 187 77.145 0.858 -1.893 1.00 1.00 C HETATM 1473 N1V RCY A 187 77.432 -0.877 -0.111 1.00 1.00 N HETATM 1474 C1W RCY A 187 78.940 -0.713 0.068 1.00 1.00 C HETATM 1475 C1X RCY A 187 77.193 -0.642 -1.596 1.00 1.00 C HETATM 1476 C1Y RCY A 187 79.260 0.650 0.688 1.00 1.00 C HETATM 1477 C1Z RCY A 187 79.466 -1.844 0.952 1.00 1.00 C HETATM 0 H1VB RCY A 187 77.028 1.013 -2.966 1.00 1.00 H new HETATM 0 H1VA RCY A 187 76.302 1.306 -1.368 1.00 1.00 H new HETATM 0 H1MA RCY A 187 80.368 -1.475 -1.386 1.00 1.00 H new HETATM 0 H1LA RCY A 187 77.979 0.474 -6.308 1.00 1.00 H new HETATM 0 H1CB RCY A 187 75.844 -1.320 -3.133 1.00 1.00 H new HETATM 0 H1CA RCY A 187 75.943 -2.393 -1.716 1.00 1.00 H new HETATM 0 H1V RCY A 187 78.071 1.325 -1.558 1.00 1.00 H new HETATM 0 H1U RCY A 187 78.368 -2.384 -2.175 1.00 1.00 H new HETATM 0 H1S RCY A 187 80.547 -1.147 -5.851 1.00 1.00 H new HETATM 0 H1M RCY A 187 79.852 0.170 -1.699 1.00 1.00 H new HETATM 0 H1L RCY A 187 79.628 1.064 -6.251 1.00 1.00 H new HETATM 0 H1C RCY A 187 75.049 -0.857 -1.610 1.00 1.00 H new