USER MOD reduce.3.24.130724 H: found=0, std=0, add=795, rem=0, adj=16 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 29 LYS H : A 29 LYS N : A 130 RCY C1C :(H bumps) USER MOD NoAdj-H: A 30 CYS H : A 30 CYS N : A 130 RCY O1H :(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 130 RCYH1VA : A 130 RCY C1V : A 28 PRO CG :(H bumps) USER MOD NoAdj-H: A 130 RCYH1SA : A 130 RCY C1S : A 30 CYS SG :(H bumps) USER MOD NoAdj-H: A 130 RCYH1CB : A 130 RCY C1C : A 29 LYS N :(H bumps) USER MOD NoAdj-H: A 130 RCY H1V : A 130 RCY C1V : A 28 PRO CG :(H bumps) USER MOD NoAdj-H: A 130 RCY H1C : A 130 RCY C1C : A 29 LYS N :(H bumps) USER MOD NoAdj-H: A 138 RCYH1YB : A 138 RCY C1Y : A 37 GLN CD :(H bumps) USER MOD NoAdj-H: A 138 RCYH1SA : A 138 RCY C1S : A 150 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 138 RCYH1MA : A 138 RCY C1M : A 37 GLN CA :(H bumps) USER MOD NoAdj-H: A 138 RCY H1U : A 138 RCY C1U : A 37 GLN CA :(H bumps) USER MOD NoAdj-H: A 138 RCY H1S : A 138 RCY C1S : A 150 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 138 RCY H1M : A 138 RCY C1M : A 37 GLN CG :(H bumps) USER MOD NoAdj-H: A 150 RCYH1YB : A 150 RCY C1Y : A 138 RCY C1S :(H bumps) USER MOD NoAdj-H: A 150 RCYH1YA : A 150 RCY C1Y : A 138 RCY C1S :(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 H1Y : A 150 RCY C1Y : A 138 RCY C1S :(H bumps) USER MOD NoAdj-H: A 150 RCY H1M : A 150 RCY C1M : A 138 RCY O1H :(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 RCYH1SA : A 168 RCY C1S : A 68 CYS SG :(H bumps) USER MOD NoAdj-H: A 168 RCYH1LA : A 168 RCY C1L : A 160 RCY N1V :(H bumps) USER MOD NoAdj-H: A 173 RCYH1SA : A 173 RCY C1S : A 73 CYS SG :(H bumps) USER MOD NoAdj-H: A 173 RCY H1S : A 173 RCY C1S : A 176 RCY O1G :(H bumps) USER MOD NoAdj-H: A 173 RCY H1L : A 173 RCY C1L : A 176 RCY C1P :(H bumps) USER MOD NoAdj-H: A 176 RCYH1ZB : A 176 RCY C1Z : A 87 CYS SG :(H bumps) USER MOD NoAdj-H: A 176 RCYH1ZA : A 176 RCY C1Z : A 187 RCY C1S :(H bumps) USER MOD NoAdj-H: A 176 RCYH1YB : A 176 RCY C1Y : A 187 RCY C1Q :(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 O1H :(H bumps) USER MOD NoAdj-H: A 176 RCY H1Z : A 176 RCY C1Z : A 187 RCY C1S :(H bumps) USER MOD NoAdj-H: A 176 RCY H1U : A 176 RCY C1U : A 86 ILE O :(H bumps) USER MOD NoAdj-H: A 187 RCYH1ZB : A 187 RCY C1Z : A 87 CYS C :(H bumps) USER MOD NoAdj-H: A 187 RCYH1ZA : A 187 RCY C1Z : A 87 CYS C :(H bumps) USER MOD NoAdj-H: A 187 RCYH1SA : A 187 RCY C1S : A 176 RCY C1Z :(H bumps) USER MOD NoAdj-H: A 187 RCY H1S : A 187 RCY C1S : A 176 RCY C1Z :(H bumps) USER MOD Set 1.1: A 1 MET N :NH3+ -158:sc= -0.0338 (180deg=-0.6) USER MOD Set 1.2: A 2 ASN : amide:sc= -2.11! C(o=-2.1!,f=-13!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 144:sc= -0.0718! USER MOD Single : A 14 THR OG1 : rot -69:sc= 0.59 USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -100:sc= -0.466 (180deg=-1.6!) USER MOD Single : A 31 LYS NZ :NH3+ -167:sc= -0.418 (180deg=-0.74) USER MOD Single : A 32 GLN : amide:sc= -10.3! C(o=-10!,f=-17!) USER MOD Single : A 34 GLN : amide:sc= -0.254 K(o=-0.25,f=-2.7!) USER MOD Single : A 35 THR OG1 : rot 132:sc= 0.566 USER MOD Single : A 37 GLN :FLIP amide:sc= -38.3! C(o=-42!,f=-38!) USER MOD Single : A 39 LYS NZ :NH3+ -150:sc= -2.05 (180deg=-5.04!) USER MOD Single : A 40 SER OG : rot 180:sc= -1.89! USER MOD Single : A 41 LYS NZ :NH3+ -164:sc=-0.00949 (180deg=-0.313) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ -164:sc= -0.0553 (180deg=-0.461) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot -35:sc= -0.197 USER MOD Single : A 74 ASN :FLIP amide:sc= 0 F(o=-0.77,f=0) USER MOD Single : A 75 HIS : no HD1:sc= -4.37! C(o=-4.4!,f=-5.2!) USER MOD Single : A 79 HIS : no HD1:sc= -0.879! C(o=-0.88!,f=-1.3!) USER MOD Single : A 83 GLN : amide:sc= -0.777 K(o=-0.78,f=-7.2!) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 58.361 -6.030 -14.521 1.00 1.00 N ATOM 2 CA MET A 1 58.653 -6.296 -13.085 1.00 1.00 C ATOM 3 C MET A 1 57.348 -6.597 -12.346 1.00 1.00 C ATOM 4 O MET A 1 56.981 -5.913 -11.410 1.00 1.00 O ATOM 5 CB MET A 1 59.319 -5.066 -12.463 1.00 1.00 C ATOM 6 CG MET A 1 60.451 -4.584 -13.372 1.00 1.00 C ATOM 7 SD MET A 1 61.496 -3.416 -12.466 1.00 1.00 S ATOM 8 CE MET A 1 60.573 -1.916 -12.881 1.00 1.00 C ATOM 0 H1 MET A 1 59.219 -6.193 -15.086 1.00 1.00 H new ATOM 0 H2 MET A 1 57.606 -6.668 -14.846 1.00 1.00 H new ATOM 0 H3 MET A 1 58.054 -5.043 -14.636 1.00 1.00 H new ATOM 0 HA MET A 1 59.323 -7.152 -13.004 1.00 1.00 H new ATOM 0 HB2 MET A 1 58.585 -4.272 -12.326 1.00 1.00 H new ATOM 0 HB3 MET A 1 59.711 -5.311 -11.476 1.00 1.00 H new ATOM 0 HG2 MET A 1 61.045 -5.432 -13.712 1.00 1.00 H new ATOM 0 HG3 MET A 1 60.040 -4.106 -14.261 1.00 1.00 H new ATOM 0 HE1 MET A 1 61.052 -1.054 -12.416 1.00 1.00 H new ATOM 0 HE2 MET A 1 60.560 -1.784 -13.963 1.00 1.00 H new ATOM 0 HE3 MET A 1 59.550 -2.005 -12.514 1.00 1.00 H new ATOM 17 N ASN A 2 56.642 -7.614 -12.758 1.00 1.00 N ATOM 18 CA ASN A 2 55.361 -7.956 -12.078 1.00 1.00 C ATOM 19 C ASN A 2 54.769 -9.219 -12.708 1.00 1.00 C ATOM 20 O ASN A 2 54.698 -10.260 -12.085 1.00 1.00 O ATOM 21 CB ASN A 2 54.376 -6.794 -12.235 1.00 1.00 C ATOM 22 CG ASN A 2 54.475 -6.228 -13.653 1.00 1.00 C ATOM 23 OD1 ASN A 2 55.152 -6.783 -14.495 1.00 1.00 O ATOM 24 ND2 ASN A 2 53.823 -5.138 -13.954 1.00 1.00 N ATOM 0 H ASN A 2 56.897 -8.223 -13.536 1.00 1.00 H new ATOM 0 HA ASN A 2 55.547 -8.134 -11.019 1.00 1.00 H new ATOM 0 HB2 ASN A 2 53.360 -7.136 -12.039 1.00 1.00 H new ATOM 0 HB3 ASN A 2 54.597 -6.015 -11.505 1.00 1.00 H new ATOM 0 HD21 ASN A 2 53.882 -4.752 -14.896 1.00 1.00 H new ATOM 0 HD22 ASN A 2 53.254 -4.672 -13.247 1.00 1.00 H new ATOM 31 N LEU A 3 54.344 -9.137 -13.939 1.00 1.00 N ATOM 32 CA LEU A 3 53.757 -10.333 -14.607 1.00 1.00 C ATOM 33 C LEU A 3 52.706 -10.962 -13.689 1.00 1.00 C ATOM 34 O LEU A 3 51.662 -10.391 -13.443 1.00 1.00 O ATOM 35 CB LEU A 3 54.864 -11.352 -14.894 1.00 1.00 C ATOM 36 CG LEU A 3 55.665 -10.905 -16.118 1.00 1.00 C ATOM 37 CD1 LEU A 3 56.173 -9.478 -15.903 1.00 1.00 C ATOM 38 CD2 LEU A 3 56.857 -11.844 -16.316 1.00 1.00 C ATOM 0 H LEU A 3 54.378 -8.293 -14.511 1.00 1.00 H new ATOM 0 HA LEU A 3 53.288 -10.035 -15.545 1.00 1.00 H new ATOM 0 HB2 LEU A 3 55.522 -11.443 -14.030 1.00 1.00 H new ATOM 0 HB3 LEU A 3 54.430 -12.336 -15.070 1.00 1.00 H new ATOM 0 HG LEU A 3 55.026 -10.934 -17.001 1.00 1.00 H new ATOM 0 HD11 LEU A 3 56.744 -9.160 -16.775 1.00 1.00 H new ATOM 0 HD12 LEU A 3 55.325 -8.808 -15.760 1.00 1.00 H new ATOM 0 HD13 LEU A 3 56.812 -9.448 -15.021 1.00 1.00 H new ATOM 0 HD21 LEU A 3 57.429 -11.527 -17.188 1.00 1.00 H new ATOM 0 HD22 LEU A 3 57.495 -11.813 -15.433 1.00 1.00 H new ATOM 0 HD23 LEU A 3 56.497 -12.862 -16.469 1.00 1.00 H new ATOM 50 N GLU A 4 52.972 -12.134 -13.180 1.00 1.00 N ATOM 51 CA GLU A 4 51.987 -12.796 -12.278 1.00 1.00 C ATOM 52 C GLU A 4 52.127 -12.217 -10.865 1.00 1.00 C ATOM 53 O GLU A 4 53.199 -11.812 -10.463 1.00 1.00 O ATOM 54 CB GLU A 4 52.263 -14.301 -12.243 1.00 1.00 C ATOM 55 CG GLU A 4 51.873 -14.923 -13.585 1.00 1.00 C ATOM 56 CD GLU A 4 52.830 -14.431 -14.673 1.00 1.00 C ATOM 57 OE1 GLU A 4 54.028 -14.562 -14.484 1.00 1.00 O ATOM 58 OE2 GLU A 4 52.348 -13.932 -15.677 1.00 1.00 O ATOM 0 H GLU A 4 53.828 -12.662 -13.350 1.00 1.00 H new ATOM 0 HA GLU A 4 50.976 -12.621 -12.646 1.00 1.00 H new ATOM 0 HB2 GLU A 4 53.318 -14.483 -12.039 1.00 1.00 H new ATOM 0 HB3 GLU A 4 51.697 -14.767 -11.436 1.00 1.00 H new ATOM 0 HG2 GLU A 4 51.910 -16.010 -13.518 1.00 1.00 H new ATOM 0 HG3 GLU A 4 50.848 -14.653 -13.839 1.00 1.00 H new ATOM 65 N PRO A 5 51.054 -12.179 -10.113 1.00 1.00 N ATOM 66 CA PRO A 5 51.069 -11.643 -8.725 1.00 1.00 C ATOM 67 C PRO A 5 52.340 -12.050 -7.960 1.00 1.00 C ATOM 68 O PRO A 5 52.700 -13.210 -7.933 1.00 1.00 O ATOM 69 CB PRO A 5 49.834 -12.283 -8.091 1.00 1.00 C ATOM 70 CG PRO A 5 48.878 -12.486 -9.221 1.00 1.00 C ATOM 71 CD PRO A 5 49.712 -12.645 -10.498 1.00 1.00 C ATOM 0 HA PRO A 5 51.060 -10.553 -8.703 1.00 1.00 H new ATOM 0 HB2 PRO A 5 50.083 -13.229 -7.610 1.00 1.00 H new ATOM 0 HB3 PRO A 5 49.406 -11.638 -7.323 1.00 1.00 H new ATOM 0 HG2 PRO A 5 48.263 -13.370 -9.051 1.00 1.00 H new ATOM 0 HG3 PRO A 5 48.199 -11.637 -9.308 1.00 1.00 H new ATOM 0 HD2 PRO A 5 49.732 -13.682 -10.834 1.00 1.00 H new ATOM 0 HD3 PRO A 5 49.304 -12.052 -11.317 1.00 1.00 H new ATOM 79 N PRO A 6 53.017 -11.110 -7.342 1.00 1.00 N ATOM 80 CA PRO A 6 54.260 -11.400 -6.571 1.00 1.00 C ATOM 81 C PRO A 6 53.959 -12.032 -5.208 1.00 1.00 C ATOM 82 O PRO A 6 52.907 -11.823 -4.636 1.00 1.00 O ATOM 83 CB PRO A 6 54.902 -10.022 -6.398 1.00 1.00 C ATOM 84 CG PRO A 6 53.758 -9.062 -6.414 1.00 1.00 C ATOM 85 CD PRO A 6 52.677 -9.678 -7.308 1.00 1.00 C ATOM 0 HA PRO A 6 54.902 -12.118 -7.082 1.00 1.00 H new ATOM 0 HB2 PRO A 6 55.458 -9.959 -5.462 1.00 1.00 H new ATOM 0 HB3 PRO A 6 55.607 -9.810 -7.202 1.00 1.00 H new ATOM 0 HG2 PRO A 6 53.378 -8.896 -5.406 1.00 1.00 H new ATOM 0 HG3 PRO A 6 54.072 -8.092 -6.800 1.00 1.00 H new ATOM 0 HD2 PRO A 6 51.680 -9.514 -6.899 1.00 1.00 H new ATOM 0 HD3 PRO A 6 52.688 -9.241 -8.307 1.00 1.00 H new ATOM 93 N LYS A 7 54.873 -12.802 -4.683 1.00 1.00 N ATOM 94 CA LYS A 7 54.635 -13.443 -3.360 1.00 1.00 C ATOM 95 C LYS A 7 54.591 -12.368 -2.272 1.00 1.00 C ATOM 96 O LYS A 7 55.454 -12.297 -1.420 1.00 1.00 O ATOM 97 CB LYS A 7 55.768 -14.427 -3.058 1.00 1.00 C ATOM 98 CG LYS A 7 56.048 -15.281 -4.296 1.00 1.00 C ATOM 99 CD LYS A 7 57.160 -16.284 -3.985 1.00 1.00 C ATOM 100 CE LYS A 7 56.567 -17.499 -3.269 1.00 1.00 C ATOM 101 NZ LYS A 7 57.595 -18.574 -3.181 1.00 1.00 N ATOM 0 H LYS A 7 55.773 -13.014 -5.113 1.00 1.00 H new ATOM 0 HA LYS A 7 53.685 -13.977 -3.382 1.00 1.00 H new ATOM 0 HB2 LYS A 7 56.667 -13.884 -2.767 1.00 1.00 H new ATOM 0 HB3 LYS A 7 55.495 -15.065 -2.217 1.00 1.00 H new ATOM 0 HG2 LYS A 7 55.143 -15.808 -4.599 1.00 1.00 H new ATOM 0 HG3 LYS A 7 56.341 -14.645 -5.131 1.00 1.00 H new ATOM 0 HD2 LYS A 7 57.651 -16.596 -4.907 1.00 1.00 H new ATOM 0 HD3 LYS A 7 57.921 -15.817 -3.361 1.00 1.00 H new ATOM 0 HE2 LYS A 7 56.232 -17.218 -2.270 1.00 1.00 H new ATOM 0 HE3 LYS A 7 55.692 -17.861 -3.808 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 57.192 -19.400 -2.694 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 57.894 -18.848 -4.139 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 58.417 -18.225 -2.648 1.00 1.00 H new ATOM 115 N ALA A 8 53.591 -11.528 -2.295 1.00 1.00 N ATOM 116 CA ALA A 8 53.490 -10.457 -1.263 1.00 1.00 C ATOM 117 C ALA A 8 52.662 -10.966 -0.081 1.00 1.00 C ATOM 118 O ALA A 8 51.496 -10.654 0.053 1.00 1.00 O ATOM 119 CB ALA A 8 52.810 -9.228 -1.869 1.00 1.00 C ATOM 0 H ALA A 8 52.839 -11.538 -2.985 1.00 1.00 H new ATOM 0 HA ALA A 8 54.489 -10.188 -0.919 1.00 1.00 H new ATOM 0 HB1 ALA A 8 52.736 -8.444 -1.115 1.00 1.00 H new ATOM 0 HB2 ALA A 8 53.398 -8.866 -2.712 1.00 1.00 H new ATOM 0 HB3 ALA A 8 51.811 -9.497 -2.212 1.00 1.00 H new ATOM 125 N GLU A 9 53.256 -11.749 0.778 1.00 1.00 N ATOM 126 CA GLU A 9 52.504 -12.279 1.951 1.00 1.00 C ATOM 127 C GLU A 9 53.482 -12.590 3.085 1.00 1.00 C ATOM 128 O GLU A 9 54.361 -13.417 2.950 1.00 1.00 O ATOM 129 CB GLU A 9 51.767 -13.558 1.548 1.00 1.00 C ATOM 130 CG GLU A 9 51.031 -14.128 2.762 1.00 1.00 C ATOM 131 CD GLU A 9 50.035 -15.194 2.302 1.00 1.00 C ATOM 132 OE1 GLU A 9 49.269 -14.908 1.396 1.00 1.00 O ATOM 133 OE2 GLU A 9 50.054 -16.277 2.863 1.00 1.00 O ATOM 0 H GLU A 9 54.230 -12.045 0.718 1.00 1.00 H new ATOM 0 HA GLU A 9 51.783 -11.534 2.287 1.00 1.00 H new ATOM 0 HB2 GLU A 9 51.059 -13.345 0.747 1.00 1.00 H new ATOM 0 HB3 GLU A 9 52.475 -14.291 1.161 1.00 1.00 H new ATOM 0 HG2 GLU A 9 51.745 -14.561 3.463 1.00 1.00 H new ATOM 0 HG3 GLU A 9 50.508 -13.331 3.291 1.00 1.00 H new ATOM 140 N CYS A 10 53.337 -11.932 4.203 1.00 1.00 N ATOM 141 CA CYS A 10 54.259 -12.191 5.344 1.00 1.00 C ATOM 142 C CYS A 10 53.701 -11.536 6.609 1.00 1.00 C ATOM 143 O CYS A 10 52.751 -10.780 6.561 1.00 1.00 O ATOM 144 CB CYS A 10 55.636 -11.603 5.030 1.00 1.00 C ATOM 145 SG CYS A 10 55.557 -9.797 5.122 1.00 1.00 S ATOM 0 H CYS A 10 52.620 -11.227 4.375 1.00 1.00 H new ATOM 0 HA CYS A 10 54.350 -13.266 5.501 1.00 1.00 H new ATOM 0 HB2 CYS A 10 56.375 -11.982 5.737 1.00 1.00 H new ATOM 0 HB3 CYS A 10 55.958 -11.913 4.036 1.00 1.00 H new ATOM 150 N ARG A 11 54.283 -11.820 7.742 1.00 1.00 N ATOM 151 CA ARG A 11 53.785 -11.213 9.009 1.00 1.00 C ATOM 152 C ARG A 11 54.391 -9.819 9.181 1.00 1.00 C ATOM 153 O ARG A 11 55.590 -9.639 9.104 1.00 1.00 O ATOM 154 CB ARG A 11 54.196 -12.095 10.191 1.00 1.00 C ATOM 155 CG ARG A 11 53.349 -13.369 10.197 1.00 1.00 C ATOM 156 CD ARG A 11 53.670 -14.191 11.447 1.00 1.00 C ATOM 157 NE ARG A 11 52.663 -15.278 11.598 1.00 1.00 N ATOM 158 CZ ARG A 11 51.457 -14.998 12.010 1.00 1.00 C ATOM 159 NH1 ARG A 11 51.133 -13.765 12.289 1.00 1.00 N ATOM 160 NH2 ARG A 11 50.575 -15.951 12.143 1.00 1.00 N ATOM 0 H ARG A 11 55.082 -12.446 7.845 1.00 1.00 H new ATOM 0 HA ARG A 11 52.698 -11.135 8.972 1.00 1.00 H new ATOM 0 HB2 ARG A 11 55.253 -12.349 10.118 1.00 1.00 H new ATOM 0 HB3 ARG A 11 54.062 -11.552 11.127 1.00 1.00 H new ATOM 0 HG2 ARG A 11 52.289 -13.114 10.179 1.00 1.00 H new ATOM 0 HG3 ARG A 11 53.551 -13.956 9.301 1.00 1.00 H new ATOM 0 HD2 ARG A 11 54.671 -14.616 11.369 1.00 1.00 H new ATOM 0 HD3 ARG A 11 53.664 -13.550 12.328 1.00 1.00 H new ATOM 0 HE ARG A 11 52.916 -16.242 11.379 1.00 1.00 H new ATOM 0 HH11 ARG A 11 51.822 -13.021 12.185 1.00 1.00 H new ATOM 0 HH12 ARG A 11 50.190 -13.546 12.611 1.00 1.00 H new ATOM 0 HH21 ARG A 11 50.829 -16.915 11.925 1.00 1.00 H new ATOM 0 HH22 ARG A 11 49.632 -15.732 12.465 1.00 1.00 H new ATOM 174 N SER A 12 53.571 -8.830 9.414 1.00 1.00 N ATOM 175 CA SER A 12 54.102 -7.450 9.591 1.00 1.00 C ATOM 176 C SER A 12 54.891 -7.373 10.900 1.00 1.00 C ATOM 177 O SER A 12 55.861 -8.079 11.091 1.00 1.00 O ATOM 178 CB SER A 12 52.939 -6.458 9.636 1.00 1.00 C ATOM 179 OG SER A 12 52.186 -6.672 10.822 1.00 1.00 O ATOM 0 H SER A 12 52.558 -8.919 9.489 1.00 1.00 H new ATOM 0 HA SER A 12 54.758 -7.202 8.756 1.00 1.00 H new ATOM 0 HB2 SER A 12 53.316 -5.436 9.610 1.00 1.00 H new ATOM 0 HB3 SER A 12 52.303 -6.585 8.760 1.00 1.00 H new ATOM 0 HG SER A 12 51.864 -5.812 11.165 1.00 1.00 H new ATOM 185 N ALA A 13 54.484 -6.522 11.802 1.00 1.00 N ATOM 186 CA ALA A 13 55.211 -6.400 13.099 1.00 1.00 C ATOM 187 C ALA A 13 56.548 -5.690 12.869 1.00 1.00 C ATOM 188 O ALA A 13 57.249 -5.352 13.802 1.00 1.00 O ATOM 189 CB ALA A 13 55.459 -7.796 13.682 1.00 1.00 C ATOM 0 H ALA A 13 53.679 -5.905 11.697 1.00 1.00 H new ATOM 0 HA ALA A 13 54.611 -5.820 13.800 1.00 1.00 H new ATOM 0 HB1 ALA A 13 55.990 -7.706 14.629 1.00 1.00 H new ATOM 0 HB2 ALA A 13 54.505 -8.296 13.847 1.00 1.00 H new ATOM 0 HB3 ALA A 13 56.059 -8.380 12.984 1.00 1.00 H new ATOM 195 N THR A 14 56.904 -5.459 11.633 1.00 1.00 N ATOM 196 CA THR A 14 58.194 -4.767 11.338 1.00 1.00 C ATOM 197 C THR A 14 57.979 -3.755 10.212 1.00 1.00 C ATOM 198 O THR A 14 58.225 -4.034 9.056 1.00 1.00 O ATOM 199 CB THR A 14 59.243 -5.796 10.906 1.00 1.00 C ATOM 200 OG1 THR A 14 60.293 -5.136 10.213 1.00 1.00 O ATOM 201 CG2 THR A 14 58.595 -6.834 9.987 1.00 1.00 C ATOM 0 H THR A 14 56.356 -5.720 10.813 1.00 1.00 H new ATOM 0 HA THR A 14 58.542 -4.251 12.233 1.00 1.00 H new ATOM 0 HB THR A 14 59.646 -6.296 11.786 1.00 1.00 H new ATOM 0 HG1 THR A 14 59.962 -4.813 9.349 1.00 1.00 H new ATOM 0 HG21 THR A 14 59.343 -7.566 9.680 1.00 1.00 H new ATOM 0 HG22 THR A 14 57.790 -7.340 10.520 1.00 1.00 H new ATOM 0 HG23 THR A 14 58.190 -6.337 9.105 1.00 1.00 H new ATOM 209 N ARG A 15 57.519 -2.578 10.542 1.00 1.00 N ATOM 210 CA ARG A 15 57.287 -1.545 9.493 1.00 1.00 C ATOM 211 C ARG A 15 57.358 -0.155 10.129 1.00 1.00 C ATOM 212 O ARG A 15 56.700 0.770 9.697 1.00 1.00 O ATOM 213 CB ARG A 15 55.906 -1.758 8.860 1.00 1.00 C ATOM 214 CG ARG A 15 54.925 -2.255 9.924 1.00 1.00 C ATOM 215 CD ARG A 15 54.838 -1.230 11.057 1.00 1.00 C ATOM 216 NE ARG A 15 53.595 -1.465 11.844 1.00 1.00 N ATOM 217 CZ ARG A 15 52.434 -1.144 11.342 1.00 1.00 C ATOM 218 NH1 ARG A 15 52.361 -0.618 10.150 1.00 1.00 N ATOM 219 NH2 ARG A 15 51.345 -1.350 12.032 1.00 1.00 N ATOM 0 H ARG A 15 57.294 -2.288 11.494 1.00 1.00 H new ATOM 0 HA ARG A 15 58.051 -1.629 8.720 1.00 1.00 H new ATOM 0 HB2 ARG A 15 55.546 -0.825 8.426 1.00 1.00 H new ATOM 0 HB3 ARG A 15 55.975 -2.482 8.048 1.00 1.00 H new ATOM 0 HG2 ARG A 15 53.940 -2.409 9.482 1.00 1.00 H new ATOM 0 HG3 ARG A 15 55.253 -3.218 10.315 1.00 1.00 H new ATOM 0 HD2 ARG A 15 55.712 -1.312 11.704 1.00 1.00 H new ATOM 0 HD3 ARG A 15 54.837 -0.219 10.648 1.00 1.00 H new ATOM 0 HE ARG A 15 53.651 -1.877 12.775 1.00 1.00 H new ATOM 0 HH11 ARG A 15 53.212 -0.458 9.610 1.00 1.00 H new ATOM 0 HH12 ARG A 15 51.453 -0.367 9.758 1.00 1.00 H new ATOM 0 HH21 ARG A 15 51.402 -1.762 12.963 1.00 1.00 H new ATOM 0 HH22 ARG A 15 50.438 -1.099 11.640 1.00 1.00 H new ATOM 233 N VAL A 16 58.158 -0.006 11.155 1.00 1.00 N ATOM 234 CA VAL A 16 58.289 1.317 11.839 1.00 1.00 C ATOM 235 C VAL A 16 56.938 2.040 11.854 1.00 1.00 C ATOM 236 O VAL A 16 55.896 1.424 11.962 1.00 1.00 O ATOM 237 CB VAL A 16 59.335 2.176 11.114 1.00 1.00 C ATOM 238 CG1 VAL A 16 60.689 1.465 11.143 1.00 1.00 C ATOM 239 CG2 VAL A 16 58.902 2.386 9.661 1.00 1.00 C ATOM 0 H VAL A 16 58.731 -0.751 11.551 1.00 1.00 H new ATOM 0 HA VAL A 16 58.611 1.153 12.867 1.00 1.00 H new ATOM 0 HB VAL A 16 59.421 3.141 11.613 1.00 1.00 H new ATOM 0 HG11 VAL A 16 61.431 2.075 10.628 1.00 1.00 H new ATOM 0 HG12 VAL A 16 60.998 1.313 12.177 1.00 1.00 H new ATOM 0 HG13 VAL A 16 60.604 0.500 10.644 1.00 1.00 H new ATOM 0 HG21 VAL A 16 59.644 2.996 9.145 1.00 1.00 H new ATOM 0 HG22 VAL A 16 58.817 1.420 9.164 1.00 1.00 H new ATOM 0 HG23 VAL A 16 57.937 2.892 9.638 1.00 1.00 H new ATOM 249 N MET A 17 56.947 3.342 11.750 1.00 1.00 N ATOM 250 CA MET A 17 55.665 4.104 11.761 1.00 1.00 C ATOM 251 C MET A 17 55.779 5.297 10.808 1.00 1.00 C ATOM 252 O MET A 17 55.046 6.261 10.913 1.00 1.00 O ATOM 253 CB MET A 17 55.386 4.603 13.183 1.00 1.00 C ATOM 254 CG MET A 17 53.906 4.967 13.317 1.00 1.00 C ATOM 255 SD MET A 17 53.505 5.228 15.063 1.00 1.00 S ATOM 256 CE MET A 17 54.036 6.955 15.163 1.00 1.00 C ATOM 0 H MET A 17 57.788 3.911 11.658 1.00 1.00 H new ATOM 0 HA MET A 17 54.848 3.459 11.437 1.00 1.00 H new ATOM 0 HB2 MET A 17 55.649 3.832 13.908 1.00 1.00 H new ATOM 0 HB3 MET A 17 56.006 5.472 13.403 1.00 1.00 H new ATOM 0 HG2 MET A 17 53.689 5.869 12.744 1.00 1.00 H new ATOM 0 HG3 MET A 17 53.286 4.171 12.905 1.00 1.00 H new ATOM 0 HE1 MET A 17 53.875 7.327 16.175 1.00 1.00 H new ATOM 0 HE2 MET A 17 55.095 7.025 14.915 1.00 1.00 H new ATOM 0 HE3 MET A 17 53.458 7.555 14.460 1.00 1.00 H new ATOM 266 N GLY A 18 56.693 5.239 9.879 1.00 1.00 N ATOM 267 CA GLY A 18 56.855 6.367 8.920 1.00 1.00 C ATOM 268 C GLY A 18 58.115 6.146 8.081 1.00 1.00 C ATOM 269 O GLY A 18 58.477 5.028 7.771 1.00 1.00 O ATOM 0 H GLY A 18 57.335 4.458 9.743 1.00 1.00 H new ATOM 0 HA2 GLY A 18 55.981 6.436 8.272 1.00 1.00 H new ATOM 0 HA3 GLY A 18 56.926 7.311 9.461 1.00 1.00 H new ATOM 273 N GLY A 19 58.786 7.202 7.710 1.00 1.00 N ATOM 274 CA GLY A 19 60.023 7.050 6.891 1.00 1.00 C ATOM 275 C GLY A 19 60.297 8.351 6.134 1.00 1.00 C ATOM 276 O GLY A 19 60.183 8.411 4.926 1.00 1.00 O ATOM 0 H GLY A 19 58.532 8.163 7.938 1.00 1.00 H new ATOM 0 HA2 GLY A 19 60.869 6.805 7.533 1.00 1.00 H new ATOM 0 HA3 GLY A 19 59.907 6.225 6.188 1.00 1.00 H new ATOM 280 N PRO A 20 60.656 9.384 6.846 1.00 1.00 N ATOM 281 CA PRO A 20 60.955 10.715 6.243 1.00 1.00 C ATOM 282 C PRO A 20 61.880 10.605 5.026 1.00 1.00 C ATOM 283 O PRO A 20 63.063 10.359 5.155 1.00 1.00 O ATOM 284 CB PRO A 20 61.643 11.479 7.378 1.00 1.00 C ATOM 285 CG PRO A 20 61.124 10.862 8.634 1.00 1.00 C ATOM 286 CD PRO A 20 60.816 9.398 8.309 1.00 1.00 C ATOM 0 HA PRO A 20 60.055 11.206 5.872 1.00 1.00 H new ATOM 0 HB2 PRO A 20 62.727 11.388 7.313 1.00 1.00 H new ATOM 0 HB3 PRO A 20 61.409 12.543 7.336 1.00 1.00 H new ATOM 0 HG2 PRO A 20 61.861 10.934 9.434 1.00 1.00 H new ATOM 0 HG3 PRO A 20 60.228 11.379 8.978 1.00 1.00 H new ATOM 0 HD2 PRO A 20 61.624 8.740 8.628 1.00 1.00 H new ATOM 0 HD3 PRO A 20 59.911 9.059 8.813 1.00 1.00 H new ATOM 294 N CYS A 21 61.347 10.785 3.846 1.00 1.00 N ATOM 295 CA CYS A 21 62.190 10.691 2.619 1.00 1.00 C ATOM 296 C CYS A 21 61.821 11.826 1.661 1.00 1.00 C ATOM 297 O CYS A 21 60.878 11.729 0.902 1.00 1.00 O ATOM 298 CB CYS A 21 61.943 9.346 1.933 1.00 1.00 C ATOM 299 SG CYS A 21 62.746 8.029 2.881 1.00 1.00 S ATOM 0 H CYS A 21 60.363 10.993 3.679 1.00 1.00 H new ATOM 0 HA CYS A 21 63.242 10.772 2.893 1.00 1.00 H new ATOM 0 HB2 CYS A 21 60.873 9.155 1.859 1.00 1.00 H new ATOM 0 HB3 CYS A 21 62.334 9.367 0.916 1.00 1.00 H new ATOM 304 N THR A 22 62.563 12.902 1.692 1.00 1.00 N ATOM 305 CA THR A 22 62.268 14.051 0.787 1.00 1.00 C ATOM 306 C THR A 22 63.386 14.174 -0.257 1.00 1.00 C ATOM 307 O THR A 22 64.464 14.647 0.043 1.00 1.00 O ATOM 308 CB THR A 22 62.207 15.339 1.613 1.00 1.00 C ATOM 309 OG1 THR A 22 61.284 15.171 2.680 1.00 1.00 O ATOM 310 CG2 THR A 22 61.756 16.498 0.722 1.00 1.00 C ATOM 0 H THR A 22 63.365 13.034 2.309 1.00 1.00 H new ATOM 0 HA THR A 22 61.314 13.888 0.286 1.00 1.00 H new ATOM 0 HB THR A 22 63.195 15.559 2.018 1.00 1.00 H new ATOM 0 HG1 THR A 22 61.245 15.994 3.211 1.00 1.00 H new ATOM 0 HG21 THR A 22 61.713 17.414 1.311 1.00 1.00 H new ATOM 0 HG22 THR A 22 62.465 16.625 -0.096 1.00 1.00 H new ATOM 0 HG23 THR A 22 60.768 16.281 0.315 1.00 1.00 H new ATOM 318 N PRO A 23 63.141 13.750 -1.474 1.00 1.00 N ATOM 319 CA PRO A 23 64.159 13.818 -2.563 1.00 1.00 C ATOM 320 C PRO A 23 64.867 15.177 -2.611 1.00 1.00 C ATOM 321 O PRO A 23 64.510 16.050 -3.376 1.00 1.00 O ATOM 322 CB PRO A 23 63.339 13.582 -3.833 1.00 1.00 C ATOM 323 CG PRO A 23 62.181 12.751 -3.391 1.00 1.00 C ATOM 324 CD PRO A 23 61.877 13.159 -1.946 1.00 1.00 C ATOM 0 HA PRO A 23 64.959 13.091 -2.424 1.00 1.00 H new ATOM 0 HB2 PRO A 23 63.006 14.524 -4.270 1.00 1.00 H new ATOM 0 HB3 PRO A 23 63.927 13.068 -4.594 1.00 1.00 H new ATOM 0 HG2 PRO A 23 61.316 12.920 -4.032 1.00 1.00 H new ATOM 0 HG3 PRO A 23 62.420 11.689 -3.452 1.00 1.00 H new ATOM 0 HD2 PRO A 23 61.057 13.876 -1.897 1.00 1.00 H new ATOM 0 HD3 PRO A 23 61.586 12.300 -1.341 1.00 1.00 H new ATOM 332 N ARG A 24 65.870 15.359 -1.796 1.00 1.00 N ATOM 333 CA ARG A 24 66.603 16.656 -1.790 1.00 1.00 C ATOM 334 C ARG A 24 67.948 16.477 -1.084 1.00 1.00 C ATOM 335 O ARG A 24 68.991 16.461 -1.707 1.00 1.00 O ATOM 336 CB ARG A 24 65.773 17.707 -1.049 1.00 1.00 C ATOM 337 CG ARG A 24 66.439 19.077 -1.190 1.00 1.00 C ATOM 338 CD ARG A 24 65.487 20.163 -0.684 1.00 1.00 C ATOM 339 NE ARG A 24 64.241 20.151 -1.502 1.00 1.00 N ATOM 340 CZ ARG A 24 63.148 20.687 -1.032 1.00 1.00 C ATOM 341 NH1 ARG A 24 63.145 21.232 0.153 1.00 1.00 N ATOM 342 NH2 ARG A 24 62.057 20.677 -1.748 1.00 1.00 N ATOM 0 H ARG A 24 66.214 14.664 -1.133 1.00 1.00 H new ATOM 0 HA ARG A 24 66.772 16.984 -2.816 1.00 1.00 H new ATOM 0 HB2 ARG A 24 64.762 17.739 -1.455 1.00 1.00 H new ATOM 0 HB3 ARG A 24 65.686 17.440 0.004 1.00 1.00 H new ATOM 0 HG2 ARG A 24 67.369 19.101 -0.622 1.00 1.00 H new ATOM 0 HG3 ARG A 24 66.697 19.262 -2.233 1.00 1.00 H new ATOM 0 HD2 ARG A 24 65.248 19.992 0.365 1.00 1.00 H new ATOM 0 HD3 ARG A 24 65.966 21.140 -0.746 1.00 1.00 H new ATOM 0 HE ARG A 24 64.243 19.724 -2.428 1.00 1.00 H new ATOM 0 HH11 ARG A 24 63.997 21.239 0.713 1.00 1.00 H new ATOM 0 HH12 ARG A 24 62.290 21.651 0.520 1.00 1.00 H new ATOM 0 HH21 ARG A 24 62.059 20.250 -2.674 1.00 1.00 H new ATOM 0 HH22 ARG A 24 61.202 21.096 -1.381 1.00 1.00 H new ATOM 356 N LYS A 25 67.930 16.341 0.212 1.00 1.00 N ATOM 357 CA LYS A 25 69.205 16.161 0.963 1.00 1.00 C ATOM 358 C LYS A 25 70.140 17.335 0.668 1.00 1.00 C ATOM 359 O LYS A 25 69.940 18.080 -0.271 1.00 1.00 O ATOM 360 CB LYS A 25 69.877 14.853 0.532 1.00 1.00 C ATOM 361 CG LYS A 25 68.838 13.731 0.493 1.00 1.00 C ATOM 362 CD LYS A 25 68.333 13.452 1.910 1.00 1.00 C ATOM 363 CE LYS A 25 66.918 14.013 2.068 1.00 1.00 C ATOM 364 NZ LYS A 25 66.380 13.634 3.405 1.00 1.00 N ATOM 0 H LYS A 25 67.086 16.347 0.785 1.00 1.00 H new ATOM 0 HA LYS A 25 68.993 16.123 2.031 1.00 1.00 H new ATOM 0 HB2 LYS A 25 70.334 14.974 -0.450 1.00 1.00 H new ATOM 0 HB3 LYS A 25 70.677 14.597 1.227 1.00 1.00 H new ATOM 0 HG2 LYS A 25 68.006 14.014 -0.152 1.00 1.00 H new ATOM 0 HG3 LYS A 25 69.278 12.829 0.068 1.00 1.00 H new ATOM 0 HD2 LYS A 25 68.334 12.379 2.103 1.00 1.00 H new ATOM 0 HD3 LYS A 25 69.000 13.908 2.642 1.00 1.00 H new ATOM 0 HE2 LYS A 25 66.932 15.098 1.964 1.00 1.00 H new ATOM 0 HE3 LYS A 25 66.272 13.625 1.281 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 65.418 14.015 3.513 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 66.353 12.598 3.487 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 66.993 14.025 4.149 1.00 1.00 H new ATOM 378 N GLY A 26 71.163 17.507 1.462 1.00 1.00 N ATOM 379 CA GLY A 26 72.111 18.633 1.225 1.00 1.00 C ATOM 380 C GLY A 26 73.212 18.182 0.263 1.00 1.00 C ATOM 381 O GLY A 26 73.286 17.027 -0.107 1.00 1.00 O ATOM 0 H GLY A 26 71.383 16.916 2.264 1.00 1.00 H new ATOM 0 HA2 GLY A 26 71.579 19.489 0.809 1.00 1.00 H new ATOM 0 HA3 GLY A 26 72.549 18.958 2.169 1.00 1.00 H new ATOM 385 N PRO A 27 74.063 19.090 -0.139 1.00 1.00 N ATOM 386 CA PRO A 27 75.184 18.785 -1.076 1.00 1.00 C ATOM 387 C PRO A 27 75.970 17.537 -0.649 1.00 1.00 C ATOM 388 O PRO A 27 75.935 17.141 0.498 1.00 1.00 O ATOM 389 CB PRO A 27 76.071 20.031 -0.997 1.00 1.00 C ATOM 390 CG PRO A 27 75.159 21.139 -0.586 1.00 1.00 C ATOM 391 CD PRO A 27 74.048 20.508 0.256 1.00 1.00 C ATOM 0 HA PRO A 27 74.826 18.569 -2.083 1.00 1.00 H new ATOM 0 HB2 PRO A 27 76.876 19.896 -0.274 1.00 1.00 H new ATOM 0 HB3 PRO A 27 76.538 20.243 -1.959 1.00 1.00 H new ATOM 0 HG2 PRO A 27 75.699 21.891 -0.012 1.00 1.00 H new ATOM 0 HG3 PRO A 27 74.744 21.642 -1.459 1.00 1.00 H new ATOM 0 HD2 PRO A 27 74.239 20.627 1.323 1.00 1.00 H new ATOM 0 HD3 PRO A 27 73.082 20.969 0.052 1.00 1.00 H new ATOM 399 N PRO A 28 76.680 16.926 -1.565 1.00 1.00 N ATOM 400 CA PRO A 28 77.491 15.709 -1.273 1.00 1.00 C ATOM 401 C PRO A 28 78.261 15.827 0.048 1.00 1.00 C ATOM 402 O PRO A 28 78.510 16.911 0.537 1.00 1.00 O ATOM 403 CB PRO A 28 78.460 15.637 -2.455 1.00 1.00 C ATOM 404 CG PRO A 28 77.741 16.293 -3.588 1.00 1.00 C ATOM 405 CD PRO A 28 76.790 17.327 -2.977 1.00 1.00 C ATOM 0 HA PRO A 28 76.870 14.820 -1.161 1.00 1.00 H new ATOM 0 HB2 PRO A 28 79.394 16.151 -2.231 1.00 1.00 H new ATOM 0 HB3 PRO A 28 78.714 14.604 -2.694 1.00 1.00 H new ATOM 0 HG2 PRO A 28 78.447 16.772 -4.267 1.00 1.00 H new ATOM 0 HG3 PRO A 28 77.187 15.557 -4.171 1.00 1.00 H new ATOM 0 HD2 PRO A 28 77.185 18.338 -3.074 1.00 1.00 H new ATOM 0 HD3 PRO A 28 75.819 17.316 -3.471 1.00 1.00 H new ATOM 413 N LYS A 29 78.642 14.719 0.626 1.00 1.00 N ATOM 414 CA LYS A 29 79.397 14.768 1.912 1.00 1.00 C ATOM 415 C LYS A 29 80.296 13.535 2.023 1.00 1.00 C ATOM 416 O LYS A 29 79.900 12.511 2.542 1.00 1.00 O ATOM 417 CB LYS A 29 78.412 14.788 3.085 1.00 1.00 C ATOM 418 CG LYS A 29 77.752 16.165 3.176 1.00 1.00 C ATOM 419 CD LYS A 29 76.917 16.248 4.456 1.00 1.00 C ATOM 420 CE LYS A 29 77.840 16.171 5.674 1.00 1.00 C ATOM 421 NZ LYS A 29 77.832 14.783 6.217 1.00 1.00 N ATOM 0 HA LYS A 29 80.010 15.669 1.938 1.00 1.00 H new ATOM 0 HB2 LYS A 29 77.653 14.018 2.949 1.00 1.00 H new ATOM 0 HB3 LYS A 29 78.933 14.561 4.015 1.00 1.00 H new ATOM 0 HG2 LYS A 29 78.513 16.945 3.174 1.00 1.00 H new ATOM 0 HG3 LYS A 29 77.119 16.335 2.305 1.00 1.00 H new ATOM 0 HD2 LYS A 29 76.351 17.179 4.474 1.00 1.00 H new ATOM 0 HD3 LYS A 29 76.192 15.434 4.484 1.00 1.00 H new ATOM 0 HE2 LYS A 29 78.854 16.457 5.394 1.00 1.00 H new ATOM 0 HE3 LYS A 29 77.510 16.874 6.439 1.00 1.00 H new ATOM 0 HZ1 LYS A 29 77.199 14.736 7.041 1.00 1.00 H new ATOM 0 HZ2 LYS A 29 77.496 14.126 5.484 1.00 1.00 H new ATOM 0 HZ3 LYS A 29 78.795 14.517 6.505 1.00 1.00 H new ATOM 435 N CYS A 30 81.506 13.626 1.542 1.00 1.00 N ATOM 436 CA CYS A 30 82.430 12.459 1.622 1.00 1.00 C ATOM 437 C CYS A 30 82.549 12.004 3.078 1.00 1.00 C ATOM 438 O CYS A 30 82.532 12.806 3.991 1.00 1.00 O ATOM 439 CB CYS A 30 83.810 12.864 1.100 1.00 1.00 C ATOM 440 SG CYS A 30 84.284 14.455 1.821 1.00 1.00 S ATOM 0 HA CYS A 30 82.038 11.642 1.016 1.00 1.00 H new ATOM 0 HB2 CYS A 30 84.546 12.102 1.357 1.00 1.00 H new ATOM 0 HB3 CYS A 30 83.793 12.936 0.013 1.00 1.00 H new ATOM 445 N LYS A 31 82.665 10.720 3.302 1.00 1.00 N ATOM 446 CA LYS A 31 82.782 10.205 4.699 1.00 1.00 C ATOM 447 C LYS A 31 84.115 9.468 4.862 1.00 1.00 C ATOM 448 O LYS A 31 85.099 9.798 4.229 1.00 1.00 O ATOM 449 CB LYS A 31 81.619 9.242 4.982 1.00 1.00 C ATOM 450 CG LYS A 31 81.179 9.383 6.441 1.00 1.00 C ATOM 451 CD LYS A 31 80.187 10.540 6.566 1.00 1.00 C ATOM 452 CE LYS A 31 80.040 10.931 8.037 1.00 1.00 C ATOM 453 NZ LYS A 31 79.994 9.700 8.876 1.00 1.00 N ATOM 0 H LYS A 31 82.684 10.004 2.575 1.00 1.00 H new ATOM 0 HA LYS A 31 82.744 11.037 5.402 1.00 1.00 H new ATOM 0 HB2 LYS A 31 80.783 9.460 4.317 1.00 1.00 H new ATOM 0 HB3 LYS A 31 81.927 8.216 4.782 1.00 1.00 H new ATOM 0 HG2 LYS A 31 80.718 8.457 6.784 1.00 1.00 H new ATOM 0 HG3 LYS A 31 82.046 9.563 7.077 1.00 1.00 H new ATOM 0 HD2 LYS A 31 80.534 11.394 5.985 1.00 1.00 H new ATOM 0 HD3 LYS A 31 79.219 10.249 6.158 1.00 1.00 H new ATOM 0 HE2 LYS A 31 80.876 11.561 8.342 1.00 1.00 H new ATOM 0 HE3 LYS A 31 79.131 11.516 8.180 1.00 1.00 H new ATOM 0 HZ1 LYS A 31 79.677 9.946 9.836 1.00 1.00 H new ATOM 0 HZ2 LYS A 31 79.331 9.018 8.456 1.00 1.00 H new ATOM 0 HZ3 LYS A 31 80.943 9.276 8.923 1.00 1.00 H new ATOM 467 N GLN A 32 84.156 8.474 5.708 1.00 1.00 N ATOM 468 CA GLN A 32 85.425 7.719 5.914 1.00 1.00 C ATOM 469 C GLN A 32 85.590 6.677 4.804 1.00 1.00 C ATOM 470 O GLN A 32 86.267 5.681 4.970 1.00 1.00 O ATOM 471 CB GLN A 32 85.389 7.023 7.281 1.00 1.00 C ATOM 472 CG GLN A 32 84.444 5.821 7.223 1.00 1.00 C ATOM 473 CD GLN A 32 83.137 6.231 6.541 1.00 1.00 C ATOM 474 OE1 GLN A 32 83.058 6.275 5.330 1.00 1.00 O ATOM 475 NE2 GLN A 32 82.101 6.535 7.274 1.00 1.00 N ATOM 0 H GLN A 32 83.365 8.152 6.266 1.00 1.00 H new ATOM 0 HA GLN A 32 86.268 8.409 5.883 1.00 1.00 H new ATOM 0 HB2 GLN A 32 86.391 6.697 7.560 1.00 1.00 H new ATOM 0 HB3 GLN A 32 85.056 7.723 8.048 1.00 1.00 H new ATOM 0 HG2 GLN A 32 84.912 5.003 6.674 1.00 1.00 H new ATOM 0 HG3 GLN A 32 84.242 5.455 8.230 1.00 1.00 H new ATOM 0 HE21 GLN A 32 82.167 6.498 8.291 1.00 1.00 H new ATOM 0 HE22 GLN A 32 81.225 6.810 6.830 1.00 1.00 H new ATOM 484 N ARG A 33 84.979 6.900 3.671 1.00 1.00 N ATOM 485 CA ARG A 33 85.100 5.924 2.549 1.00 1.00 C ATOM 486 C ARG A 33 86.558 5.478 2.406 1.00 1.00 C ATOM 487 O ARG A 33 87.476 6.216 2.703 1.00 1.00 O ATOM 488 CB ARG A 33 84.642 6.588 1.247 1.00 1.00 C ATOM 489 CG ARG A 33 85.243 7.991 1.149 1.00 1.00 C ATOM 490 CD ARG A 33 85.233 8.451 -0.310 1.00 1.00 C ATOM 491 NE ARG A 33 86.291 7.725 -1.067 1.00 1.00 N ATOM 492 CZ ARG A 33 86.761 8.228 -2.176 1.00 1.00 C ATOM 493 NH1 ARG A 33 86.305 9.366 -2.621 1.00 1.00 N ATOM 494 NH2 ARG A 33 87.688 7.592 -2.839 1.00 1.00 N ATOM 0 H ARG A 33 84.401 7.717 3.474 1.00 1.00 H new ATOM 0 HA ARG A 33 84.476 5.055 2.758 1.00 1.00 H new ATOM 0 HB2 ARG A 33 84.952 5.988 0.392 1.00 1.00 H new ATOM 0 HB3 ARG A 33 83.554 6.645 1.219 1.00 1.00 H new ATOM 0 HG2 ARG A 33 84.672 8.686 1.764 1.00 1.00 H new ATOM 0 HG3 ARG A 33 86.263 7.989 1.533 1.00 1.00 H new ATOM 0 HD2 ARG A 33 84.257 8.261 -0.756 1.00 1.00 H new ATOM 0 HD3 ARG A 33 85.404 9.526 -0.365 1.00 1.00 H new ATOM 0 HE ARG A 33 86.648 6.835 -0.719 1.00 1.00 H new ATOM 0 HH11 ARG A 33 85.581 9.863 -2.102 1.00 1.00 H new ATOM 0 HH12 ARG A 33 86.672 9.759 -3.488 1.00 1.00 H new ATOM 0 HH21 ARG A 33 88.045 6.702 -2.490 1.00 1.00 H new ATOM 0 HH22 ARG A 33 88.056 7.985 -3.706 1.00 1.00 H new ATOM 508 N GLN A 34 86.777 4.271 1.956 1.00 1.00 N ATOM 509 CA GLN A 34 88.173 3.773 1.796 1.00 1.00 C ATOM 510 C GLN A 34 88.660 4.058 0.373 1.00 1.00 C ATOM 511 O GLN A 34 88.898 5.190 0.002 1.00 1.00 O ATOM 512 CB GLN A 34 88.208 2.265 2.052 1.00 1.00 C ATOM 513 CG GLN A 34 87.679 1.973 3.458 1.00 1.00 C ATOM 514 CD GLN A 34 87.672 0.462 3.697 1.00 1.00 C ATOM 515 OE1 GLN A 34 86.866 -0.250 3.133 1.00 1.00 O ATOM 516 NE2 GLN A 34 88.542 -0.060 4.517 1.00 1.00 N ATOM 0 H GLN A 34 86.048 3.608 1.692 1.00 1.00 H new ATOM 0 HA GLN A 34 88.822 4.280 2.510 1.00 1.00 H new ATOM 0 HB2 GLN A 34 87.603 1.745 1.309 1.00 1.00 H new ATOM 0 HB3 GLN A 34 89.227 1.892 1.951 1.00 1.00 H new ATOM 0 HG2 GLN A 34 88.303 2.467 4.203 1.00 1.00 H new ATOM 0 HG3 GLN A 34 86.672 2.374 3.570 1.00 1.00 H new ATOM 0 HE21 GLN A 34 89.219 0.538 4.991 1.00 1.00 H new ATOM 0 HE22 GLN A 34 88.545 -1.066 4.684 1.00 1.00 H new ATOM 525 N THR A 35 88.813 3.037 -0.427 1.00 1.00 N ATOM 526 CA THR A 35 89.288 3.246 -1.824 1.00 1.00 C ATOM 527 C THR A 35 88.143 3.791 -2.680 1.00 1.00 C ATOM 528 O THR A 35 88.001 4.984 -2.857 1.00 1.00 O ATOM 529 CB THR A 35 89.767 1.913 -2.403 1.00 1.00 C ATOM 530 OG1 THR A 35 88.696 0.980 -2.386 1.00 1.00 O ATOM 531 CG2 THR A 35 90.927 1.377 -1.563 1.00 1.00 C ATOM 0 H THR A 35 88.629 2.067 -0.172 1.00 1.00 H new ATOM 0 HA THR A 35 90.111 3.961 -1.824 1.00 1.00 H new ATOM 0 HB THR A 35 90.104 2.062 -3.429 1.00 1.00 H new ATOM 0 HG1 THR A 35 88.629 0.543 -3.261 1.00 1.00 H new ATOM 0 HG21 THR A 35 91.267 0.428 -1.976 1.00 1.00 H new ATOM 0 HG22 THR A 35 91.748 2.094 -1.577 1.00 1.00 H new ATOM 0 HG23 THR A 35 90.594 1.227 -0.536 1.00 1.00 H new ATOM 539 N ARG A 36 87.326 2.922 -3.216 1.00 1.00 N ATOM 540 CA ARG A 36 86.188 3.382 -4.067 1.00 1.00 C ATOM 541 C ARG A 36 84.923 2.615 -3.681 1.00 1.00 C ATOM 542 O ARG A 36 83.826 3.136 -3.737 1.00 1.00 O ATOM 543 CB ARG A 36 86.515 3.114 -5.540 1.00 1.00 C ATOM 544 CG ARG A 36 87.599 4.084 -6.013 1.00 1.00 C ATOM 545 CD ARG A 36 86.973 5.151 -6.913 1.00 1.00 C ATOM 546 NE ARG A 36 85.699 5.629 -6.304 1.00 1.00 N ATOM 547 CZ ARG A 36 84.883 6.374 -6.998 1.00 1.00 C ATOM 548 NH1 ARG A 36 85.182 6.701 -8.225 1.00 1.00 N ATOM 549 NH2 ARG A 36 83.768 6.793 -6.464 1.00 1.00 N ATOM 0 H ARG A 36 87.398 1.911 -3.101 1.00 1.00 H new ATOM 0 HA ARG A 36 86.028 4.450 -3.916 1.00 1.00 H new ATOM 0 HB2 ARG A 36 86.854 2.086 -5.666 1.00 1.00 H new ATOM 0 HB3 ARG A 36 85.618 3.231 -6.149 1.00 1.00 H new ATOM 0 HG2 ARG A 36 88.081 4.554 -5.155 1.00 1.00 H new ATOM 0 HG3 ARG A 36 88.373 3.543 -6.557 1.00 1.00 H new ATOM 0 HD2 ARG A 36 87.663 5.985 -7.041 1.00 1.00 H new ATOM 0 HD3 ARG A 36 86.783 4.740 -7.905 1.00 1.00 H new ATOM 0 HE ARG A 36 85.465 5.374 -5.345 1.00 1.00 H new ATOM 0 HH11 ARG A 36 86.054 6.374 -8.642 1.00 1.00 H new ATOM 0 HH12 ARG A 36 84.544 7.283 -8.767 1.00 1.00 H new ATOM 0 HH21 ARG A 36 83.535 6.538 -5.504 1.00 1.00 H new ATOM 0 HH22 ARG A 36 83.130 7.375 -7.006 1.00 1.00 H new ATOM 563 N GLN A 37 85.067 1.379 -3.291 1.00 1.00 N ATOM 564 CA GLN A 37 83.875 0.574 -2.901 1.00 1.00 C ATOM 565 C GLN A 37 84.334 -0.754 -2.295 1.00 1.00 C ATOM 566 O GLN A 37 83.853 -1.810 -2.654 1.00 1.00 O ATOM 567 CB GLN A 37 83.017 0.300 -4.139 1.00 1.00 C ATOM 568 CG GLN A 37 81.624 -0.159 -3.704 1.00 1.00 C ATOM 569 CD GLN A 37 80.902 -0.797 -4.892 1.00 1.00 C ATOM 570 OE1 GLN A 37 80.384 -0.031 -5.813 1.00 1.00 O flip ATOM 571 NE2 GLN A 37 80.808 -2.005 -4.984 1.00 1.00 N flip ATOM 0 H GLN A 37 85.960 0.891 -3.225 1.00 1.00 H new ATOM 0 HA GLN A 37 83.288 1.126 -2.167 1.00 1.00 H new ATOM 0 HB2 GLN A 37 82.941 1.201 -4.748 1.00 1.00 H new ATOM 0 HB3 GLN A 37 83.487 -0.465 -4.758 1.00 1.00 H new ATOM 0 HG2 GLN A 37 81.705 -0.875 -2.887 1.00 1.00 H new ATOM 0 HG3 GLN A 37 81.051 0.689 -3.329 1.00 1.00 H new ATOM 0 HE21 GLN A 37 81.213 -2.604 -4.265 1.00 1.00 H new ATOM 0 HE22 GLN A 37 80.325 -2.420 -5.781 1.00 1.00 H new ATOM 580 N CYS A 38 85.263 -0.710 -1.379 1.00 1.00 N ATOM 581 CA CYS A 38 85.752 -1.971 -0.754 1.00 1.00 C ATOM 582 C CYS A 38 86.083 -2.987 -1.850 1.00 1.00 C ATOM 583 O CYS A 38 86.244 -4.163 -1.591 1.00 1.00 O ATOM 584 CB CYS A 38 84.665 -2.542 0.159 1.00 1.00 C ATOM 585 SG CYS A 38 84.508 -1.505 1.634 1.00 1.00 S ATOM 0 H CYS A 38 85.704 0.144 -1.037 1.00 1.00 H new ATOM 0 HA CYS A 38 86.647 -1.764 -0.168 1.00 1.00 H new ATOM 0 HB2 CYS A 38 83.714 -2.583 -0.372 1.00 1.00 H new ATOM 0 HB3 CYS A 38 84.915 -3.564 0.445 1.00 1.00 H new ATOM 590 N LYS A 39 86.184 -2.542 -3.073 1.00 1.00 N ATOM 591 CA LYS A 39 86.503 -3.481 -4.186 1.00 1.00 C ATOM 592 C LYS A 39 88.020 -3.642 -4.301 1.00 1.00 C ATOM 593 O LYS A 39 88.758 -2.677 -4.316 1.00 1.00 O ATOM 594 CB LYS A 39 85.942 -2.928 -5.500 1.00 1.00 C ATOM 595 CG LYS A 39 86.754 -1.704 -5.928 1.00 1.00 C ATOM 596 CD LYS A 39 85.988 -0.933 -7.005 1.00 1.00 C ATOM 597 CE LYS A 39 86.961 -0.061 -7.800 1.00 1.00 C ATOM 598 NZ LYS A 39 88.037 0.434 -6.895 1.00 1.00 N ATOM 0 H LYS A 39 86.059 -1.568 -3.350 1.00 1.00 H new ATOM 0 HA LYS A 39 86.052 -4.452 -3.982 1.00 1.00 H new ATOM 0 HB2 LYS A 39 85.982 -3.693 -6.275 1.00 1.00 H new ATOM 0 HB3 LYS A 39 84.894 -2.656 -5.374 1.00 1.00 H new ATOM 0 HG2 LYS A 39 86.941 -1.060 -5.069 1.00 1.00 H new ATOM 0 HG3 LYS A 39 87.726 -2.015 -6.311 1.00 1.00 H new ATOM 0 HD2 LYS A 39 85.479 -1.629 -7.672 1.00 1.00 H new ATOM 0 HD3 LYS A 39 85.219 -0.312 -6.545 1.00 1.00 H new ATOM 0 HE2 LYS A 39 87.395 -0.635 -8.619 1.00 1.00 H new ATOM 0 HE3 LYS A 39 86.431 0.780 -8.246 1.00 1.00 H new ATOM 0 HZ1 LYS A 39 88.374 1.359 -7.230 1.00 1.00 H new ATOM 0 HZ2 LYS A 39 87.662 0.531 -5.930 1.00 1.00 H new ATOM 0 HZ3 LYS A 39 88.827 -0.242 -6.893 1.00 1.00 H new ATOM 612 N SER A 40 88.490 -4.856 -4.382 1.00 1.00 N ATOM 613 CA SER A 40 89.958 -5.083 -4.496 1.00 1.00 C ATOM 614 C SER A 40 90.247 -6.583 -4.411 1.00 1.00 C ATOM 615 O SER A 40 90.253 -7.281 -5.405 1.00 1.00 O ATOM 616 CB SER A 40 90.677 -4.359 -3.356 1.00 1.00 C ATOM 617 OG SER A 40 91.877 -5.052 -3.042 1.00 1.00 O ATOM 0 H SER A 40 87.920 -5.702 -4.374 1.00 1.00 H new ATOM 0 HA SER A 40 90.314 -4.697 -5.451 1.00 1.00 H new ATOM 0 HB2 SER A 40 90.902 -3.333 -3.646 1.00 1.00 H new ATOM 0 HB3 SER A 40 90.033 -4.308 -2.478 1.00 1.00 H new ATOM 0 HG SER A 40 92.341 -4.589 -2.313 1.00 1.00 H new ATOM 623 N LYS A 41 90.484 -7.084 -3.229 1.00 1.00 N ATOM 624 CA LYS A 41 90.769 -8.539 -3.077 1.00 1.00 C ATOM 625 C LYS A 41 89.449 -9.288 -2.855 1.00 1.00 C ATOM 626 O LYS A 41 88.478 -8.719 -2.399 1.00 1.00 O ATOM 627 CB LYS A 41 91.697 -8.750 -1.872 1.00 1.00 C ATOM 628 CG LYS A 41 93.153 -8.761 -2.343 1.00 1.00 C ATOM 629 CD LYS A 41 93.512 -7.393 -2.925 1.00 1.00 C ATOM 630 CE LYS A 41 94.940 -7.429 -3.473 1.00 1.00 C ATOM 631 NZ LYS A 41 95.899 -7.617 -2.348 1.00 1.00 N ATOM 0 H LYS A 41 90.493 -6.548 -2.361 1.00 1.00 H new ATOM 0 HA LYS A 41 91.255 -8.920 -3.975 1.00 1.00 H new ATOM 0 HB2 LYS A 41 91.547 -7.956 -1.141 1.00 1.00 H new ATOM 0 HB3 LYS A 41 91.457 -9.690 -1.376 1.00 1.00 H new ATOM 0 HG2 LYS A 41 93.814 -8.998 -1.509 1.00 1.00 H new ATOM 0 HG3 LYS A 41 93.297 -9.537 -3.095 1.00 1.00 H new ATOM 0 HD2 LYS A 41 92.813 -7.129 -3.719 1.00 1.00 H new ATOM 0 HD3 LYS A 41 93.426 -6.625 -2.156 1.00 1.00 H new ATOM 0 HE2 LYS A 41 95.044 -8.240 -4.193 1.00 1.00 H new ATOM 0 HE3 LYS A 41 95.161 -6.502 -4.003 1.00 1.00 H new ATOM 0 HZ1 LYS A 41 96.859 -7.374 -2.666 1.00 1.00 H new ATOM 0 HZ2 LYS A 41 95.630 -6.999 -1.556 1.00 1.00 H new ATOM 0 HZ3 LYS A 41 95.878 -8.609 -2.036 1.00 1.00 H new ATOM 645 N PRO A 42 89.416 -10.555 -3.178 1.00 1.00 N ATOM 646 CA PRO A 42 88.192 -11.395 -3.013 1.00 1.00 C ATOM 647 C PRO A 42 87.743 -11.479 -1.548 1.00 1.00 C ATOM 648 O PRO A 42 88.493 -11.167 -0.644 1.00 1.00 O ATOM 649 CB PRO A 42 88.612 -12.779 -3.534 1.00 1.00 C ATOM 650 CG PRO A 42 90.105 -12.778 -3.531 1.00 1.00 C ATOM 651 CD PRO A 42 90.540 -11.326 -3.730 1.00 1.00 C ATOM 0 HA PRO A 42 87.341 -10.977 -3.551 1.00 1.00 H new ATOM 0 HB2 PRO A 42 88.220 -13.572 -2.897 1.00 1.00 H new ATOM 0 HB3 PRO A 42 88.223 -12.954 -4.537 1.00 1.00 H new ATOM 0 HG2 PRO A 42 90.491 -13.173 -2.591 1.00 1.00 H new ATOM 0 HG3 PRO A 42 90.495 -13.412 -4.327 1.00 1.00 H new ATOM 0 HD2 PRO A 42 91.471 -11.110 -3.206 1.00 1.00 H new ATOM 0 HD3 PRO A 42 90.706 -11.097 -4.783 1.00 1.00 H new ATOM 659 N PRO A 43 86.526 -11.898 -1.319 1.00 1.00 N ATOM 660 CA PRO A 43 85.961 -12.027 0.053 1.00 1.00 C ATOM 661 C PRO A 43 86.974 -12.599 1.050 1.00 1.00 C ATOM 662 O PRO A 43 87.708 -13.519 0.746 1.00 1.00 O ATOM 663 CB PRO A 43 84.790 -12.990 -0.139 1.00 1.00 C ATOM 664 CG PRO A 43 84.333 -12.772 -1.544 1.00 1.00 C ATOM 665 CD PRO A 43 85.550 -12.299 -2.346 1.00 1.00 C ATOM 0 HA PRO A 43 85.672 -11.062 0.470 1.00 1.00 H new ATOM 0 HB2 PRO A 43 85.099 -14.023 0.019 1.00 1.00 H new ATOM 0 HB3 PRO A 43 83.990 -12.784 0.572 1.00 1.00 H new ATOM 0 HG2 PRO A 43 83.929 -13.693 -1.965 1.00 1.00 H new ATOM 0 HG3 PRO A 43 83.536 -12.029 -1.579 1.00 1.00 H new ATOM 0 HD2 PRO A 43 85.943 -13.094 -2.980 1.00 1.00 H new ATOM 0 HD3 PRO A 43 85.296 -11.466 -3.001 1.00 1.00 H new ATOM 673 N LYS A 44 87.017 -12.060 2.240 1.00 1.00 N ATOM 674 CA LYS A 44 87.977 -12.569 3.262 1.00 1.00 C ATOM 675 C LYS A 44 87.245 -13.505 4.227 1.00 1.00 C ATOM 676 O LYS A 44 86.903 -14.620 3.885 1.00 1.00 O ATOM 677 CB LYS A 44 88.560 -11.387 4.043 1.00 1.00 C ATOM 678 CG LYS A 44 87.454 -10.371 4.336 1.00 1.00 C ATOM 679 CD LYS A 44 87.848 -9.521 5.546 1.00 1.00 C ATOM 680 CE LYS A 44 86.959 -8.278 5.608 1.00 1.00 C ATOM 681 NZ LYS A 44 86.982 -7.720 6.990 1.00 1.00 N ATOM 0 H LYS A 44 86.427 -11.287 2.548 1.00 1.00 H new ATOM 0 HA LYS A 44 88.782 -13.113 2.768 1.00 1.00 H new ATOM 0 HB2 LYS A 44 89.003 -11.737 4.976 1.00 1.00 H new ATOM 0 HB3 LYS A 44 89.358 -10.916 3.468 1.00 1.00 H new ATOM 0 HG2 LYS A 44 87.293 -9.733 3.467 1.00 1.00 H new ATOM 0 HG3 LYS A 44 86.514 -10.887 4.532 1.00 1.00 H new ATOM 0 HD2 LYS A 44 87.743 -10.102 6.462 1.00 1.00 H new ATOM 0 HD3 LYS A 44 88.895 -9.229 5.473 1.00 1.00 H new ATOM 0 HE2 LYS A 44 87.310 -7.531 4.897 1.00 1.00 H new ATOM 0 HE3 LYS A 44 85.938 -8.533 5.324 1.00 1.00 H new ATOM 0 HZ1 LYS A 44 86.378 -6.875 7.033 1.00 1.00 H new ATOM 0 HZ2 LYS A 44 86.627 -8.434 7.658 1.00 1.00 H new ATOM 0 HZ3 LYS A 44 87.957 -7.462 7.244 1.00 1.00 H new ATOM 695 N LYS A 45 87.002 -13.061 5.430 1.00 1.00 N ATOM 696 CA LYS A 45 86.292 -13.923 6.415 1.00 1.00 C ATOM 697 C LYS A 45 85.759 -13.057 7.559 1.00 1.00 C ATOM 698 O LYS A 45 85.797 -13.442 8.711 1.00 1.00 O ATOM 699 CB LYS A 45 87.263 -14.965 6.974 1.00 1.00 C ATOM 700 CG LYS A 45 88.438 -14.256 7.650 1.00 1.00 C ATOM 701 CD LYS A 45 89.569 -15.258 7.892 1.00 1.00 C ATOM 702 CE LYS A 45 90.674 -14.593 8.715 1.00 1.00 C ATOM 703 NZ LYS A 45 91.196 -13.407 7.978 1.00 1.00 N ATOM 0 H LYS A 45 87.265 -12.137 5.773 1.00 1.00 H new ATOM 0 HA LYS A 45 85.461 -14.428 5.923 1.00 1.00 H new ATOM 0 HB2 LYS A 45 86.751 -15.607 7.691 1.00 1.00 H new ATOM 0 HB3 LYS A 45 87.625 -15.608 6.172 1.00 1.00 H new ATOM 0 HG2 LYS A 45 88.791 -13.437 7.023 1.00 1.00 H new ATOM 0 HG3 LYS A 45 88.117 -13.818 8.595 1.00 1.00 H new ATOM 0 HD2 LYS A 45 89.187 -16.134 8.417 1.00 1.00 H new ATOM 0 HD3 LYS A 45 89.970 -15.607 6.940 1.00 1.00 H new ATOM 0 HE2 LYS A 45 90.285 -14.289 9.687 1.00 1.00 H new ATOM 0 HE3 LYS A 45 91.480 -15.302 8.902 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 92.107 -13.117 8.387 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 91.329 -13.652 6.976 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 90.517 -12.623 8.056 1.00 1.00 H new ATOM 717 N GLY A 46 85.263 -11.890 7.251 1.00 1.00 N ATOM 718 CA GLY A 46 84.729 -11.000 8.320 1.00 1.00 C ATOM 719 C GLY A 46 83.304 -11.425 8.678 1.00 1.00 C ATOM 720 O GLY A 46 83.000 -12.598 8.767 1.00 1.00 O ATOM 0 H GLY A 46 85.205 -11.514 6.305 1.00 1.00 H new ATOM 0 HA2 GLY A 46 85.367 -11.051 9.202 1.00 1.00 H new ATOM 0 HA3 GLY A 46 84.736 -9.964 7.982 1.00 1.00 H new ATOM 724 N VAL A 47 82.427 -10.481 8.884 1.00 1.00 N ATOM 725 CA VAL A 47 81.023 -10.832 9.236 1.00 1.00 C ATOM 726 C VAL A 47 80.327 -11.441 8.018 1.00 1.00 C ATOM 727 O VAL A 47 79.278 -12.045 8.128 1.00 1.00 O ATOM 728 CB VAL A 47 80.277 -9.570 9.672 1.00 1.00 C ATOM 729 CG1 VAL A 47 80.793 -9.118 11.039 1.00 1.00 C ATOM 730 CG2 VAL A 47 80.514 -8.459 8.646 1.00 1.00 C ATOM 0 H VAL A 47 82.623 -9.482 8.824 1.00 1.00 H new ATOM 0 HA VAL A 47 81.023 -11.555 10.052 1.00 1.00 H new ATOM 0 HB VAL A 47 79.210 -9.784 9.739 1.00 1.00 H new ATOM 0 HG11 VAL A 47 80.261 -8.219 11.349 1.00 1.00 H new ATOM 0 HG12 VAL A 47 80.626 -9.909 11.770 1.00 1.00 H new ATOM 0 HG13 VAL A 47 81.860 -8.904 10.973 1.00 1.00 H new ATOM 0 HG21 VAL A 47 79.983 -7.559 8.955 1.00 1.00 H new ATOM 0 HG22 VAL A 47 81.581 -8.246 8.580 1.00 1.00 H new ATOM 0 HG23 VAL A 47 80.147 -8.780 7.671 1.00 1.00 H new ATOM 740 N GLN A 48 80.900 -11.289 6.856 1.00 1.00 N ATOM 741 CA GLN A 48 80.269 -11.862 5.633 1.00 1.00 C ATOM 742 C GLN A 48 81.271 -11.828 4.477 1.00 1.00 C ATOM 743 O GLN A 48 81.758 -12.849 4.035 1.00 1.00 O ATOM 744 CB GLN A 48 79.035 -11.037 5.262 1.00 1.00 C ATOM 745 CG GLN A 48 78.440 -11.567 3.956 1.00 1.00 C ATOM 746 CD GLN A 48 77.059 -10.947 3.734 1.00 1.00 C ATOM 747 OE1 GLN A 48 76.121 -11.256 4.442 1.00 1.00 O ATOM 748 NE2 GLN A 48 76.894 -10.079 2.774 1.00 1.00 N ATOM 0 H GLN A 48 81.778 -10.793 6.700 1.00 1.00 H new ATOM 0 HA GLN A 48 79.973 -12.893 5.827 1.00 1.00 H new ATOM 0 HB2 GLN A 48 78.294 -11.092 6.060 1.00 1.00 H new ATOM 0 HB3 GLN A 48 79.306 -9.987 5.151 1.00 1.00 H new ATOM 0 HG2 GLN A 48 79.097 -11.325 3.121 1.00 1.00 H new ATOM 0 HG3 GLN A 48 78.360 -12.653 3.995 1.00 1.00 H new ATOM 0 HE21 GLN A 48 77.682 -9.820 2.180 1.00 1.00 H new ATOM 0 HE22 GLN A 48 75.977 -9.660 2.618 1.00 1.00 H new ATOM 757 N GLY A 49 81.581 -10.661 3.982 1.00 1.00 N ATOM 758 CA GLY A 49 82.550 -10.563 2.855 1.00 1.00 C ATOM 759 C GLY A 49 82.529 -9.145 2.283 1.00 1.00 C ATOM 760 O GLY A 49 82.295 -8.184 2.989 1.00 1.00 O ATOM 0 H GLY A 49 81.205 -9.771 4.310 1.00 1.00 H new ATOM 0 HA2 GLY A 49 83.553 -10.811 3.202 1.00 1.00 H new ATOM 0 HA3 GLY A 49 82.294 -11.283 2.078 1.00 1.00 H new ATOM 764 N CYS A 50 82.772 -9.005 1.008 1.00 1.00 N ATOM 765 CA CYS A 50 82.766 -7.648 0.392 1.00 1.00 C ATOM 766 C CYS A 50 83.697 -6.725 1.183 1.00 1.00 C ATOM 767 O CYS A 50 83.758 -5.536 0.942 1.00 1.00 O ATOM 768 CB CYS A 50 81.344 -7.083 0.414 1.00 1.00 C ATOM 769 SG CYS A 50 80.438 -7.675 -1.037 1.00 1.00 S ATOM 0 H CYS A 50 82.974 -9.772 0.367 1.00 1.00 H new ATOM 0 HA CYS A 50 83.112 -7.715 -0.639 1.00 1.00 H new ATOM 0 HB2 CYS A 50 80.833 -7.391 1.326 1.00 1.00 H new ATOM 0 HB3 CYS A 50 81.374 -5.993 0.418 1.00 1.00 H new ATOM 774 N GLY A 51 84.424 -7.264 2.125 1.00 1.00 N ATOM 775 CA GLY A 51 85.353 -6.420 2.932 1.00 1.00 C ATOM 776 C GLY A 51 86.772 -6.548 2.377 1.00 1.00 C ATOM 777 O GLY A 51 87.264 -7.636 2.149 1.00 1.00 O ATOM 0 H GLY A 51 84.415 -8.254 2.371 1.00 1.00 H new ATOM 0 HA2 GLY A 51 85.033 -5.379 2.903 1.00 1.00 H new ATOM 0 HA3 GLY A 51 85.330 -6.732 3.976 1.00 1.00 H new ATOM 781 N ASP A 52 87.435 -5.445 2.157 1.00 1.00 N ATOM 782 CA ASP A 52 88.823 -5.503 1.615 1.00 1.00 C ATOM 783 C ASP A 52 89.823 -5.558 2.772 1.00 1.00 C ATOM 784 O ASP A 52 90.346 -6.604 3.102 1.00 1.00 O ATOM 785 CB ASP A 52 89.090 -4.257 0.767 1.00 1.00 C ATOM 786 CG ASP A 52 88.528 -3.025 1.479 1.00 1.00 C ATOM 787 OD1 ASP A 52 87.343 -3.023 1.770 1.00 1.00 O ATOM 788 OD2 ASP A 52 89.291 -2.105 1.721 1.00 1.00 O ATOM 0 H ASP A 52 87.075 -4.506 2.329 1.00 1.00 H new ATOM 0 HA ASP A 52 88.935 -6.394 0.998 1.00 1.00 H new ATOM 0 HB2 ASP A 52 90.161 -4.138 0.603 1.00 1.00 H new ATOM 0 HB3 ASP A 52 88.627 -4.366 -0.214 1.00 1.00 H new ATOM 793 N ASP A 53 90.095 -4.438 3.389 1.00 1.00 N ATOM 794 CA ASP A 53 91.065 -4.419 4.524 1.00 1.00 C ATOM 795 C ASP A 53 90.307 -4.309 5.849 1.00 1.00 C ATOM 796 O ASP A 53 89.946 -5.299 6.453 1.00 1.00 O ATOM 797 CB ASP A 53 91.998 -3.216 4.373 1.00 1.00 C ATOM 798 CG ASP A 53 92.926 -3.436 3.177 1.00 1.00 C ATOM 799 OD1 ASP A 53 92.921 -4.532 2.642 1.00 1.00 O ATOM 800 OD2 ASP A 53 93.626 -2.504 2.816 1.00 1.00 O ATOM 0 H ASP A 53 89.686 -3.533 3.155 1.00 1.00 H new ATOM 0 HA ASP A 53 91.648 -5.340 4.516 1.00 1.00 H new ATOM 0 HB2 ASP A 53 91.415 -2.306 4.232 1.00 1.00 H new ATOM 0 HB3 ASP A 53 92.585 -3.081 5.282 1.00 1.00 H new ATOM 805 N ILE A 54 90.067 -3.108 6.307 1.00 1.00 N ATOM 806 CA ILE A 54 89.337 -2.923 7.596 1.00 1.00 C ATOM 807 C ILE A 54 88.309 -1.792 7.438 1.00 1.00 C ATOM 808 O ILE A 54 88.669 -0.635 7.347 1.00 1.00 O ATOM 809 CB ILE A 54 90.342 -2.557 8.695 1.00 1.00 C ATOM 810 CG1 ILE A 54 89.618 -2.478 10.041 1.00 1.00 C ATOM 811 CG2 ILE A 54 90.975 -1.201 8.378 1.00 1.00 C ATOM 812 CD1 ILE A 54 90.605 -2.048 11.128 1.00 1.00 C ATOM 0 H ILE A 54 90.346 -2.244 5.842 1.00 1.00 H new ATOM 0 HA ILE A 54 88.822 -3.845 7.866 1.00 1.00 H new ATOM 0 HB ILE A 54 91.120 -3.319 8.743 1.00 1.00 H new ATOM 0 HG12 ILE A 54 88.794 -1.767 9.981 1.00 1.00 H new ATOM 0 HG13 ILE A 54 89.185 -3.447 10.291 1.00 1.00 H new ATOM 0 HG21 ILE A 54 91.689 -0.941 9.159 1.00 1.00 H new ATOM 0 HG22 ILE A 54 91.490 -1.255 7.419 1.00 1.00 H new ATOM 0 HG23 ILE A 54 90.197 -0.439 8.329 1.00 1.00 H new ATOM 0 HD11 ILE A 54 90.089 -1.992 12.086 1.00 1.00 H new ATOM 0 HD12 ILE A 54 91.414 -2.776 11.193 1.00 1.00 H new ATOM 0 HD13 ILE A 54 91.016 -1.070 10.880 1.00 1.00 H new ATOM 824 N PRO A 55 87.038 -2.115 7.397 1.00 1.00 N ATOM 825 CA PRO A 55 85.962 -1.097 7.241 1.00 1.00 C ATOM 826 C PRO A 55 85.606 -0.417 8.569 1.00 1.00 C ATOM 827 O PRO A 55 86.271 0.503 9.002 1.00 1.00 O ATOM 828 CB PRO A 55 84.783 -1.916 6.715 1.00 1.00 C ATOM 829 CG PRO A 55 84.975 -3.279 7.298 1.00 1.00 C ATOM 830 CD PRO A 55 86.484 -3.476 7.491 1.00 1.00 C ATOM 0 HA PRO A 55 86.257 -0.281 6.582 1.00 1.00 H new ATOM 0 HB2 PRO A 55 83.832 -1.484 7.025 1.00 1.00 H new ATOM 0 HB3 PRO A 55 84.779 -1.949 5.625 1.00 1.00 H new ATOM 0 HG2 PRO A 55 84.450 -3.369 8.249 1.00 1.00 H new ATOM 0 HG3 PRO A 55 84.568 -4.043 6.635 1.00 1.00 H new ATOM 0 HD2 PRO A 55 86.706 -3.931 8.456 1.00 1.00 H new ATOM 0 HD3 PRO A 55 86.902 -4.130 6.726 1.00 1.00 H new ATOM 838 N GLY A 56 84.559 -0.859 9.214 1.00 1.00 N ATOM 839 CA GLY A 56 84.156 -0.237 10.510 1.00 1.00 C ATOM 840 C GLY A 56 84.659 -1.092 11.674 1.00 1.00 C ATOM 841 O GLY A 56 84.216 -0.951 12.796 1.00 1.00 O ATOM 0 H GLY A 56 83.964 -1.625 8.899 1.00 1.00 H new ATOM 0 HA2 GLY A 56 84.566 0.770 10.583 1.00 1.00 H new ATOM 0 HA3 GLY A 56 83.071 -0.144 10.557 1.00 1.00 H new ATOM 845 N MET A 57 85.583 -1.978 11.419 1.00 1.00 N ATOM 846 CA MET A 57 86.111 -2.838 12.516 1.00 1.00 C ATOM 847 C MET A 57 84.943 -3.473 13.274 1.00 1.00 C ATOM 848 O MET A 57 85.031 -3.746 14.455 1.00 1.00 O ATOM 849 CB MET A 57 86.943 -1.982 13.478 1.00 1.00 C ATOM 850 CG MET A 57 87.872 -2.883 14.294 1.00 1.00 C ATOM 851 SD MET A 57 88.409 -2.006 15.783 1.00 1.00 S ATOM 852 CE MET A 57 88.537 -3.452 16.864 1.00 1.00 C ATOM 0 H MET A 57 85.994 -2.143 10.500 1.00 1.00 H new ATOM 0 HA MET A 57 86.738 -3.624 12.094 1.00 1.00 H new ATOM 0 HB2 MET A 57 87.527 -1.252 12.918 1.00 1.00 H new ATOM 0 HB3 MET A 57 86.286 -1.422 14.144 1.00 1.00 H new ATOM 0 HG2 MET A 57 87.356 -3.803 14.567 1.00 1.00 H new ATOM 0 HG3 MET A 57 88.737 -3.169 13.695 1.00 1.00 H new ATOM 0 HE1 MET A 57 88.861 -3.137 17.856 1.00 1.00 H new ATOM 0 HE2 MET A 57 87.564 -3.939 16.937 1.00 1.00 H new ATOM 0 HE3 MET A 57 89.263 -4.152 16.451 1.00 1.00 H new ATOM 862 N GLU A 58 83.847 -3.711 12.607 1.00 1.00 N ATOM 863 CA GLU A 58 82.677 -4.328 13.293 1.00 1.00 C ATOM 864 C GLU A 58 81.662 -4.798 12.248 1.00 1.00 C ATOM 865 O GLU A 58 80.972 -5.780 12.437 1.00 1.00 O ATOM 866 CB GLU A 58 82.024 -3.296 14.219 1.00 1.00 C ATOM 867 CG GLU A 58 81.335 -2.217 13.381 1.00 1.00 C ATOM 868 CD GLU A 58 79.925 -2.681 13.011 1.00 1.00 C ATOM 869 OE1 GLU A 58 79.177 -3.018 13.914 1.00 1.00 O ATOM 870 OE2 GLU A 58 79.617 -2.691 11.830 1.00 1.00 O ATOM 0 H GLU A 58 83.711 -3.505 11.617 1.00 1.00 H new ATOM 0 HA GLU A 58 83.010 -5.182 13.883 1.00 1.00 H new ATOM 0 HB2 GLU A 58 81.298 -3.784 14.869 1.00 1.00 H new ATOM 0 HB3 GLU A 58 82.777 -2.844 14.864 1.00 1.00 H new ATOM 0 HG2 GLU A 58 81.287 -1.283 13.940 1.00 1.00 H new ATOM 0 HG3 GLU A 58 81.913 -2.019 12.478 1.00 1.00 H new ATOM 877 N GLY A 59 81.566 -4.106 11.147 1.00 1.00 N ATOM 878 CA GLY A 59 80.596 -4.514 10.092 1.00 1.00 C ATOM 879 C GLY A 59 80.526 -3.430 9.016 1.00 1.00 C ATOM 880 O GLY A 59 80.739 -3.686 7.848 1.00 1.00 O ATOM 0 H GLY A 59 82.117 -3.275 10.932 1.00 1.00 H new ATOM 0 HA2 GLY A 59 80.902 -5.462 9.649 1.00 1.00 H new ATOM 0 HA3 GLY A 59 79.610 -4.670 10.530 1.00 1.00 H new ATOM 884 N CYS A 60 80.230 -2.219 9.401 1.00 1.00 N ATOM 885 CA CYS A 60 80.148 -1.119 8.399 1.00 1.00 C ATOM 886 C CYS A 60 80.096 0.228 9.122 1.00 1.00 C ATOM 887 O CYS A 60 80.466 0.340 10.274 1.00 1.00 O ATOM 888 CB CYS A 60 78.885 -1.292 7.552 1.00 1.00 C ATOM 889 SG CYS A 60 77.450 -1.484 8.639 1.00 1.00 S ATOM 0 H CYS A 60 80.042 -1.944 10.365 1.00 1.00 H new ATOM 0 HA CYS A 60 81.026 -1.151 7.753 1.00 1.00 H new ATOM 0 HB2 CYS A 60 78.749 -0.428 6.902 1.00 1.00 H new ATOM 0 HB3 CYS A 60 78.984 -2.164 6.906 1.00 1.00 H new ATOM 894 N GLY A 61 79.639 1.250 8.455 1.00 1.00 N ATOM 895 CA GLY A 61 79.561 2.587 9.101 1.00 1.00 C ATOM 896 C GLY A 61 78.451 2.579 10.149 1.00 1.00 C ATOM 897 O GLY A 61 78.123 1.554 10.713 1.00 1.00 O ATOM 0 H GLY A 61 79.316 1.216 7.488 1.00 1.00 H new ATOM 0 HA2 GLY A 61 80.515 2.834 9.567 1.00 1.00 H new ATOM 0 HA3 GLY A 61 79.364 3.354 8.352 1.00 1.00 H new ATOM 901 N THR A 62 77.872 3.714 10.418 1.00 1.00 N ATOM 902 CA THR A 62 76.785 3.773 11.435 1.00 1.00 C ATOM 903 C THR A 62 76.364 5.229 11.643 1.00 1.00 C ATOM 904 O THR A 62 75.253 5.511 12.047 1.00 1.00 O ATOM 905 CB THR A 62 77.285 3.188 12.763 1.00 1.00 C ATOM 906 OG1 THR A 62 76.637 3.847 13.842 1.00 1.00 O ATOM 907 CG2 THR A 62 78.797 3.388 12.874 1.00 1.00 C ATOM 0 H THR A 62 78.104 4.605 9.978 1.00 1.00 H new ATOM 0 HA THR A 62 75.931 3.192 11.086 1.00 1.00 H new ATOM 0 HB THR A 62 77.059 2.122 12.799 1.00 1.00 H new ATOM 0 HG1 THR A 62 76.954 3.474 14.691 1.00 1.00 H new ATOM 0 HG21 THR A 62 79.151 2.972 13.817 1.00 1.00 H new ATOM 0 HG22 THR A 62 79.293 2.882 12.046 1.00 1.00 H new ATOM 0 HG23 THR A 62 79.027 4.453 12.838 1.00 1.00 H new ATOM 915 N ASP A 63 77.239 6.158 11.366 1.00 1.00 N ATOM 916 CA ASP A 63 76.879 7.593 11.546 1.00 1.00 C ATOM 917 C ASP A 63 75.541 7.862 10.858 1.00 1.00 C ATOM 918 O ASP A 63 74.778 8.713 11.270 1.00 1.00 O ATOM 919 CB ASP A 63 77.963 8.474 10.921 1.00 1.00 C ATOM 920 CG ASP A 63 79.201 8.476 11.819 1.00 1.00 C ATOM 921 OD1 ASP A 63 79.405 7.496 12.517 1.00 1.00 O ATOM 922 OD2 ASP A 63 79.925 9.458 11.795 1.00 1.00 O ATOM 0 H ASP A 63 78.184 5.986 11.024 1.00 1.00 H new ATOM 0 HA ASP A 63 76.798 7.822 12.609 1.00 1.00 H new ATOM 0 HB2 ASP A 63 78.221 8.103 9.929 1.00 1.00 H new ATOM 0 HB3 ASP A 63 77.591 9.491 10.794 1.00 1.00 H new ATOM 927 N ILE A 64 75.249 7.136 9.814 1.00 1.00 N ATOM 928 CA ILE A 64 73.960 7.338 9.097 1.00 1.00 C ATOM 929 C ILE A 64 72.818 6.772 9.936 1.00 1.00 C ATOM 930 O ILE A 64 72.096 7.500 10.585 1.00 1.00 O ATOM 931 CB ILE A 64 74.005 6.610 7.757 1.00 1.00 C ATOM 932 CG1 ILE A 64 75.273 7.013 7.001 1.00 1.00 C ATOM 933 CG2 ILE A 64 72.776 6.989 6.928 1.00 1.00 C ATOM 934 CD1 ILE A 64 75.413 8.537 7.014 1.00 1.00 C ATOM 0 H ILE A 64 75.850 6.409 9.426 1.00 1.00 H new ATOM 0 HA ILE A 64 73.801 8.403 8.931 1.00 1.00 H new ATOM 0 HB ILE A 64 74.009 5.534 7.929 1.00 1.00 H new ATOM 0 HG12 ILE A 64 76.146 6.553 7.463 1.00 1.00 H new ATOM 0 HG13 ILE A 64 75.228 6.650 5.974 1.00 1.00 H new ATOM 0 HG21 ILE A 64 72.808 6.469 5.971 1.00 1.00 H new ATOM 0 HG22 ILE A 64 71.872 6.703 7.466 1.00 1.00 H new ATOM 0 HG23 ILE A 64 72.771 8.065 6.756 1.00 1.00 H new ATOM 0 HD11 ILE A 64 76.316 8.824 6.476 1.00 1.00 H new ATOM 0 HD12 ILE A 64 74.545 8.986 6.532 1.00 1.00 H new ATOM 0 HD13 ILE A 64 75.478 8.888 8.044 1.00 1.00 H new ATOM 946 N THR A 65 72.655 5.474 9.925 1.00 1.00 N ATOM 947 CA THR A 65 71.566 4.835 10.722 1.00 1.00 C ATOM 948 C THR A 65 70.240 4.906 9.961 1.00 1.00 C ATOM 949 O THR A 65 69.345 4.118 10.194 1.00 1.00 O ATOM 950 CB THR A 65 71.413 5.552 12.069 1.00 1.00 C ATOM 951 OG1 THR A 65 72.688 5.985 12.520 1.00 1.00 O ATOM 952 CG2 THR A 65 70.806 4.593 13.094 1.00 1.00 C ATOM 0 H THR A 65 73.235 4.825 9.393 1.00 1.00 H new ATOM 0 HA THR A 65 71.829 3.791 10.891 1.00 1.00 H new ATOM 0 HB THR A 65 70.757 6.414 11.949 1.00 1.00 H new ATOM 0 HG1 THR A 65 73.367 5.328 12.260 1.00 1.00 H new ATOM 0 HG21 THR A 65 70.698 5.104 14.051 1.00 1.00 H new ATOM 0 HG22 THR A 65 69.827 4.261 12.747 1.00 1.00 H new ATOM 0 HG23 THR A 65 71.460 3.729 13.216 1.00 1.00 H new ATOM 960 N VAL A 66 70.093 5.846 9.064 1.00 1.00 N ATOM 961 CA VAL A 66 68.805 5.955 8.313 1.00 1.00 C ATOM 962 C VAL A 66 69.063 6.289 6.838 1.00 1.00 C ATOM 963 O VAL A 66 68.931 5.442 5.977 1.00 1.00 O ATOM 964 CB VAL A 66 67.936 7.051 8.948 1.00 1.00 C ATOM 965 CG1 VAL A 66 67.025 6.431 10.009 1.00 1.00 C ATOM 966 CG2 VAL A 66 68.838 8.100 9.602 1.00 1.00 C ATOM 0 H VAL A 66 70.802 6.538 8.820 1.00 1.00 H new ATOM 0 HA VAL A 66 68.287 4.997 8.364 1.00 1.00 H new ATOM 0 HB VAL A 66 67.326 7.523 8.177 1.00 1.00 H new ATOM 0 HG11 VAL A 66 66.409 7.209 10.459 1.00 1.00 H new ATOM 0 HG12 VAL A 66 66.383 5.683 9.545 1.00 1.00 H new ATOM 0 HG13 VAL A 66 67.634 5.959 10.780 1.00 1.00 H new ATOM 0 HG21 VAL A 66 68.223 8.879 10.053 1.00 1.00 H new ATOM 0 HG22 VAL A 66 69.447 7.627 10.372 1.00 1.00 H new ATOM 0 HG23 VAL A 66 69.488 8.543 8.847 1.00 1.00 H new ATOM 976 N ILE A 67 69.399 7.516 6.533 1.00 1.00 N ATOM 977 CA ILE A 67 69.629 7.894 5.102 1.00 1.00 C ATOM 978 C ILE A 67 71.072 8.357 4.885 1.00 1.00 C ATOM 979 O ILE A 67 71.477 9.407 5.344 1.00 1.00 O ATOM 980 CB ILE A 67 68.674 9.029 4.723 1.00 1.00 C ATOM 981 CG1 ILE A 67 67.232 8.521 4.780 1.00 1.00 C ATOM 982 CG2 ILE A 67 68.988 9.509 3.305 1.00 1.00 C ATOM 983 CD1 ILE A 67 66.268 9.705 4.683 1.00 1.00 C ATOM 0 H ILE A 67 69.524 8.271 7.208 1.00 1.00 H new ATOM 0 HA ILE A 67 69.447 7.020 4.477 1.00 1.00 H new ATOM 0 HB ILE A 67 68.798 9.856 5.422 1.00 1.00 H new ATOM 0 HG12 ILE A 67 67.049 7.822 3.964 1.00 1.00 H new ATOM 0 HG13 ILE A 67 67.064 7.977 5.709 1.00 1.00 H new ATOM 0 HG21 ILE A 67 68.308 10.317 3.035 1.00 1.00 H new ATOM 0 HG22 ILE A 67 70.016 9.870 3.262 1.00 1.00 H new ATOM 0 HG23 ILE A 67 68.865 8.682 2.605 1.00 1.00 H new ATOM 0 HD11 ILE A 67 65.241 9.342 4.724 1.00 1.00 H new ATOM 0 HD12 ILE A 67 66.445 10.387 5.514 1.00 1.00 H new ATOM 0 HD13 ILE A 67 66.430 10.230 3.742 1.00 1.00 H new ATOM 995 N CYS A 68 71.844 7.582 4.171 1.00 1.00 N ATOM 996 CA CYS A 68 73.258 7.970 3.899 1.00 1.00 C ATOM 997 C CYS A 68 73.289 8.996 2.761 1.00 1.00 C ATOM 998 O CYS A 68 72.436 8.994 1.895 1.00 1.00 O ATOM 999 CB CYS A 68 74.057 6.726 3.492 1.00 1.00 C ATOM 1000 SG CYS A 68 73.767 6.366 1.742 1.00 1.00 S ATOM 0 H CYS A 68 71.554 6.693 3.763 1.00 1.00 H new ATOM 0 HA CYS A 68 73.700 8.406 4.795 1.00 1.00 H new ATOM 0 HB2 CYS A 68 75.120 6.890 3.669 1.00 1.00 H new ATOM 0 HB3 CYS A 68 73.760 5.874 4.103 1.00 1.00 H new ATOM 1005 N PRO A 69 74.265 9.869 2.754 1.00 1.00 N ATOM 1006 CA PRO A 69 74.394 10.909 1.692 1.00 1.00 C ATOM 1007 C PRO A 69 74.679 10.282 0.325 1.00 1.00 C ATOM 1008 O PRO A 69 74.589 10.929 -0.700 1.00 1.00 O ATOM 1009 CB PRO A 69 75.574 11.776 2.154 1.00 1.00 C ATOM 1010 CG PRO A 69 76.347 10.924 3.106 1.00 1.00 C ATOM 1011 CD PRO A 69 75.347 9.959 3.747 1.00 1.00 C ATOM 0 HA PRO A 69 73.476 11.482 1.565 1.00 1.00 H new ATOM 0 HB2 PRO A 69 76.192 12.080 1.309 1.00 1.00 H new ATOM 0 HB3 PRO A 69 75.225 12.688 2.638 1.00 1.00 H new ATOM 0 HG2 PRO A 69 77.133 10.377 2.585 1.00 1.00 H new ATOM 0 HG3 PRO A 69 76.834 11.536 3.865 1.00 1.00 H new ATOM 0 HD2 PRO A 69 75.797 8.985 3.939 1.00 1.00 H new ATOM 0 HD3 PRO A 69 74.983 10.336 4.703 1.00 1.00 H new ATOM 1019 N TRP A 70 75.018 9.021 0.305 1.00 1.00 N ATOM 1020 CA TRP A 70 75.303 8.343 -0.989 1.00 1.00 C ATOM 1021 C TRP A 70 73.978 7.958 -1.654 1.00 1.00 C ATOM 1022 O TRP A 70 73.907 7.764 -2.852 1.00 1.00 O ATOM 1023 CB TRP A 70 76.142 7.083 -0.726 1.00 1.00 C ATOM 1024 CG TRP A 70 77.194 6.955 -1.780 1.00 1.00 C ATOM 1025 CD1 TRP A 70 76.954 6.795 -3.102 1.00 1.00 C ATOM 1026 CD2 TRP A 70 78.644 6.972 -1.627 1.00 1.00 C ATOM 1027 NE1 TRP A 70 78.162 6.713 -3.770 1.00 1.00 N ATOM 1028 CE2 TRP A 70 79.233 6.816 -2.905 1.00 1.00 C ATOM 1029 CE3 TRP A 70 79.495 7.105 -0.516 1.00 1.00 C ATOM 1030 CZ2 TRP A 70 80.620 6.795 -3.073 1.00 1.00 C ATOM 1031 CZ3 TRP A 70 80.888 7.083 -0.681 1.00 1.00 C ATOM 1032 CH2 TRP A 70 81.450 6.929 -1.956 1.00 1.00 C ATOM 0 H TRP A 70 75.110 8.431 1.132 1.00 1.00 H new ATOM 0 HA TRP A 70 75.857 9.012 -1.647 1.00 1.00 H new ATOM 0 HB2 TRP A 70 76.605 7.140 0.259 1.00 1.00 H new ATOM 0 HB3 TRP A 70 75.502 6.201 -0.727 1.00 1.00 H new ATOM 0 HD1 TRP A 70 75.978 6.740 -3.561 1.00 1.00 H new ATOM 0 HE1 TRP A 70 78.251 6.591 -4.779 1.00 1.00 H new ATOM 0 HE3 TRP A 70 79.074 7.225 0.471 1.00 1.00 H new ATOM 0 HZ2 TRP A 70 81.047 6.676 -4.058 1.00 1.00 H new ATOM 0 HZ3 TRP A 70 81.532 7.185 0.180 1.00 1.00 H new ATOM 0 HH2 TRP A 70 82.523 6.914 -2.075 1.00 1.00 H new ATOM 1043 N GLU A 71 72.928 7.848 -0.884 1.00 1.00 N ATOM 1044 CA GLU A 71 71.606 7.478 -1.467 1.00 1.00 C ATOM 1045 C GLU A 71 71.364 8.303 -2.733 1.00 1.00 C ATOM 1046 O GLU A 71 71.014 7.776 -3.770 1.00 1.00 O ATOM 1047 CB GLU A 71 70.499 7.768 -0.443 1.00 1.00 C ATOM 1048 CG GLU A 71 70.255 6.523 0.412 1.00 1.00 C ATOM 1049 CD GLU A 71 69.350 5.551 -0.347 1.00 1.00 C ATOM 1050 OE1 GLU A 71 69.807 4.990 -1.329 1.00 1.00 O ATOM 1051 OE2 GLU A 71 68.214 5.384 0.067 1.00 1.00 O ATOM 0 H GLU A 71 72.929 7.999 0.125 1.00 1.00 H new ATOM 0 HA GLU A 71 71.598 6.417 -1.717 1.00 1.00 H new ATOM 0 HB2 GLU A 71 70.786 8.607 0.191 1.00 1.00 H new ATOM 0 HB3 GLU A 71 69.581 8.056 -0.956 1.00 1.00 H new ATOM 0 HG2 GLU A 71 71.203 6.042 0.651 1.00 1.00 H new ATOM 0 HG3 GLU A 71 69.792 6.804 1.358 1.00 1.00 H new ATOM 1058 N ALA A 72 71.553 9.591 -2.657 1.00 1.00 N ATOM 1059 CA ALA A 72 71.340 10.447 -3.857 1.00 1.00 C ATOM 1060 C ALA A 72 72.357 10.063 -4.933 1.00 1.00 C ATOM 1061 O ALA A 72 73.281 10.799 -5.218 1.00 1.00 O ATOM 1062 CB ALA A 72 71.531 11.917 -3.476 1.00 1.00 C ATOM 0 H ALA A 72 71.846 10.088 -1.816 1.00 1.00 H new ATOM 0 HA ALA A 72 70.329 10.301 -4.238 1.00 1.00 H new ATOM 0 HB1 ALA A 72 71.375 12.544 -4.354 1.00 1.00 H new ATOM 0 HB2 ALA A 72 70.812 12.189 -2.704 1.00 1.00 H new ATOM 0 HB3 ALA A 72 72.543 12.067 -3.098 1.00 1.00 H new ATOM 1068 N CYS A 73 72.200 8.913 -5.530 1.00 1.00 N ATOM 1069 CA CYS A 73 73.164 8.483 -6.581 1.00 1.00 C ATOM 1070 C CYS A 73 72.878 9.239 -7.879 1.00 1.00 C ATOM 1071 O CYS A 73 72.133 8.783 -8.724 1.00 1.00 O ATOM 1072 CB CYS A 73 73.019 6.979 -6.824 1.00 1.00 C ATOM 1073 SG CYS A 73 71.286 6.585 -7.166 1.00 1.00 S ATOM 0 H CYS A 73 71.447 8.254 -5.335 1.00 1.00 H new ATOM 0 HA CYS A 73 74.180 8.701 -6.251 1.00 1.00 H new ATOM 0 HB2 CYS A 73 73.644 6.674 -7.663 1.00 1.00 H new ATOM 0 HB3 CYS A 73 73.363 6.424 -5.951 1.00 1.00 H new ATOM 1078 N ASN A 74 73.472 10.388 -8.048 1.00 1.00 N ATOM 1079 CA ASN A 74 73.243 11.168 -9.296 1.00 1.00 C ATOM 1080 C ASN A 74 74.090 10.568 -10.418 1.00 1.00 C ATOM 1081 O ASN A 74 74.137 11.080 -11.519 1.00 1.00 O ATOM 1082 CB ASN A 74 73.649 12.625 -9.068 1.00 1.00 C ATOM 1083 CG ASN A 74 72.913 13.175 -7.844 1.00 1.00 C ATOM 1084 OD1 ASN A 74 71.739 12.696 -7.535 1.00 1.00 O flip ATOM 1085 ND2 ASN A 74 73.412 14.049 -7.163 1.00 1.00 N flip ATOM 0 H ASN A 74 74.106 10.820 -7.376 1.00 1.00 H new ATOM 0 HA ASN A 74 72.189 11.129 -9.570 1.00 1.00 H new ATOM 0 HB2 ASN A 74 74.727 12.694 -8.919 1.00 1.00 H new ATOM 0 HB3 ASN A 74 73.410 13.222 -9.948 1.00 1.00 H new ATOM 0 HD21 ASN A 74 74.330 14.423 -7.405 1.00 1.00 H new ATOM 0 HD22 ASN A 74 72.913 14.409 -6.349 1.00 1.00 H new ATOM 1092 N HIS A 75 74.762 9.484 -10.142 1.00 1.00 N ATOM 1093 CA HIS A 75 75.611 8.842 -11.183 1.00 1.00 C ATOM 1094 C HIS A 75 76.121 7.498 -10.658 1.00 1.00 C ATOM 1095 O HIS A 75 76.633 7.403 -9.561 1.00 1.00 O ATOM 1096 CB HIS A 75 76.800 9.751 -11.505 1.00 1.00 C ATOM 1097 CG HIS A 75 77.753 9.028 -12.417 1.00 1.00 C ATOM 1098 ND1 HIS A 75 78.475 7.919 -12.002 1.00 1.00 N ATOM 1099 CD2 HIS A 75 78.113 9.243 -13.725 1.00 1.00 C ATOM 1100 CE1 HIS A 75 79.226 7.510 -13.040 1.00 1.00 C ATOM 1101 NE2 HIS A 75 79.043 8.283 -14.113 1.00 1.00 N ATOM 0 H HIS A 75 74.759 9.014 -9.237 1.00 1.00 H new ATOM 0 HA HIS A 75 75.024 8.682 -12.088 1.00 1.00 H new ATOM 0 HB2 HIS A 75 76.452 10.669 -11.979 1.00 1.00 H new ATOM 0 HB3 HIS A 75 77.309 10.041 -10.586 1.00 1.00 H new ATOM 0 HD2 HIS A 75 77.733 10.034 -14.355 1.00 1.00 H new ATOM 0 HE1 HIS A 75 79.894 6.662 -13.009 1.00 1.00 H new ATOM 0 HE2 HIS A 75 79.490 8.190 -15.025 1.00 1.00 H new ATOM 1110 N CYS A 76 75.984 6.456 -11.432 1.00 1.00 N ATOM 1111 CA CYS A 76 76.459 5.119 -10.977 1.00 1.00 C ATOM 1112 C CYS A 76 76.842 4.275 -12.194 1.00 1.00 C ATOM 1113 O CYS A 76 76.623 3.080 -12.226 1.00 1.00 O ATOM 1114 CB CYS A 76 75.342 4.419 -10.201 1.00 1.00 C ATOM 1115 SG CYS A 76 75.986 2.900 -9.457 1.00 1.00 S ATOM 0 H CYS A 76 75.563 6.473 -12.361 1.00 1.00 H new ATOM 0 HA CYS A 76 77.328 5.241 -10.331 1.00 1.00 H new ATOM 0 HB2 CYS A 76 74.953 5.080 -9.426 1.00 1.00 H new ATOM 0 HB3 CYS A 76 74.512 4.187 -10.868 1.00 1.00 H new ATOM 1120 N GLU A 77 77.410 4.888 -13.196 1.00 1.00 N ATOM 1121 CA GLU A 77 77.804 4.123 -14.412 1.00 1.00 C ATOM 1122 C GLU A 77 79.019 3.246 -14.098 1.00 1.00 C ATOM 1123 O GLU A 77 79.011 2.053 -14.334 1.00 1.00 O ATOM 1124 CB GLU A 77 78.158 5.102 -15.539 1.00 1.00 C ATOM 1125 CG GLU A 77 76.890 5.477 -16.309 1.00 1.00 C ATOM 1126 CD GLU A 77 77.253 6.403 -17.471 1.00 1.00 C ATOM 1127 OE1 GLU A 77 77.408 7.589 -17.232 1.00 1.00 O ATOM 1128 OE2 GLU A 77 77.369 5.910 -18.581 1.00 1.00 O ATOM 0 H GLU A 77 77.618 5.886 -13.225 1.00 1.00 H new ATOM 0 HA GLU A 77 76.974 3.490 -14.725 1.00 1.00 H new ATOM 0 HB2 GLU A 77 78.622 5.997 -15.125 1.00 1.00 H new ATOM 0 HB3 GLU A 77 78.885 4.649 -16.213 1.00 1.00 H new ATOM 0 HG2 GLU A 77 76.401 4.578 -16.685 1.00 1.00 H new ATOM 0 HG3 GLU A 77 76.181 5.971 -15.644 1.00 1.00 H new ATOM 1135 N LEU A 78 80.069 3.826 -13.580 1.00 1.00 N ATOM 1136 CA LEU A 78 81.284 3.021 -13.267 1.00 1.00 C ATOM 1137 C LEU A 78 81.614 2.136 -14.473 1.00 1.00 C ATOM 1138 O LEU A 78 82.108 2.609 -15.475 1.00 1.00 O ATOM 1139 CB LEU A 78 81.021 2.144 -12.034 1.00 1.00 C ATOM 1140 CG LEU A 78 81.353 2.933 -10.766 1.00 1.00 C ATOM 1141 CD1 LEU A 78 80.437 4.154 -10.669 1.00 1.00 C ATOM 1142 CD2 LEU A 78 81.142 2.039 -9.542 1.00 1.00 C ATOM 0 H LEU A 78 80.137 4.820 -13.361 1.00 1.00 H new ATOM 0 HA LEU A 78 82.123 3.684 -13.055 1.00 1.00 H new ATOM 0 HB2 LEU A 78 79.978 1.828 -12.015 1.00 1.00 H new ATOM 0 HB3 LEU A 78 81.628 1.240 -12.082 1.00 1.00 H new ATOM 0 HG LEU A 78 82.392 3.261 -10.803 1.00 1.00 H new ATOM 0 HD11 LEU A 78 80.674 4.716 -9.765 1.00 1.00 H new ATOM 0 HD12 LEU A 78 80.585 4.790 -11.541 1.00 1.00 H new ATOM 0 HD13 LEU A 78 79.398 3.827 -10.631 1.00 1.00 H new ATOM 0 HD21 LEU A 78 81.378 2.599 -8.637 1.00 1.00 H new ATOM 0 HD22 LEU A 78 80.103 1.712 -9.505 1.00 1.00 H new ATOM 0 HD23 LEU A 78 81.795 1.169 -9.610 1.00 1.00 H new ATOM 1154 N HIS A 79 81.334 0.861 -14.376 1.00 1.00 N ATOM 1155 CA HIS A 79 81.612 -0.083 -15.504 1.00 1.00 C ATOM 1156 C HIS A 79 81.808 -1.489 -14.928 1.00 1.00 C ATOM 1157 O HIS A 79 81.966 -2.452 -15.651 1.00 1.00 O ATOM 1158 CB HIS A 79 82.880 0.344 -16.262 1.00 1.00 C ATOM 1159 CG HIS A 79 83.401 -0.818 -17.062 1.00 1.00 C ATOM 1160 ND1 HIS A 79 82.684 -1.373 -18.113 1.00 1.00 N ATOM 1161 CD2 HIS A 79 84.565 -1.542 -16.978 1.00 1.00 C ATOM 1162 CE1 HIS A 79 83.415 -2.383 -18.615 1.00 1.00 C ATOM 1163 NE2 HIS A 79 84.569 -2.528 -17.960 1.00 1.00 N ATOM 0 H HIS A 79 80.919 0.427 -13.552 1.00 1.00 H new ATOM 0 HA HIS A 79 80.773 -0.073 -16.200 1.00 1.00 H new ATOM 0 HB2 HIS A 79 82.657 1.183 -16.922 1.00 1.00 H new ATOM 0 HB3 HIS A 79 83.640 0.685 -15.559 1.00 1.00 H new ATOM 0 HD2 HIS A 79 85.355 -1.372 -16.261 1.00 1.00 H new ATOM 0 HE1 HIS A 79 83.107 -3.001 -19.446 1.00 1.00 H new ATOM 0 HE2 HIS A 79 85.300 -3.216 -18.141 1.00 1.00 H new ATOM 1172 N GLU A 80 81.803 -1.609 -13.627 1.00 1.00 N ATOM 1173 CA GLU A 80 81.993 -2.946 -12.997 1.00 1.00 C ATOM 1174 C GLU A 80 80.651 -3.679 -12.917 1.00 1.00 C ATOM 1175 O GLU A 80 79.959 -3.834 -13.904 1.00 1.00 O ATOM 1176 CB GLU A 80 82.564 -2.766 -11.589 1.00 1.00 C ATOM 1177 CG GLU A 80 83.660 -1.698 -11.615 1.00 1.00 C ATOM 1178 CD GLU A 80 84.347 -1.639 -10.249 1.00 1.00 C ATOM 1179 OE1 GLU A 80 85.210 -2.466 -10.006 1.00 1.00 O ATOM 1180 OE2 GLU A 80 83.999 -0.766 -9.471 1.00 1.00 O ATOM 0 H GLU A 80 81.675 -0.837 -12.973 1.00 1.00 H new ATOM 0 HA GLU A 80 82.685 -3.534 -13.600 1.00 1.00 H new ATOM 0 HB2 GLU A 80 81.773 -2.473 -10.899 1.00 1.00 H new ATOM 0 HB3 GLU A 80 82.970 -3.710 -11.226 1.00 1.00 H new ATOM 0 HG2 GLU A 80 84.390 -1.929 -12.391 1.00 1.00 H new ATOM 0 HG3 GLU A 80 83.230 -0.727 -11.860 1.00 1.00 H new ATOM 1187 N LEU A 81 80.277 -4.135 -11.750 1.00 1.00 N ATOM 1188 CA LEU A 81 78.981 -4.861 -11.615 1.00 1.00 C ATOM 1189 C LEU A 81 77.844 -3.857 -11.417 1.00 1.00 C ATOM 1190 O LEU A 81 76.813 -4.175 -10.859 1.00 1.00 O ATOM 1191 CB LEU A 81 79.030 -5.836 -10.424 1.00 1.00 C ATOM 1192 CG LEU A 81 79.803 -5.204 -9.265 1.00 1.00 C ATOM 1193 CD1 LEU A 81 81.299 -5.209 -9.586 1.00 1.00 C ATOM 1194 CD2 LEU A 81 79.331 -3.763 -9.064 1.00 1.00 C ATOM 0 H LEU A 81 80.812 -4.036 -10.887 1.00 1.00 H new ATOM 0 HA LEU A 81 78.804 -5.433 -12.526 1.00 1.00 H new ATOM 0 HB2 LEU A 81 78.018 -6.085 -10.105 1.00 1.00 H new ATOM 0 HB3 LEU A 81 79.507 -6.768 -10.725 1.00 1.00 H new ATOM 0 HG LEU A 81 79.625 -5.776 -8.355 1.00 1.00 H new ATOM 0 HD11 LEU A 81 81.850 -4.759 -8.760 1.00 1.00 H new ATOM 0 HD12 LEU A 81 81.637 -6.235 -9.731 1.00 1.00 H new ATOM 0 HD13 LEU A 81 81.478 -4.637 -10.496 1.00 1.00 H new ATOM 0 HD21 LEU A 81 79.881 -3.312 -8.238 1.00 1.00 H new ATOM 0 HD22 LEU A 81 79.510 -3.191 -9.975 1.00 1.00 H new ATOM 0 HD23 LEU A 81 78.265 -3.758 -8.836 1.00 1.00 H new ATOM 1206 N ALA A 82 78.019 -2.647 -11.872 1.00 1.00 N ATOM 1207 CA ALA A 82 76.943 -1.628 -11.710 1.00 1.00 C ATOM 1208 C ALA A 82 75.727 -2.029 -12.550 1.00 1.00 C ATOM 1209 O ALA A 82 74.875 -1.217 -12.852 1.00 1.00 O ATOM 1210 CB ALA A 82 77.458 -0.265 -12.178 1.00 1.00 C ATOM 0 H ALA A 82 78.859 -2.320 -12.348 1.00 1.00 H new ATOM 0 HA ALA A 82 76.655 -1.568 -10.660 1.00 1.00 H new ATOM 0 HB1 ALA A 82 76.672 0.481 -12.060 1.00 1.00 H new ATOM 0 HB2 ALA A 82 78.323 0.022 -11.580 1.00 1.00 H new ATOM 0 HB3 ALA A 82 77.746 -0.326 -13.227 1.00 1.00 H new ATOM 1216 N GLN A 83 75.639 -3.276 -12.932 1.00 1.00 N ATOM 1217 CA GLN A 83 74.480 -3.726 -13.754 1.00 1.00 C ATOM 1218 C GLN A 83 74.413 -2.882 -15.030 1.00 1.00 C ATOM 1219 O GLN A 83 74.893 -3.279 -16.073 1.00 1.00 O ATOM 1220 CB GLN A 83 73.183 -3.562 -12.943 1.00 1.00 C ATOM 1221 CG GLN A 83 72.638 -4.941 -12.565 1.00 1.00 C ATOM 1222 CD GLN A 83 72.124 -5.649 -13.819 1.00 1.00 C ATOM 1223 OE1 GLN A 83 72.419 -5.241 -14.925 1.00 1.00 O ATOM 1224 NE2 GLN A 83 71.362 -6.701 -13.694 1.00 1.00 N ATOM 0 H GLN A 83 76.320 -4.002 -12.710 1.00 1.00 H new ATOM 0 HA GLN A 83 74.599 -4.776 -14.022 1.00 1.00 H new ATOM 0 HB2 GLN A 83 73.376 -2.977 -12.044 1.00 1.00 H new ATOM 0 HB3 GLN A 83 72.443 -3.015 -13.527 1.00 1.00 H new ATOM 0 HG2 GLN A 83 73.420 -5.536 -12.094 1.00 1.00 H new ATOM 0 HG3 GLN A 83 71.833 -4.838 -11.837 1.00 1.00 H new ATOM 0 HE21 GLN A 83 71.114 -7.044 -12.766 1.00 1.00 H new ATOM 0 HE22 GLN A 83 71.014 -7.180 -14.524 1.00 1.00 H new ATOM 1233 N TYR A 84 73.825 -1.718 -14.956 1.00 1.00 N ATOM 1234 CA TYR A 84 73.732 -0.849 -16.165 1.00 1.00 C ATOM 1235 C TYR A 84 73.865 0.617 -15.745 1.00 1.00 C ATOM 1236 O TYR A 84 74.332 1.447 -16.500 1.00 1.00 O ATOM 1237 CB TYR A 84 72.382 -1.070 -16.853 1.00 1.00 C ATOM 1238 CG TYR A 84 72.446 -2.320 -17.697 1.00 1.00 C ATOM 1239 CD1 TYR A 84 73.200 -2.331 -18.876 1.00 1.00 C ATOM 1240 CD2 TYR A 84 71.751 -3.469 -17.300 1.00 1.00 C ATOM 1241 CE1 TYR A 84 73.260 -3.490 -19.659 1.00 1.00 C ATOM 1242 CE2 TYR A 84 71.810 -4.628 -18.083 1.00 1.00 C ATOM 1243 CZ TYR A 84 72.565 -4.639 -19.262 1.00 1.00 C ATOM 1244 OH TYR A 84 72.623 -5.782 -20.034 1.00 1.00 O ATOM 0 H TYR A 84 73.405 -1.331 -14.111 1.00 1.00 H new ATOM 0 HA TYR A 84 74.533 -1.101 -16.860 1.00 1.00 H new ATOM 0 HB2 TYR A 84 71.592 -1.162 -16.107 1.00 1.00 H new ATOM 0 HB3 TYR A 84 72.134 -0.210 -17.476 1.00 1.00 H new ATOM 0 HD1 TYR A 84 73.736 -1.445 -19.182 1.00 1.00 H new ATOM 0 HD2 TYR A 84 71.170 -3.461 -16.390 1.00 1.00 H new ATOM 0 HE1 TYR A 84 73.842 -3.498 -20.569 1.00 1.00 H new ATOM 0 HE2 TYR A 84 71.273 -5.514 -17.778 1.00 1.00 H new ATOM 0 HH TYR A 84 72.086 -6.487 -19.616 1.00 1.00 H new ATOM 1254 N GLY A 85 73.465 0.945 -14.545 1.00 1.00 N ATOM 1255 CA GLY A 85 73.578 2.359 -14.084 1.00 1.00 C ATOM 1256 C GLY A 85 72.490 2.655 -13.050 1.00 1.00 C ATOM 1257 O GLY A 85 71.966 3.750 -12.987 1.00 1.00 O ATOM 0 H GLY A 85 73.066 0.297 -13.866 1.00 1.00 H new ATOM 0 HA2 GLY A 85 74.562 2.532 -13.649 1.00 1.00 H new ATOM 0 HA3 GLY A 85 73.481 3.037 -14.932 1.00 1.00 H new ATOM 1261 N ILE A 86 72.147 1.694 -12.236 1.00 1.00 N ATOM 1262 CA ILE A 86 71.095 1.934 -11.206 1.00 1.00 C ATOM 1263 C ILE A 86 71.368 1.069 -9.970 1.00 1.00 C ATOM 1264 O ILE A 86 71.291 1.536 -8.851 1.00 1.00 O ATOM 1265 CB ILE A 86 69.703 1.612 -11.777 1.00 1.00 C ATOM 1266 CG1 ILE A 86 69.642 0.133 -12.164 1.00 1.00 C ATOM 1267 CG2 ILE A 86 69.447 2.473 -13.015 1.00 1.00 C ATOM 1268 CD1 ILE A 86 70.695 -0.158 -13.236 1.00 1.00 C ATOM 0 H ILE A 86 72.548 0.756 -12.239 1.00 1.00 H new ATOM 0 HA ILE A 86 71.119 2.985 -10.919 1.00 1.00 H new ATOM 0 HB ILE A 86 68.944 1.824 -11.024 1.00 1.00 H new ATOM 0 HG12 ILE A 86 69.818 -0.491 -11.288 1.00 1.00 H new ATOM 0 HG13 ILE A 86 68.649 -0.115 -12.538 1.00 1.00 H new ATOM 0 HG21 ILE A 86 68.461 2.245 -13.419 1.00 1.00 H new ATOM 0 HG22 ILE A 86 69.492 3.527 -12.741 1.00 1.00 H new ATOM 0 HG23 ILE A 86 70.206 2.262 -13.768 1.00 1.00 H new ATOM 0 HD11 ILE A 86 70.652 -1.212 -13.512 1.00 1.00 H new ATOM 0 HD12 ILE A 86 70.498 0.456 -14.115 1.00 1.00 H new ATOM 0 HD13 ILE A 86 71.686 0.074 -12.845 1.00 1.00 H new ATOM 1280 N CYS A 87 71.690 -0.183 -10.153 1.00 1.00 N ATOM 1281 CA CYS A 87 71.967 -1.056 -8.977 1.00 1.00 C ATOM 1282 C CYS A 87 73.401 -0.820 -8.495 1.00 1.00 C ATOM 1283 CB CYS A 87 71.791 -2.526 -9.378 1.00 1.00 C ATOM 1284 SG CYS A 87 70.252 -3.163 -8.671 1.00 1.00 S ATOM 0 H CYS A 87 71.773 -0.637 -11.062 1.00 1.00 H new ATOM 0 HA CYS A 87 71.271 -0.817 -8.173 1.00 1.00 H new ATOM 0 HB2 CYS A 87 71.770 -2.618 -10.464 1.00 1.00 H new ATOM 0 HB3 CYS A 87 72.637 -3.115 -9.024 1.00 1.00 H new TER 1289 CYS A 87 HETATM 1290 C1C RCY A 110 59.628 -12.498 8.190 1.00 1.00 C HETATM 1291 O1G RCY A 110 55.887 -9.076 10.199 1.00 1.00 O HETATM 1292 O1H RCY A 110 57.240 -11.804 6.589 1.00 1.00 O HETATM 1293 O1J RCY A 110 60.118 -14.363 10.503 1.00 1.00 O HETATM 1294 C1L RCY A 110 55.319 -9.108 7.819 1.00 1.00 C HETATM 1295 C1M RCY A 110 57.118 -12.003 10.863 1.00 1.00 C HETATM 1296 C1P RCY A 110 56.056 -9.567 9.084 1.00 1.00 C HETATM 1297 C1Q RCY A 110 56.919 -10.832 7.271 1.00 1.00 C HETATM 1298 N1R RCY A 110 57.027 -10.709 8.786 1.00 1.00 N HETATM 1299 C1S RCY A 110 56.339 -9.528 6.755 1.00 1.00 C HETATM 1300 C1U RCY A 110 57.889 -11.525 9.751 1.00 1.00 C HETATM 1301 C1V RCY A 110 57.358 -13.605 8.409 1.00 1.00 C HETATM 1302 N1V RCY A 110 58.926 -13.532 10.360 1.00 1.00 N HETATM 1303 C1W RCY A 110 57.882 -13.208 11.426 1.00 1.00 C HETATM 1304 C1X RCY A 110 58.448 -12.797 9.116 1.00 1.00 C HETATM 1305 C1Y RCY A 110 56.938 -14.396 11.631 1.00 1.00 C HETATM 1306 C1Z RCY A 110 58.593 -12.853 12.732 1.00 1.00 C HETATM 0 H1ZB RCY A 110 59.303 -12.046 12.552 1.00 1.00 H new HETATM 0 H1ZA RCY A 110 57.858 -12.532 13.471 1.00 1.00 H new HETATM 0 H1YB RCY A 110 56.151 -14.118 12.332 1.00 1.00 H new HETATM 0 H1YA RCY A 110 56.492 -14.675 10.676 1.00 1.00 H new HETATM 0 H1VB RCY A 110 56.986 -13.042 7.553 1.00 1.00 H new HETATM 0 H1VA RCY A 110 57.772 -14.554 8.067 1.00 1.00 H new HETATM 0 H1MA RCY A 110 57.003 -11.227 11.620 1.00 1.00 H new HETATM 0 H1LA RCY A 110 54.357 -9.604 7.693 1.00 1.00 H new HETATM 0 H1CB RCY A 110 59.304 -11.831 7.391 1.00 1.00 H new HETATM 0 H1CA RCY A 110 60.426 -12.021 8.760 1.00 1.00 H new HETATM 0 H1Z RCY A 110 59.125 -13.728 13.106 1.00 1.00 H new HETATM 0 H1Y RCY A 110 57.498 -15.241 12.031 1.00 1.00 H new HETATM 0 H1V RCY A 110 56.539 -13.795 9.102 1.00 1.00 H new HETATM 0 H1U RCY A 110 58.685 -10.840 10.045 1.00 1.00 H new HETATM 0 H1S RCY A 110 57.114 -8.772 6.629 1.00 1.00 H new HETATM 0 H1M RCY A 110 56.115 -12.291 10.547 1.00 1.00 H new HETATM 0 H1L RCY A 110 55.128 -8.035 7.813 1.00 1.00 H new HETATM 0 H1C RCY A 110 59.997 -13.429 7.758 1.00 1.00 H new HETATM 1309 C1C RCY A 121 59.719 2.839 0.503 1.00 1.00 C HETATM 1310 O1G RCY A 121 59.351 5.364 0.093 1.00 1.00 O HETATM 1311 O1H RCY A 121 63.880 5.681 1.393 1.00 1.00 O HETATM 1312 O1J RCY A 121 58.847 4.051 -2.113 1.00 1.00 O HETATM 1313 C1L RCY A 121 60.604 7.000 1.411 1.00 1.00 C HETATM 1314 C1M RCY A 121 62.632 3.899 -1.518 1.00 1.00 C HETATM 1315 C1P RCY A 121 60.415 5.709 0.604 1.00 1.00 C HETATM 1316 C1Q RCY A 121 62.650 5.718 1.400 1.00 1.00 C HETATM 1317 N1R RCY A 121 61.712 4.907 0.515 1.00 1.00 N HETATM 1318 C1S RCY A 121 61.785 6.586 2.296 1.00 1.00 C HETATM 1319 C1U RCY A 121 62.004 3.619 -0.258 1.00 1.00 C HETATM 1320 C1V RCY A 121 61.052 1.447 -1.145 1.00 1.00 C HETATM 1321 N1V RCY A 121 60.231 3.726 -1.783 1.00 1.00 N HETATM 1322 C1W RCY A 121 61.496 4.182 -2.508 1.00 1.00 C HETATM 1323 C1X RCY A 121 60.736 2.857 -0.640 1.00 1.00 C HETATM 1324 C1Y RCY A 121 61.693 3.379 -3.797 1.00 1.00 C HETATM 1325 C1Z RCY A 121 61.385 5.675 -2.815 1.00 1.00 C HETATM 0 H1ZB RCY A 121 61.186 6.222 -1.894 1.00 1.00 H new HETATM 0 H1ZA RCY A 121 62.320 6.027 -3.251 1.00 1.00 H new HETATM 0 H1YB RCY A 121 62.641 3.657 -4.258 1.00 1.00 H new HETATM 0 H1YA RCY A 121 61.702 2.314 -3.565 1.00 1.00 H new HETATM 0 H1VB RCY A 121 61.465 0.853 -0.330 1.00 1.00 H new HETATM 0 H1VA RCY A 121 60.138 0.978 -1.509 1.00 1.00 H new HETATM 0 H1MA RCY A 121 63.301 4.756 -1.438 1.00 1.00 H new HETATM 0 H1LA RCY A 121 60.837 7.857 0.779 1.00 1.00 H new HETATM 0 H1CB RCY A 121 60.160 2.355 1.375 1.00 1.00 H new HETATM 0 H1CA RCY A 121 59.440 3.861 0.758 1.00 1.00 H new HETATM 0 H1Z RCY A 121 60.570 5.842 -3.520 1.00 1.00 H new HETATM 0 H1Y RCY A 121 60.877 3.593 -4.487 1.00 1.00 H new HETATM 0 H1V RCY A 121 61.778 1.505 -1.956 1.00 1.00 H new HETATM 0 H1U RCY A 121 62.634 3.038 0.415 1.00 1.00 H new HETATM 0 H1S RCY A 121 61.448 6.036 3.175 1.00 1.00 H new HETATM 0 H1M RCY A 121 63.235 3.054 -1.849 1.00 1.00 H new HETATM 0 H1L RCY A 121 59.720 7.263 1.991 1.00 1.00 H new HETATM 0 H1C RCY A 121 58.832 2.288 0.192 1.00 1.00 H new HETATM 1328 C1C RCY A 130 79.400 15.083 -0.265 1.00 1.00 C HETATM 1329 O1G RCY A 130 83.135 17.751 -1.950 1.00 1.00 O HETATM 1330 O1H RCY A 130 82.026 13.611 0.033 1.00 1.00 O HETATM 1331 O1J RCY A 130 78.954 18.059 -0.374 1.00 1.00 O HETATM 1332 C1L RCY A 130 84.127 16.444 -0.135 1.00 1.00 C HETATM 1333 C1M RCY A 130 80.910 16.551 -3.308 1.00 1.00 C HETATM 1334 C1P RCY A 130 83.095 16.757 -1.226 1.00 1.00 C HETATM 1335 C1Q RCY A 130 82.379 14.777 -0.132 1.00 1.00 C HETATM 1336 N1R RCY A 130 82.011 15.683 -1.300 1.00 1.00 N HETATM 1337 C1S RCY A 130 83.269 15.583 0.798 1.00 1.00 C HETATM 1338 C1U RCY A 130 80.851 15.543 -2.288 1.00 1.00 C HETATM 1339 C1V RCY A 130 78.342 15.330 -2.555 1.00 1.00 C HETATM 1340 N1V RCY A 130 79.499 17.272 -1.477 1.00 1.00 N HETATM 1341 C1W RCY A 130 80.207 17.785 -2.729 1.00 1.00 C HETATM 1342 C1X RCY A 130 79.487 15.758 -1.635 1.00 1.00 C HETATM 1343 C1Y RCY A 130 79.191 18.344 -3.729 1.00 1.00 C HETATM 1344 C1Z RCY A 130 81.216 18.861 -2.328 1.00 1.00 C HETATM 0 H1ZB RCY A 130 81.893 18.462 -1.573 1.00 1.00 H new HETATM 0 H1ZA RCY A 130 81.789 19.167 -3.203 1.00 1.00 H new HETATM 0 H1YB RCY A 130 79.704 18.628 -4.648 1.00 1.00 H new HETATM 0 H1YA RCY A 130 78.443 17.583 -3.951 1.00 1.00 H new HETATM 0 H1VB RCY A 130 78.378 14.251 -2.703 1.00 1.00 H new HETATM 0 H1MA RCY A 130 81.943 16.779 -3.571 1.00 1.00 H new HETATM 0 H1LA RCY A 130 84.993 15.906 -0.521 1.00 1.00 H new HETATM 0 H1CA RCY A 130 80.163 15.497 0.394 1.00 1.00 H new HETATM 0 H1Z RCY A 130 80.687 19.723 -1.921 1.00 1.00 H new HETATM 0 H1Y RCY A 130 78.702 19.219 -3.301 1.00 1.00 H new HETATM 0 H1U RCY A 130 80.953 14.531 -2.680 1.00 1.00 H new HETATM 0 H1S RCY A 130 82.678 16.200 1.475 1.00 1.00 H new HETATM 0 H1M RCY A 130 80.416 16.213 -4.219 1.00 1.00 H new HETATM 0 H1L RCY A 130 84.503 17.343 0.354 1.00 1.00 H new HETATM 1347 C1C RCY A 138 82.569 4.029 -2.224 1.00 1.00 C HETATM 1348 O1G RCY A 138 84.838 3.160 -0.496 1.00 1.00 O HETATM 1349 O1H RCY A 138 83.284 -1.259 -1.096 1.00 1.00 O HETATM 1350 O1J RCY A 138 80.808 3.691 -4.644 1.00 1.00 O HETATM 1351 C1L RCY A 138 85.056 1.114 0.828 1.00 1.00 C HETATM 1352 C1M RCY A 138 82.401 0.484 -3.272 1.00 1.00 C HETATM 1353 C1P RCY A 138 84.564 1.970 -0.346 1.00 1.00 C HETATM 1354 C1Q RCY A 138 83.593 -0.180 -0.592 1.00 1.00 C HETATM 1355 N1R RCY A 138 83.692 1.162 -1.305 1.00 1.00 N HETATM 1356 C1S RCY A 138 83.946 0.058 0.865 1.00 1.00 C HETATM 1357 C1U RCY A 138 83.073 1.583 -2.639 1.00 1.00 C HETATM 1358 C1V RCY A 138 80.961 2.246 -1.409 1.00 1.00 C HETATM 1359 N1V RCY A 138 81.344 2.582 -3.861 1.00 1.00 N HETATM 1360 C1W RCY A 138 81.391 1.104 -4.246 1.00 1.00 C HETATM 1361 C1X RCY A 138 81.981 2.640 -2.479 1.00 1.00 C HETATM 1362 C1Y RCY A 138 80.012 0.462 -4.073 1.00 1.00 C HETATM 1363 C1Z RCY A 138 81.866 0.979 -5.693 1.00 1.00 C HETATM 0 H1ZB RCY A 138 82.820 1.494 -5.809 1.00 1.00 H new HETATM 0 H1ZA RCY A 138 81.989 -0.074 -5.946 1.00 1.00 H new HETATM 0 H1YA RCY A 138 79.662 0.621 -3.053 1.00 1.00 H new HETATM 0 H1VB RCY A 138 81.444 2.237 -0.432 1.00 1.00 H new HETATM 0 H1VA RCY A 138 80.143 2.966 -1.403 1.00 1.00 H new HETATM 0 H1LA RCY A 138 86.039 0.680 0.645 1.00 1.00 H new HETATM 0 H1CB RCY A 138 83.164 4.010 -1.311 1.00 1.00 H new HETATM 0 H1CA RCY A 138 83.202 4.316 -3.063 1.00 1.00 H new HETATM 0 H1Z RCY A 138 81.128 1.428 -6.358 1.00 1.00 H new HETATM 0 H1Y RCY A 138 79.309 0.915 -4.772 1.00 1.00 H new HETATM 0 H1V RCY A 138 80.568 1.253 -1.629 1.00 1.00 H new HETATM 0 H1L RCY A 138 85.125 1.680 1.757 1.00 1.00 H new HETATM 0 H1C RCY A 138 81.761 4.752 -2.116 1.00 1.00 H new HETATM 1366 C1C RCY A 150 79.280 -1.228 -1.523 1.00 1.00 C HETATM 1367 O1G RCY A 150 78.364 -3.092 -2.087 1.00 1.00 O HETATM 1368 O1H RCY A 150 82.375 -5.383 -1.106 1.00 1.00 O HETATM 1369 O1J RCY A 150 80.290 -1.258 1.314 1.00 1.00 O HETATM 1370 C1L RCY A 150 78.864 -5.410 -1.481 1.00 1.00 C HETATM 1371 C1M RCY A 150 82.768 -2.454 -1.357 1.00 1.00 C HETATM 1372 C1P RCY A 150 79.202 -3.953 -1.824 1.00 1.00 C HETATM 1373 C1Q RCY A 150 81.258 -5.102 -1.538 1.00 1.00 C HETATM 1374 N1R RCY A 150 80.709 -3.705 -1.799 1.00 1.00 N HETATM 1375 C1S RCY A 150 80.168 -6.090 -1.911 1.00 1.00 C HETATM 1376 C1U RCY A 150 81.479 -2.396 -1.985 1.00 1.00 C HETATM 1377 C1V RCY A 150 81.412 0.125 -1.753 1.00 1.00 C HETATM 1378 N1V RCY A 150 81.132 -1.487 0.143 1.00 1.00 N HETATM 1379 C1W RCY A 150 82.547 -2.061 0.109 1.00 1.00 C HETATM 1380 C1X RCY A 150 80.796 -1.205 -1.315 1.00 1.00 C HETATM 1381 C1Y RCY A 150 83.566 -1.003 0.542 1.00 1.00 C HETATM 1382 C1Z RCY A 150 82.614 -3.282 1.027 1.00 1.00 C HETATM 0 H1ZB RCY A 150 81.842 -3.996 0.739 1.00 1.00 H new HETATM 0 H1ZA RCY A 150 83.594 -3.751 0.938 1.00 1.00 H new HETATM 0 H1VB RCY A 150 81.211 0.288 -2.812 1.00 1.00 H new HETATM 0 H1VA RCY A 150 80.976 0.937 -1.171 1.00 1.00 H new HETATM 0 H1MA RCY A 150 83.193 -3.455 -1.432 1.00 1.00 H new HETATM 0 H1LA RCY A 150 78.650 -5.550 -0.422 1.00 1.00 H new HETATM 0 H1CB RCY A 150 79.059 -1.193 -2.590 1.00 1.00 H new HETATM 0 H1CA RCY A 150 78.868 -2.143 -1.096 1.00 1.00 H new HETATM 0 H1Z RCY A 150 82.454 -2.970 2.059 1.00 1.00 H new HETATM 0 H1V RCY A 150 82.489 0.099 -1.588 1.00 1.00 H new HETATM 0 H1U RCY A 150 81.535 -2.270 -3.066 1.00 1.00 H new HETATM 0 H1S RCY A 150 80.172 -6.299 -2.981 1.00 1.00 H new HETATM 0 H1L RCY A 150 77.999 -5.779 -2.033 1.00 1.00 H new HETATM 0 H1C RCY A 150 78.832 -0.365 -1.031 1.00 1.00 H new HETATM 1385 C1C RCY A 160 77.982 2.321 3.825 1.00 1.00 C HETATM 1386 O1G RCY A 160 76.569 3.565 8.273 1.00 1.00 O HETATM 1387 O1H RCY A 160 76.805 -0.498 5.878 1.00 1.00 O HETATM 1388 O1J RCY A 160 76.680 4.558 2.286 1.00 1.00 O HETATM 1389 C1L RCY A 160 77.207 1.287 8.898 1.00 1.00 C HETATM 1390 C1M RCY A 160 75.013 3.621 5.610 1.00 1.00 C HETATM 1391 C1P RCY A 160 76.701 2.384 7.953 1.00 1.00 C HETATM 1392 C1Q RCY A 160 76.609 0.335 6.761 1.00 1.00 C HETATM 1393 N1R RCY A 160 76.380 1.829 6.567 1.00 1.00 N HETATM 1394 C1S RCY A 160 76.550 0.062 8.253 1.00 1.00 C HETATM 1395 C1U RCY A 160 75.941 2.571 5.303 1.00 1.00 C HETATM 1396 C1V RCY A 160 77.907 4.142 5.587 1.00 1.00 C HETATM 1397 N1V RCY A 160 76.319 4.186 3.651 1.00 1.00 N HETATM 1398 C1W RCY A 160 75.079 4.607 4.437 1.00 1.00 C HETATM 1399 C1X RCY A 160 77.096 3.292 4.608 1.00 1.00 C HETATM 1400 C1Y RCY A 160 75.231 6.043 4.948 1.00 1.00 C HETATM 1401 C1Z RCY A 160 73.850 4.483 3.537 1.00 1.00 C HETATM 0 H1ZB RCY A 160 73.793 3.471 3.136 1.00 1.00 H new HETATM 0 H1ZA RCY A 160 72.952 4.694 4.117 1.00 1.00 H new HETATM 0 H1YB RCY A 160 74.377 6.298 5.576 1.00 1.00 H new HETATM 0 H1YA RCY A 160 76.148 6.127 5.531 1.00 1.00 H new HETATM 0 H1VB RCY A 160 78.413 3.492 6.300 1.00 1.00 H new HETATM 0 H1VA RCY A 160 78.647 4.724 5.037 1.00 1.00 H new HETATM 0 H1MA RCY A 160 74.004 3.226 5.730 1.00 1.00 H new HETATM 0 H1LA RCY A 160 78.295 1.218 8.913 1.00 1.00 H new HETATM 0 H1CB RCY A 160 78.401 1.581 4.506 1.00 1.00 H new HETATM 0 H1CA RCY A 160 77.386 1.817 3.064 1.00 1.00 H new HETATM 0 H1Z RCY A 160 73.927 5.195 2.715 1.00 1.00 H new HETATM 0 H1Y RCY A 160 75.276 6.728 4.101 1.00 1.00 H new HETATM 0 H1V RCY A 160 77.239 4.817 6.122 1.00 1.00 H new HETATM 0 H1U RCY A 160 75.513 1.794 4.670 1.00 1.00 H new HETATM 0 H1S RCY A 160 75.522 -0.061 8.593 1.00 1.00 H new HETATM 0 H1M RCY A 160 75.277 4.112 6.547 1.00 1.00 H new HETATM 0 H1L RCY A 160 76.883 1.441 9.927 1.00 1.00 H new HETATM 0 H1C RCY A 160 78.791 2.872 3.346 1.00 1.00 H new HETATM 1404 C1C RCY A 168 78.357 2.917 -1.477 1.00 1.00 C HETATM 1405 O1G RCY A 168 78.292 4.041 2.461 1.00 1.00 O HETATM 1406 O1H RCY A 168 74.068 3.710 0.375 1.00 1.00 O HETATM 1407 O1J RCY A 168 77.975 0.124 -2.538 1.00 1.00 O HETATM 1408 C1L RCY A 168 76.276 5.426 2.531 1.00 1.00 C HETATM 1409 C1M RCY A 168 75.868 1.052 0.529 1.00 1.00 C HETATM 1410 C1P RCY A 168 77.148 4.254 2.063 1.00 1.00 C HETATM 1411 C1Q RCY A 168 75.119 4.153 0.838 1.00 1.00 C HETATM 1412 N1R RCY A 168 76.418 3.383 1.042 1.00 1.00 N HETATM 1413 C1S RCY A 168 75.360 5.574 1.312 1.00 1.00 C HETATM 1414 C1U RCY A 168 76.865 2.075 0.387 1.00 1.00 C HETATM 1415 C1V RCY A 168 75.842 2.858 -1.792 1.00 1.00 C HETATM 1416 N1V RCY A 168 77.134 0.731 -1.510 1.00 1.00 N HETATM 1417 C1W RCY A 168 76.142 0.032 -0.583 1.00 1.00 C HETATM 1418 C1X RCY A 168 77.051 2.201 -1.124 1.00 1.00 C HETATM 1419 C1Y RCY A 168 74.851 -0.303 -1.336 1.00 1.00 C HETATM 1420 C1Z RCY A 168 76.786 -1.237 -0.026 1.00 1.00 C HETATM 0 H1ZB RCY A 168 77.732 -0.985 0.453 1.00 1.00 H new HETATM 0 H1ZA RCY A 168 76.119 -1.693 0.705 1.00 1.00 H new HETATM 0 H1YB RCY A 168 74.124 -0.724 -0.642 1.00 1.00 H new HETATM 0 H1YA RCY A 168 74.444 0.605 -1.782 1.00 1.00 H new HETATM 0 H1VB RCY A 168 75.763 3.894 -1.463 1.00 1.00 H new HETATM 0 H1VA RCY A 168 75.965 2.830 -2.875 1.00 1.00 H new HETATM 0 H1MA RCY A 168 75.928 0.583 1.511 1.00 1.00 H new HETATM 0 H1CB RCY A 168 78.350 3.919 -1.048 1.00 1.00 H new HETATM 0 H1CA RCY A 168 79.200 2.356 -1.074 1.00 1.00 H new HETATM 0 H1Z RCY A 168 76.967 -1.940 -0.839 1.00 1.00 H new HETATM 0 H1Y RCY A 168 75.065 -1.028 -2.121 1.00 1.00 H new HETATM 0 H1V RCY A 168 74.936 2.319 -1.515 1.00 1.00 H new HETATM 0 H1U RCY A 168 77.802 1.831 0.888 1.00 1.00 H new HETATM 0 H1S RCY A 168 75.829 6.177 0.535 1.00 1.00 H new HETATM 0 H1M RCY A 168 74.865 1.470 0.436 1.00 1.00 H new HETATM 0 H1L RCY A 168 76.858 6.327 2.728 1.00 1.00 H new HETATM 0 H1C RCY A 168 78.452 2.987 -2.561 1.00 1.00 H new HETATM 1423 C1C RCY A 173 71.799 4.221 -1.953 1.00 1.00 C HETATM 1424 O1G RCY A 173 73.032 2.101 -5.363 1.00 1.00 O HETATM 1425 O1H RCY A 173 69.871 5.552 -4.729 1.00 1.00 O HETATM 1426 O1J RCY A 173 69.227 5.784 -2.036 1.00 1.00 O HETATM 1427 C1L RCY A 173 72.653 4.250 -6.470 1.00 1.00 C HETATM 1428 C1M RCY A 173 69.141 2.329 -3.699 1.00 1.00 C HETATM 1429 C1P RCY A 173 72.357 3.124 -5.472 1.00 1.00 C HETATM 1430 C1Q RCY A 173 70.628 4.733 -5.248 1.00 1.00 C HETATM 1431 N1R RCY A 173 71.120 3.430 -4.629 1.00 1.00 N HETATM 1432 C1S RCY A 173 71.246 4.835 -6.630 1.00 1.00 C HETATM 1433 C1U RCY A 173 70.522 2.641 -3.463 1.00 1.00 C HETATM 1434 C1V RCY A 173 70.181 2.543 -0.956 1.00 1.00 C HETATM 1435 N1V RCY A 173 69.347 4.385 -2.435 1.00 1.00 N HETATM 1436 C1W RCY A 173 68.341 3.549 -3.223 1.00 1.00 C HETATM 1437 C1X RCY A 173 70.503 3.434 -2.158 1.00 1.00 C HETATM 1438 C1Y RCY A 173 67.182 3.114 -2.322 1.00 1.00 C HETATM 1439 C1Z RCY A 173 67.825 4.370 -4.405 1.00 1.00 C HETATM 0 H1ZB RCY A 173 68.668 4.719 -5.001 1.00 1.00 H new HETATM 0 H1ZA RCY A 173 67.176 3.750 -5.023 1.00 1.00 H new HETATM 0 H1YB RCY A 173 66.518 2.451 -2.877 1.00 1.00 H new HETATM 0 H1YA RCY A 173 67.575 2.588 -1.452 1.00 1.00 H new HETATM 0 H1VB RCY A 173 70.992 1.831 -0.803 1.00 1.00 H new HETATM 0 H1VA RCY A 173 70.068 3.161 -0.065 1.00 1.00 H new HETATM 0 H1MA RCY A 173 68.961 2.133 -4.756 1.00 1.00 H new HETATM 0 H1LA RCY A 173 73.365 4.977 -6.080 1.00 1.00 H new HETATM 0 H1CB RCY A 173 72.642 3.531 -1.922 1.00 1.00 H new HETATM 0 H1CA RCY A 173 71.933 4.922 -2.777 1.00 1.00 H new HETATM 0 H1Z RCY A 173 67.262 5.227 -4.035 1.00 1.00 H new HETATM 0 H1Y RCY A 173 66.626 3.993 -1.994 1.00 1.00 H new HETATM 0 H1V RCY A 173 69.253 2.002 -1.142 1.00 1.00 H new HETATM 0 H1U RCY A 173 71.154 1.756 -3.385 1.00 1.00 H new HETATM 0 H1M RCY A 173 68.845 1.432 -3.154 1.00 1.00 H new HETATM 0 H1C RCY A 173 71.746 4.772 -1.014 1.00 1.00 H new HETATM 1442 C1C RCY A 176 69.436 2.048 -6.891 1.00 1.00 C HETATM 1443 O1G RCY A 176 71.667 3.624 -6.768 1.00 1.00 O HETATM 1444 O1H RCY A 176 74.039 0.616 -9.530 1.00 1.00 O HETATM 1445 O1J RCY A 176 68.302 -0.606 -6.031 1.00 1.00 O HETATM 1446 C1L RCY A 176 73.767 3.793 -8.012 1.00 1.00 C HETATM 1447 C1M RCY A 176 71.871 -0.686 -7.433 1.00 1.00 C HETATM 1448 C1P RCY A 176 72.511 3.088 -7.484 1.00 1.00 C HETATM 1449 C1Q RCY A 176 73.763 1.477 -8.696 1.00 1.00 C HETATM 1450 N1R RCY A 176 72.439 1.637 -7.959 1.00 1.00 N HETATM 1451 C1S RCY A 176 74.684 2.581 -8.210 1.00 1.00 C HETATM 1452 C1U RCY A 176 71.330 0.604 -7.753 1.00 1.00 C HETATM 1453 C1V RCY A 176 71.241 1.242 -5.304 1.00 1.00 C HETATM 1454 N1V RCY A 176 69.698 -0.395 -6.405 1.00 1.00 N HETATM 1455 C1W RCY A 176 70.749 -1.456 -6.724 1.00 1.00 C HETATM 1456 C1X RCY A 176 70.429 0.931 -6.563 1.00 1.00 C HETATM 1457 C1Y RCY A 176 71.270 -2.099 -5.436 1.00 1.00 C HETATM 1458 C1Z RCY A 176 70.133 -2.511 -7.643 1.00 1.00 C HETATM 0 H1YA RCY A 176 71.644 -1.323 -4.767 1.00 1.00 H new HETATM 0 H1VB RCY A 176 71.802 2.165 -5.452 1.00 1.00 H new HETATM 0 H1VA RCY A 176 70.567 1.359 -4.456 1.00 1.00 H new HETATM 0 H1LA RCY A 176 73.583 4.333 -8.941 1.00 1.00 H new HETATM 0 H1CB RCY A 176 69.982 2.951 -7.165 1.00 1.00 H new HETATM 0 H1CA RCY A 176 68.804 1.740 -7.724 1.00 1.00 H new HETATM 0 H1Y RCY A 176 70.461 -2.641 -4.947 1.00 1.00 H new HETATM 0 H1V RCY A 176 71.934 0.424 -5.107 1.00 1.00 H new HETATM 0 H1S RCY A 176 75.179 2.303 -7.280 1.00 1.00 H new HETATM 0 H1M RCY A 176 72.746 -0.593 -6.790 1.00 1.00 H new HETATM 0 H1L RCY A 176 74.173 4.512 -7.300 1.00 1.00 H new HETATM 0 H1C RCY A 176 68.814 2.250 -6.019 1.00 1.00 H new HETATM 1461 C1C RCY A 187 74.935 -5.313 -5.162 1.00 1.00 C HETATM 1462 O1G RCY A 187 71.865 -5.490 -4.382 1.00 1.00 O HETATM 1463 O1H RCY A 187 72.750 -2.020 -7.461 1.00 1.00 O HETATM 1464 O1J RCY A 187 76.200 -3.784 -7.428 1.00 1.00 O HETATM 1465 C1L RCY A 187 70.822 -4.815 -6.490 1.00 1.00 C HETATM 1466 C1M RCY A 187 74.265 -1.685 -4.866 1.00 1.00 C HETATM 1467 C1P RCY A 187 71.815 -4.703 -5.327 1.00 1.00 C HETATM 1468 C1Q RCY A 187 72.172 -2.828 -6.735 1.00 1.00 C HETATM 1469 N1R RCY A 187 72.736 -3.494 -5.487 1.00 1.00 N HETATM 1470 C1S RCY A 187 70.757 -3.345 -6.921 1.00 1.00 C HETATM 1471 C1U RCY A 187 73.920 -3.057 -4.623 1.00 1.00 C HETATM 1472 C1V RCY A 187 76.285 -3.586 -3.888 1.00 1.00 C HETATM 1473 N1V RCY A 187 75.593 -3.158 -6.257 1.00 1.00 N HETATM 1474 C1W RCY A 187 75.209 -1.691 -6.076 1.00 1.00 C HETATM 1475 C1X RCY A 187 75.203 -3.822 -4.944 1.00 1.00 C HETATM 1476 C1Y RCY A 187 76.452 -0.842 -5.792 1.00 1.00 C HETATM 1477 C1Z RCY A 187 74.498 -1.200 -7.337 1.00 1.00 C HETATM 0 H1YB RCY A 187 76.151 0.185 -5.583 1.00 1.00 H new HETATM 0 H1YA RCY A 187 76.980 -1.248 -4.929 1.00 1.00 H new HETATM 0 H1VB RCY A 187 75.968 -4.018 -2.939 1.00 1.00 H new HETATM 0 H1VA RCY A 187 77.215 -4.057 -4.208 1.00 1.00 H new HETATM 0 H1MA RCY A 187 73.375 -1.090 -5.069 1.00 1.00 H new HETATM 0 H1LA RCY A 187 71.182 -5.468 -7.285 1.00 1.00 H new HETATM 0 H1CB RCY A 187 74.499 -5.740 -4.259 1.00 1.00 H new HETATM 0 H1CA RCY A 187 74.243 -5.440 -5.995 1.00 1.00 H new HETATM 0 H1Z RCY A 187 75.193 -1.216 -8.176 1.00 1.00 H new HETATM 0 H1Y RCY A 187 77.110 -0.858 -6.661 1.00 1.00 H new HETATM 0 H1V RCY A 187 76.445 -2.515 -3.764 1.00 1.00 H new HETATM 0 H1U RCY A 187 73.589 -3.240 -3.601 1.00 1.00 H new HETATM 0 H1M RCY A 187 74.751 -1.245 -3.995 1.00 1.00 H new HETATM 0 H1L RCY A 187 69.852 -5.201 -6.175 1.00 1.00 H new HETATM 0 H1C RCY A 187 75.872 -5.822 -5.388 1.00 1.00 H new