USER MOD reduce.3.24.130724 H: found=0, std=0, add=787, rem=0, adj=15 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 73 CYS H : A 73 CYS N : A 173 RCY O1H :(H bumps) USER MOD NoAdj-H: A 74 ASN H : A 74 ASN N : A 187 RCY C1M :(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 RCYH1SA : A 130 RCY C1S : A 30 CYS SG :(H bumps) USER MOD NoAdj-H: A 138 RCYH1VB : A 138 RCY C1V : A 150 RCY C1C :(H bumps) USER MOD NoAdj-H: A 138 RCYH1SA : A 138 RCY C1S : A 38 CYS SG :(H bumps) USER MOD NoAdj-H: A 138 RCY H1V : A 138 RCY C1V : A 150 RCY C1C :(H bumps) USER MOD NoAdj-H: A 150 RCYH1SA : A 150 RCY C1S : A 50 CYS SG :(H bumps) USER MOD NoAdj-H: A 150 RCYH1CB : A 150 RCY C1C : A 138 RCY C1V :(H bumps) USER MOD NoAdj-H: A 160 RCYH1SA : A 160 RCY C1S : A 60 CYS SG :(H bumps) USER MOD NoAdj-H: A 168 RCYH1SA : A 168 RCY C1S : A 68 CYS SG :(H bumps) USER MOD NoAdj-H: A 168 RCYH1CA : A 168 RCY C1C : A 160 RCY C1Q :(H bumps) USER MOD NoAdj-H: A 168 RCY H1C : A 168 RCY C1C : A 160 RCY C1Q :(H bumps) USER MOD NoAdj-H: A 173 RCYH1ZA : A 173 RCY C1Z : A 71 GLU C :(H bumps) USER MOD NoAdj-H: A 173 RCYH1SA : A 173 RCY C1S : A 187 RCY N1V :(H bumps) USER MOD NoAdj-H: A 173 RCYH1MA : A 173 RCY C1M : A 71 GLU O :(H bumps) USER MOD NoAdj-H: A 173 RCYH1CB : A 173 RCY C1C : A 87 CYS SG :(H bumps) USER MOD NoAdj-H: A 173 RCY H1Z : A 173 RCY C1Z : A 71 GLU CA :(H bumps) USER MOD NoAdj-H: A 173 RCY H1S : A 173 RCY C1S : A 187 RCY N1V :(H bumps) USER MOD NoAdj-H: A 173 RCY H1L : A 173 RCY C1L : A 187 RCY C1X :(H bumps) USER MOD NoAdj-H: A 173 RCY H1C : A 173 RCY C1C : A 87 CYS SG :(H bumps) USER MOD NoAdj-H: A 176 RCYH1ZA : A 176 RCY C1Z : A 187 RCY C1U :(H bumps) USER MOD NoAdj-H: A 176 RCYH1YB : A 176 RCY C1Y : A 187 RCY C1P :(H bumps) USER MOD NoAdj-H: A 176 RCYH1YA : A 176 RCY C1Y : A 187 RCY C1P :(H bumps) USER MOD NoAdj-H: A 176 RCYH1VA : A 176 RCY C1V : A 87 CYS SG :(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 RCY H1Z : A 176 RCY C1Z : A 187 RCY C1U :(H bumps) USER MOD NoAdj-H: A 176 RCY H1Y : A 176 RCY C1Y : A 187 RCY N1R :(H bumps) USER MOD NoAdj-H: A 176 RCY H1V : A 176 RCY C1V : A 187 RCY C1L :(H bumps) USER MOD NoAdj-H: A 176 RCY H1S : A 176 RCY C1S : A 78 LEU CD2 :(H bumps) USER MOD NoAdj-H: A 176 RCY H1C : A 176 RCY C1C : A 87 CYS SG :(H bumps) USER MOD NoAdj-H: A 187 RCYH1ZB : A 187 RCY C1Z : A 74 ASN C :(H bumps) USER MOD NoAdj-H: A 187 RCYH1YA : A 187 RCY C1Y : A 73 CYS CA :(H bumps) USER MOD NoAdj-H: A 187 RCYH1VB : A 187 RCY C1V : A 173 RCY N1R :(H bumps) USER MOD NoAdj-H: A 187 RCYH1VA : A 187 RCY C1V : A 173 RCY C1S :(H bumps) USER MOD NoAdj-H: A 187 RCYH1SA : A 187 RCY C1S : A 87 CYS SG :(H bumps) USER MOD NoAdj-H: A 187 RCYH1MA : A 187 RCY C1M : A 74 ASN CB :(H bumps) USER MOD NoAdj-H: A 187 RCY H1Z : A 187 RCY C1Z : A 73 CYS O :(H bumps) USER MOD NoAdj-H: A 187 RCY H1Y : A 187 RCY C1Y : A 73 CYS CA :(H bumps) USER MOD NoAdj-H: A 187 RCY H1V : A 187 RCY C1V : A 173 RCY O1H :(H bumps) USER MOD NoAdj-H: A 187 RCY H1U : A 187 RCY C1U : A 176 RCY C1Z :(H bumps) USER MOD NoAdj-H: A 187 RCY H1S : A 187 RCY C1S : A 176 RCY C1V :(H bumps) USER MOD NoAdj-H: A 187 RCY H1M : A 187 RCY C1M : A 74 ASN N :(H bumps) USER MOD NoAdj-H: A 187 RCY H1L : A 187 RCY C1L : A 176 RCY C1V :(H bumps) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -159:sc= -0.0512 (180deg=-0.486) USER MOD Single : A 2 ASN :FLIP amide:sc= -0.16 F(o=-2!,f=-0.16) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= -0.59 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 173:sc= -0.0482 (180deg=-0.128) USER MOD Single : A 32 GLN : amide:sc= -1.84! C(o=-1.8!,f=-8.6!) USER MOD Single : A 34 GLN :FLIP amide:sc= -0.313 F(o=-0.97,f=-0.31) USER MOD Single : A 35 THR OG1 : rot -58:sc= -8.43! USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= -0.424 USER MOD Single : A 41 LYS NZ :NH3+ -159:sc= -0.198 (180deg=-0.973) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= -0.275! C(o=-0.28!,f=-3.5!) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 63:sc= 0.539 USER MOD Single : A 65 THR OG1 : rot 99:sc= -0.326! USER MOD Single : A 74 ASN : amide:sc= -10.2! C(o=-10!,f=-19!) USER MOD Single : A 75 HIS : no HD1:sc= -0.972 K(o=-0.97,f=-1.6!) USER MOD Single : A 79 HIS : no HE2:sc= -1.23 K(o=-1.2,f=-3.5) USER MOD Single : A 83 GLN :FLIP amide:sc=-0.000951 F(o=-1.4!,f=-0.00095) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 73.748 9.553 25.553 1.00 1.00 N ATOM 2 CA MET A 1 72.321 9.176 25.345 1.00 1.00 C ATOM 3 C MET A 1 72.033 9.078 23.846 1.00 1.00 C ATOM 4 O MET A 1 72.264 10.007 23.097 1.00 1.00 O ATOM 5 CB MET A 1 71.416 10.239 25.970 1.00 1.00 C ATOM 6 CG MET A 1 71.617 10.254 27.487 1.00 1.00 C ATOM 7 SD MET A 1 70.569 11.533 28.222 1.00 1.00 S ATOM 8 CE MET A 1 71.749 12.899 28.085 1.00 1.00 C ATOM 0 H1 MET A 1 74.043 9.281 26.513 1.00 1.00 H new ATOM 0 H2 MET A 1 74.342 9.061 24.856 1.00 1.00 H new ATOM 0 H3 MET A 1 73.856 10.581 25.436 1.00 1.00 H new ATOM 0 HA MET A 1 72.128 8.212 25.816 1.00 1.00 H new ATOM 0 HB2 MET A 1 71.647 11.219 25.552 1.00 1.00 H new ATOM 0 HB3 MET A 1 70.373 10.029 25.733 1.00 1.00 H new ATOM 0 HG2 MET A 1 71.368 9.279 27.907 1.00 1.00 H new ATOM 0 HG3 MET A 1 72.663 10.446 27.724 1.00 1.00 H new ATOM 0 HE1 MET A 1 71.302 13.808 28.488 1.00 1.00 H new ATOM 0 HE2 MET A 1 72.651 12.658 28.647 1.00 1.00 H new ATOM 0 HE3 MET A 1 72.005 13.055 27.037 1.00 1.00 H new ATOM 17 N ASN A 2 71.528 7.960 23.400 1.00 1.00 N ATOM 18 CA ASN A 2 71.225 7.805 21.950 1.00 1.00 C ATOM 19 C ASN A 2 70.348 6.568 21.741 1.00 1.00 C ATOM 20 O ASN A 2 70.767 5.451 21.971 1.00 1.00 O ATOM 21 CB ASN A 2 72.532 7.644 21.169 1.00 1.00 C ATOM 22 CG ASN A 2 73.455 6.676 21.911 1.00 1.00 C ATOM 23 OD1 ASN A 2 74.624 7.089 22.316 1.00 1.00 O flip ATOM 24 ND2 ASN A 2 73.108 5.531 22.124 1.00 1.00 N flip ATOM 0 H ASN A 2 71.312 7.148 23.978 1.00 1.00 H new ATOM 0 HA ASN A 2 70.696 8.689 21.593 1.00 1.00 H new ATOM 0 HB2 ASN A 2 72.325 7.269 20.167 1.00 1.00 H new ATOM 0 HB3 ASN A 2 73.020 8.612 21.053 1.00 1.00 H new ATOM 0 HD21 ASN A 2 72.194 5.208 21.807 1.00 1.00 H new ATOM 0 HD22 ASN A 2 73.731 4.893 22.619 1.00 1.00 H new ATOM 31 N LEU A 3 69.132 6.757 21.304 1.00 1.00 N ATOM 32 CA LEU A 3 68.229 5.591 21.079 1.00 1.00 C ATOM 33 C LEU A 3 68.412 5.077 19.647 1.00 1.00 C ATOM 34 O LEU A 3 68.360 5.830 18.696 1.00 1.00 O ATOM 35 CB LEU A 3 66.764 6.006 21.302 1.00 1.00 C ATOM 36 CG LEU A 3 66.627 7.520 21.130 1.00 1.00 C ATOM 37 CD1 LEU A 3 66.967 7.904 19.689 1.00 1.00 C ATOM 38 CD2 LEU A 3 65.188 7.939 21.442 1.00 1.00 C ATOM 0 H LEU A 3 68.725 7.668 21.093 1.00 1.00 H new ATOM 0 HA LEU A 3 68.480 4.800 21.785 1.00 1.00 H new ATOM 0 HB2 LEU A 3 66.117 5.489 20.593 1.00 1.00 H new ATOM 0 HB3 LEU A 3 66.440 5.713 22.301 1.00 1.00 H new ATOM 0 HG LEU A 3 67.311 8.026 21.811 1.00 1.00 H new ATOM 0 HD11 LEU A 3 66.869 8.983 19.567 1.00 1.00 H new ATOM 0 HD12 LEU A 3 67.991 7.605 19.465 1.00 1.00 H new ATOM 0 HD13 LEU A 3 66.284 7.398 19.007 1.00 1.00 H new ATOM 0 HD21 LEU A 3 65.089 9.018 21.320 1.00 1.00 H new ATOM 0 HD22 LEU A 3 64.505 7.432 20.760 1.00 1.00 H new ATOM 0 HD23 LEU A 3 64.944 7.666 22.469 1.00 1.00 H new ATOM 50 N GLU A 4 68.629 3.797 19.491 1.00 1.00 N ATOM 51 CA GLU A 4 68.818 3.225 18.124 1.00 1.00 C ATOM 52 C GLU A 4 67.890 2.014 17.947 1.00 1.00 C ATOM 53 O GLU A 4 67.947 1.076 18.717 1.00 1.00 O ATOM 54 CB GLU A 4 70.271 2.774 17.964 1.00 1.00 C ATOM 55 CG GLU A 4 70.544 2.440 16.496 1.00 1.00 C ATOM 56 CD GLU A 4 72.020 2.079 16.320 1.00 1.00 C ATOM 57 OE1 GLU A 4 72.848 2.960 16.479 1.00 1.00 O ATOM 58 OE2 GLU A 4 72.297 0.927 16.029 1.00 1.00 O ATOM 0 H GLU A 4 68.684 3.121 20.253 1.00 1.00 H new ATOM 0 HA GLU A 4 68.582 3.980 17.374 1.00 1.00 H new ATOM 0 HB2 GLU A 4 70.946 3.561 18.300 1.00 1.00 H new ATOM 0 HB3 GLU A 4 70.463 1.901 18.588 1.00 1.00 H new ATOM 0 HG2 GLU A 4 69.915 1.608 16.178 1.00 1.00 H new ATOM 0 HG3 GLU A 4 70.289 3.291 15.865 1.00 1.00 H new ATOM 65 N PRO A 5 67.043 2.021 16.943 1.00 1.00 N ATOM 66 CA PRO A 5 66.106 0.892 16.685 1.00 1.00 C ATOM 67 C PRO A 5 66.788 -0.475 16.855 1.00 1.00 C ATOM 68 O PRO A 5 67.570 -0.886 16.019 1.00 1.00 O ATOM 69 CB PRO A 5 65.689 1.106 15.230 1.00 1.00 C ATOM 70 CG PRO A 5 65.782 2.582 15.018 1.00 1.00 C ATOM 71 CD PRO A 5 66.885 3.096 15.949 1.00 1.00 C ATOM 0 HA PRO A 5 65.269 0.883 17.384 1.00 1.00 H new ATOM 0 HB2 PRO A 5 66.345 0.566 14.547 1.00 1.00 H new ATOM 0 HB3 PRO A 5 64.676 0.744 15.052 1.00 1.00 H new ATOM 0 HG2 PRO A 5 66.017 2.809 13.978 1.00 1.00 H new ATOM 0 HG3 PRO A 5 64.831 3.065 15.242 1.00 1.00 H new ATOM 0 HD2 PRO A 5 67.813 3.277 15.406 1.00 1.00 H new ATOM 0 HD3 PRO A 5 66.603 4.037 16.421 1.00 1.00 H new ATOM 79 N PRO A 6 66.504 -1.173 17.927 1.00 1.00 N ATOM 80 CA PRO A 6 67.112 -2.506 18.197 1.00 1.00 C ATOM 81 C PRO A 6 66.412 -3.631 17.428 1.00 1.00 C ATOM 82 O PRO A 6 65.206 -3.641 17.280 1.00 1.00 O ATOM 83 CB PRO A 6 66.924 -2.680 19.705 1.00 1.00 C ATOM 84 CG PRO A 6 65.694 -1.898 20.035 1.00 1.00 C ATOM 85 CD PRO A 6 65.579 -0.773 19.000 1.00 1.00 C ATOM 0 HA PRO A 6 68.153 -2.555 17.878 1.00 1.00 H new ATOM 0 HB2 PRO A 6 66.806 -3.731 19.969 1.00 1.00 H new ATOM 0 HB3 PRO A 6 67.788 -2.308 20.256 1.00 1.00 H new ATOM 0 HG2 PRO A 6 64.812 -2.538 20.007 1.00 1.00 H new ATOM 0 HG3 PRO A 6 65.758 -1.488 21.043 1.00 1.00 H new ATOM 0 HD2 PRO A 6 64.558 -0.675 18.630 1.00 1.00 H new ATOM 0 HD3 PRO A 6 65.857 0.191 19.427 1.00 1.00 H new ATOM 93 N LYS A 7 67.163 -4.580 16.939 1.00 1.00 N ATOM 94 CA LYS A 7 66.547 -5.705 16.180 1.00 1.00 C ATOM 95 C LYS A 7 65.450 -6.354 17.026 1.00 1.00 C ATOM 96 O LYS A 7 65.716 -7.170 17.887 1.00 1.00 O ATOM 97 CB LYS A 7 67.622 -6.744 15.848 1.00 1.00 C ATOM 98 CG LYS A 7 68.292 -7.224 17.137 1.00 1.00 C ATOM 99 CD LYS A 7 69.785 -7.444 16.886 1.00 1.00 C ATOM 100 CE LYS A 7 70.473 -6.094 16.679 1.00 1.00 C ATOM 101 NZ LYS A 7 71.829 -6.128 17.296 1.00 1.00 N ATOM 0 H LYS A 7 68.178 -4.625 17.033 1.00 1.00 H new ATOM 0 HA LYS A 7 66.112 -5.325 15.256 1.00 1.00 H new ATOM 0 HB2 LYS A 7 67.175 -7.588 15.323 1.00 1.00 H new ATOM 0 HB3 LYS A 7 68.366 -6.311 15.180 1.00 1.00 H new ATOM 0 HG2 LYS A 7 68.150 -6.488 17.929 1.00 1.00 H new ATOM 0 HG3 LYS A 7 67.829 -8.151 17.476 1.00 1.00 H new ATOM 0 HD2 LYS A 7 70.233 -7.967 17.731 1.00 1.00 H new ATOM 0 HD3 LYS A 7 69.928 -8.075 16.009 1.00 1.00 H new ATOM 0 HE2 LYS A 7 70.552 -5.873 15.614 1.00 1.00 H new ATOM 0 HE3 LYS A 7 69.878 -5.298 17.127 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 72.297 -5.210 17.156 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 71.742 -6.320 18.314 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 72.395 -6.877 16.849 1.00 1.00 H new ATOM 115 N ALA A 8 64.219 -5.997 16.788 1.00 1.00 N ATOM 116 CA ALA A 8 63.102 -6.590 17.575 1.00 1.00 C ATOM 117 C ALA A 8 61.769 -6.085 17.019 1.00 1.00 C ATOM 118 O ALA A 8 60.742 -6.175 17.661 1.00 1.00 O ATOM 119 CB ALA A 8 63.233 -6.174 19.042 1.00 1.00 C ATOM 0 H ALA A 8 63.938 -5.318 16.081 1.00 1.00 H new ATOM 0 HA ALA A 8 63.141 -7.677 17.502 1.00 1.00 H new ATOM 0 HB1 ALA A 8 62.415 -6.608 19.618 1.00 1.00 H new ATOM 0 HB2 ALA A 8 64.184 -6.530 19.438 1.00 1.00 H new ATOM 0 HB3 ALA A 8 63.193 -5.087 19.117 1.00 1.00 H new ATOM 125 N GLU A 9 61.780 -5.552 15.828 1.00 1.00 N ATOM 126 CA GLU A 9 60.517 -5.037 15.227 1.00 1.00 C ATOM 127 C GLU A 9 60.654 -5.010 13.703 1.00 1.00 C ATOM 128 O GLU A 9 61.530 -4.367 13.160 1.00 1.00 O ATOM 129 CB GLU A 9 60.248 -3.621 15.746 1.00 1.00 C ATOM 130 CG GLU A 9 61.428 -2.713 15.394 1.00 1.00 C ATOM 131 CD GLU A 9 61.429 -1.494 16.318 1.00 1.00 C ATOM 132 OE1 GLU A 9 61.285 -1.683 17.515 1.00 1.00 O ATOM 133 OE2 GLU A 9 61.573 -0.393 15.813 1.00 1.00 O ATOM 0 H GLU A 9 62.610 -5.451 15.244 1.00 1.00 H new ATOM 0 HA GLU A 9 59.687 -5.687 15.504 1.00 1.00 H new ATOM 0 HB2 GLU A 9 59.331 -3.230 15.306 1.00 1.00 H new ATOM 0 HB3 GLU A 9 60.100 -3.640 16.826 1.00 1.00 H new ATOM 0 HG2 GLU A 9 62.365 -3.261 15.496 1.00 1.00 H new ATOM 0 HG3 GLU A 9 61.357 -2.394 14.354 1.00 1.00 H new ATOM 140 N CYS A 10 59.796 -5.707 13.008 1.00 1.00 N ATOM 141 CA CYS A 10 59.880 -5.722 11.520 1.00 1.00 C ATOM 142 C CYS A 10 58.649 -6.426 10.946 1.00 1.00 C ATOM 143 O CYS A 10 58.745 -7.208 10.021 1.00 1.00 O ATOM 144 CB CYS A 10 61.143 -6.471 11.089 1.00 1.00 C ATOM 145 SG CYS A 10 61.255 -8.035 11.993 1.00 1.00 S ATOM 0 H CYS A 10 59.041 -6.266 13.406 1.00 1.00 H new ATOM 0 HA CYS A 10 59.919 -4.698 11.148 1.00 1.00 H new ATOM 0 HB2 CYS A 10 61.118 -6.660 10.016 1.00 1.00 H new ATOM 0 HB3 CYS A 10 62.025 -5.861 11.285 1.00 1.00 H new ATOM 150 N ARG A 11 57.493 -6.156 11.487 1.00 1.00 N ATOM 151 CA ARG A 11 56.259 -6.812 10.971 1.00 1.00 C ATOM 152 C ARG A 11 56.081 -6.473 9.490 1.00 1.00 C ATOM 153 O ARG A 11 55.158 -6.931 8.846 1.00 1.00 O ATOM 154 CB ARG A 11 55.046 -6.310 11.756 1.00 1.00 C ATOM 155 CG ARG A 11 55.319 -6.438 13.256 1.00 1.00 C ATOM 156 CD ARG A 11 54.142 -5.856 14.041 1.00 1.00 C ATOM 157 NE ARG A 11 54.232 -6.289 15.464 1.00 1.00 N ATOM 158 CZ ARG A 11 53.195 -6.174 16.248 1.00 1.00 C ATOM 159 NH1 ARG A 11 52.079 -5.680 15.785 1.00 1.00 N ATOM 160 NH2 ARG A 11 53.273 -6.553 17.494 1.00 1.00 N ATOM 0 H ARG A 11 57.350 -5.510 12.263 1.00 1.00 H new ATOM 0 HA ARG A 11 56.347 -7.892 11.089 1.00 1.00 H new ATOM 0 HB2 ARG A 11 54.839 -5.271 11.501 1.00 1.00 H new ATOM 0 HB3 ARG A 11 54.161 -6.887 11.486 1.00 1.00 H new ATOM 0 HG2 ARG A 11 55.465 -7.485 13.522 1.00 1.00 H new ATOM 0 HG3 ARG A 11 56.238 -5.912 13.515 1.00 1.00 H new ATOM 0 HD2 ARG A 11 54.152 -4.768 13.979 1.00 1.00 H new ATOM 0 HD3 ARG A 11 53.200 -6.191 13.607 1.00 1.00 H new ATOM 0 HE ARG A 11 55.104 -6.675 15.825 1.00 1.00 H new ATOM 0 HH11 ARG A 11 52.018 -5.384 14.811 1.00 1.00 H new ATOM 0 HH12 ARG A 11 51.268 -5.590 16.397 1.00 1.00 H new ATOM 0 HH21 ARG A 11 54.145 -6.939 17.856 1.00 1.00 H new ATOM 0 HH22 ARG A 11 52.462 -6.463 18.106 1.00 1.00 H new ATOM 174 N SER A 12 56.957 -5.672 8.946 1.00 1.00 N ATOM 175 CA SER A 12 56.839 -5.300 7.507 1.00 1.00 C ATOM 176 C SER A 12 55.654 -4.349 7.322 1.00 1.00 C ATOM 177 O SER A 12 55.797 -3.256 6.810 1.00 1.00 O ATOM 178 CB SER A 12 56.624 -6.563 6.666 1.00 1.00 C ATOM 179 OG SER A 12 57.259 -7.663 7.304 1.00 1.00 O ATOM 0 H SER A 12 57.750 -5.259 9.437 1.00 1.00 H new ATOM 0 HA SER A 12 57.754 -4.804 7.183 1.00 1.00 H new ATOM 0 HB2 SER A 12 55.558 -6.760 6.550 1.00 1.00 H new ATOM 0 HB3 SER A 12 57.033 -6.422 5.665 1.00 1.00 H new ATOM 0 HG SER A 12 57.123 -8.474 6.771 1.00 1.00 H new ATOM 185 N ALA A 13 54.484 -4.755 7.735 1.00 1.00 N ATOM 186 CA ALA A 13 53.292 -3.873 7.582 1.00 1.00 C ATOM 187 C ALA A 13 53.233 -3.343 6.148 1.00 1.00 C ATOM 188 O ALA A 13 53.508 -4.053 5.201 1.00 1.00 O ATOM 189 CB ALA A 13 53.397 -2.699 8.557 1.00 1.00 C ATOM 0 H ALA A 13 54.302 -5.659 8.171 1.00 1.00 H new ATOM 0 HA ALA A 13 52.388 -4.442 7.797 1.00 1.00 H new ATOM 0 HB1 ALA A 13 52.525 -2.054 8.445 1.00 1.00 H new ATOM 0 HB2 ALA A 13 53.440 -3.077 9.578 1.00 1.00 H new ATOM 0 HB3 ALA A 13 54.301 -2.128 8.343 1.00 1.00 H new ATOM 195 N THR A 14 52.879 -2.099 5.981 1.00 1.00 N ATOM 196 CA THR A 14 52.804 -1.525 4.609 1.00 1.00 C ATOM 197 C THR A 14 54.220 -1.303 4.074 1.00 1.00 C ATOM 198 O THR A 14 54.752 -0.212 4.135 1.00 1.00 O ATOM 199 CB THR A 14 52.061 -0.188 4.655 1.00 1.00 C ATOM 200 OG1 THR A 14 50.829 -0.357 5.342 1.00 1.00 O ATOM 201 CG2 THR A 14 51.790 0.297 3.230 1.00 1.00 C ATOM 0 H THR A 14 52.639 -1.456 6.735 1.00 1.00 H new ATOM 0 HA THR A 14 52.270 -2.214 3.954 1.00 1.00 H new ATOM 0 HB THR A 14 52.671 0.549 5.177 1.00 1.00 H new ATOM 0 HG1 THR A 14 50.352 0.499 5.374 1.00 1.00 H new ATOM 0 HG21 THR A 14 51.261 1.249 3.264 1.00 1.00 H new ATOM 0 HG22 THR A 14 52.736 0.426 2.704 1.00 1.00 H new ATOM 0 HG23 THR A 14 51.180 -0.438 2.705 1.00 1.00 H new ATOM 209 N ARG A 15 54.835 -2.328 3.552 1.00 1.00 N ATOM 210 CA ARG A 15 56.217 -2.172 3.017 1.00 1.00 C ATOM 211 C ARG A 15 56.208 -1.168 1.860 1.00 1.00 C ATOM 212 O ARG A 15 55.860 -0.016 2.032 1.00 1.00 O ATOM 213 CB ARG A 15 56.731 -3.528 2.524 1.00 1.00 C ATOM 214 CG ARG A 15 55.643 -4.221 1.701 1.00 1.00 C ATOM 215 CD ARG A 15 56.220 -5.476 1.045 1.00 1.00 C ATOM 216 NE ARG A 15 55.249 -6.006 0.047 1.00 1.00 N ATOM 217 CZ ARG A 15 54.233 -6.724 0.442 1.00 1.00 C ATOM 218 NH1 ARG A 15 54.068 -6.979 1.711 1.00 1.00 N ATOM 219 NH2 ARG A 15 53.383 -7.188 -0.433 1.00 1.00 N ATOM 0 H ARG A 15 54.441 -3.266 3.473 1.00 1.00 H new ATOM 0 HA ARG A 15 56.873 -1.804 3.806 1.00 1.00 H new ATOM 0 HB2 ARG A 15 57.627 -3.390 1.919 1.00 1.00 H new ATOM 0 HB3 ARG A 15 57.012 -4.152 3.372 1.00 1.00 H new ATOM 0 HG2 ARG A 15 54.802 -4.487 2.341 1.00 1.00 H new ATOM 0 HG3 ARG A 15 55.261 -3.542 0.938 1.00 1.00 H new ATOM 0 HD2 ARG A 15 57.167 -5.242 0.558 1.00 1.00 H new ATOM 0 HD3 ARG A 15 56.429 -6.232 1.802 1.00 1.00 H new ATOM 0 HE ARG A 15 55.378 -5.808 -0.945 1.00 1.00 H new ATOM 0 HH11 ARG A 15 54.733 -6.617 2.395 1.00 1.00 H new ATOM 0 HH12 ARG A 15 53.274 -7.540 2.019 1.00 1.00 H new ATOM 0 HH21 ARG A 15 53.513 -6.990 -1.425 1.00 1.00 H new ATOM 0 HH22 ARG A 15 52.589 -7.749 -0.125 1.00 1.00 H new ATOM 233 N VAL A 16 56.588 -1.589 0.684 1.00 1.00 N ATOM 234 CA VAL A 16 56.599 -0.649 -0.472 1.00 1.00 C ATOM 235 C VAL A 16 56.923 -1.416 -1.757 1.00 1.00 C ATOM 236 O VAL A 16 56.444 -1.086 -2.823 1.00 1.00 O ATOM 237 CB VAL A 16 57.663 0.427 -0.237 1.00 1.00 C ATOM 238 CG1 VAL A 16 58.983 -0.237 0.160 1.00 1.00 C ATOM 239 CG2 VAL A 16 57.865 1.232 -1.523 1.00 1.00 C ATOM 0 H VAL A 16 56.890 -2.540 0.475 1.00 1.00 H new ATOM 0 HA VAL A 16 55.619 -0.181 -0.570 1.00 1.00 H new ATOM 0 HB VAL A 16 57.336 1.092 0.563 1.00 1.00 H new ATOM 0 HG11 VAL A 16 59.740 0.529 0.327 1.00 1.00 H new ATOM 0 HG12 VAL A 16 58.840 -0.812 1.075 1.00 1.00 H new ATOM 0 HG13 VAL A 16 59.310 -0.902 -0.639 1.00 1.00 H new ATOM 0 HG21 VAL A 16 58.622 1.998 -1.357 1.00 1.00 H new ATOM 0 HG22 VAL A 16 58.192 0.566 -2.322 1.00 1.00 H new ATOM 0 HG23 VAL A 16 56.925 1.706 -1.807 1.00 1.00 H new ATOM 249 N MET A 17 57.739 -2.433 -1.665 1.00 1.00 N ATOM 250 CA MET A 17 58.102 -3.218 -2.882 1.00 1.00 C ATOM 251 C MET A 17 58.034 -4.714 -2.566 1.00 1.00 C ATOM 252 O MET A 17 58.352 -5.143 -1.475 1.00 1.00 O ATOM 253 CB MET A 17 59.524 -2.848 -3.314 1.00 1.00 C ATOM 254 CG MET A 17 59.976 -3.779 -4.441 1.00 1.00 C ATOM 255 SD MET A 17 60.680 -5.287 -3.732 1.00 1.00 S ATOM 256 CE MET A 17 62.363 -4.663 -3.498 1.00 1.00 C ATOM 0 H MET A 17 58.170 -2.754 -0.798 1.00 1.00 H new ATOM 0 HA MET A 17 57.404 -2.989 -3.687 1.00 1.00 H new ATOM 0 HB2 MET A 17 59.555 -1.812 -3.650 1.00 1.00 H new ATOM 0 HB3 MET A 17 60.205 -2.929 -2.467 1.00 1.00 H new ATOM 0 HG2 MET A 17 59.131 -4.027 -5.083 1.00 1.00 H new ATOM 0 HG3 MET A 17 60.716 -3.279 -5.066 1.00 1.00 H new ATOM 0 HE1 MET A 17 62.984 -5.446 -3.062 1.00 1.00 H new ATOM 0 HE2 MET A 17 62.778 -4.365 -4.461 1.00 1.00 H new ATOM 0 HE3 MET A 17 62.342 -3.802 -2.830 1.00 1.00 H new ATOM 266 N GLY A 18 57.620 -5.511 -3.514 1.00 1.00 N ATOM 267 CA GLY A 18 57.529 -6.980 -3.272 1.00 1.00 C ATOM 268 C GLY A 18 57.758 -7.728 -4.587 1.00 1.00 C ATOM 269 O GLY A 18 58.837 -7.705 -5.145 1.00 1.00 O ATOM 0 H GLY A 18 57.340 -5.208 -4.447 1.00 1.00 H new ATOM 0 HA2 GLY A 18 58.271 -7.285 -2.534 1.00 1.00 H new ATOM 0 HA3 GLY A 18 56.551 -7.232 -2.863 1.00 1.00 H new ATOM 273 N GLY A 19 56.751 -8.390 -5.089 1.00 1.00 N ATOM 274 CA GLY A 19 56.916 -9.137 -6.369 1.00 1.00 C ATOM 275 C GLY A 19 57.678 -10.442 -6.105 1.00 1.00 C ATOM 276 O GLY A 19 58.889 -10.446 -6.014 1.00 1.00 O ATOM 0 H GLY A 19 55.823 -8.446 -4.669 1.00 1.00 H new ATOM 0 HA2 GLY A 19 55.940 -9.355 -6.804 1.00 1.00 H new ATOM 0 HA3 GLY A 19 57.458 -8.527 -7.091 1.00 1.00 H new ATOM 280 N PRO A 20 56.979 -11.544 -5.979 1.00 1.00 N ATOM 281 CA PRO A 20 57.615 -12.868 -5.718 1.00 1.00 C ATOM 282 C PRO A 20 58.805 -13.132 -6.646 1.00 1.00 C ATOM 283 O PRO A 20 58.644 -13.543 -7.778 1.00 1.00 O ATOM 284 CB PRO A 20 56.487 -13.869 -5.981 1.00 1.00 C ATOM 285 CG PRO A 20 55.230 -13.112 -5.708 1.00 1.00 C ATOM 286 CD PRO A 20 55.513 -11.651 -6.067 1.00 1.00 C ATOM 0 HA PRO A 20 58.024 -12.933 -4.710 1.00 1.00 H new ATOM 0 HB2 PRO A 20 56.514 -14.233 -7.008 1.00 1.00 H new ATOM 0 HB3 PRO A 20 56.572 -14.740 -5.331 1.00 1.00 H new ATOM 0 HG2 PRO A 20 54.405 -13.504 -6.302 1.00 1.00 H new ATOM 0 HG3 PRO A 20 54.941 -13.205 -4.661 1.00 1.00 H new ATOM 0 HD2 PRO A 20 55.154 -11.408 -7.067 1.00 1.00 H new ATOM 0 HD3 PRO A 20 55.020 -10.967 -5.376 1.00 1.00 H new ATOM 294 N CYS A 21 59.999 -12.895 -6.171 1.00 1.00 N ATOM 295 CA CYS A 21 61.207 -13.125 -7.014 1.00 1.00 C ATOM 296 C CYS A 21 62.292 -13.795 -6.168 1.00 1.00 C ATOM 297 O CYS A 21 62.252 -13.765 -4.954 1.00 1.00 O ATOM 298 CB CYS A 21 61.714 -11.779 -7.549 1.00 1.00 C ATOM 299 SG CYS A 21 63.511 -11.686 -7.356 1.00 1.00 S ATOM 0 H CYS A 21 60.190 -12.550 -5.230 1.00 1.00 H new ATOM 0 HA CYS A 21 60.957 -13.773 -7.854 1.00 1.00 H new ATOM 0 HB2 CYS A 21 61.445 -11.669 -8.600 1.00 1.00 H new ATOM 0 HB3 CYS A 21 61.238 -10.960 -7.011 1.00 1.00 H new ATOM 304 N THR A 22 63.263 -14.401 -6.800 1.00 1.00 N ATOM 305 CA THR A 22 64.353 -15.073 -6.033 1.00 1.00 C ATOM 306 C THR A 22 65.693 -14.839 -6.743 1.00 1.00 C ATOM 307 O THR A 22 65.747 -14.752 -7.954 1.00 1.00 O ATOM 308 CB THR A 22 64.069 -16.576 -5.964 1.00 1.00 C ATOM 309 OG1 THR A 22 64.492 -17.192 -7.172 1.00 1.00 O ATOM 310 CG2 THR A 22 62.569 -16.806 -5.769 1.00 1.00 C ATOM 0 H THR A 22 63.348 -14.460 -7.815 1.00 1.00 H new ATOM 0 HA THR A 22 64.399 -14.663 -5.024 1.00 1.00 H new ATOM 0 HB THR A 22 64.612 -17.010 -5.125 1.00 1.00 H new ATOM 0 HG1 THR A 22 64.312 -18.154 -7.129 1.00 1.00 H new ATOM 0 HG21 THR A 22 62.368 -17.876 -5.720 1.00 1.00 H new ATOM 0 HG22 THR A 22 62.246 -16.333 -4.841 1.00 1.00 H new ATOM 0 HG23 THR A 22 62.023 -16.372 -6.606 1.00 1.00 H new ATOM 318 N PRO A 23 66.768 -14.740 -6.000 1.00 1.00 N ATOM 319 CA PRO A 23 68.123 -14.515 -6.576 1.00 1.00 C ATOM 320 C PRO A 23 68.364 -15.345 -7.842 1.00 1.00 C ATOM 321 O PRO A 23 68.131 -16.537 -7.868 1.00 1.00 O ATOM 322 CB PRO A 23 69.063 -14.962 -5.455 1.00 1.00 C ATOM 323 CG PRO A 23 68.303 -14.723 -4.191 1.00 1.00 C ATOM 324 CD PRO A 23 66.812 -14.834 -4.532 1.00 1.00 C ATOM 0 HA PRO A 23 68.268 -13.480 -6.885 1.00 1.00 H new ATOM 0 HB2 PRO A 23 69.331 -16.013 -5.561 1.00 1.00 H new ATOM 0 HB3 PRO A 23 69.993 -14.393 -5.470 1.00 1.00 H new ATOM 0 HG2 PRO A 23 68.580 -15.454 -3.431 1.00 1.00 H new ATOM 0 HG3 PRO A 23 68.533 -13.738 -3.784 1.00 1.00 H new ATOM 0 HD2 PRO A 23 66.393 -15.777 -4.181 1.00 1.00 H new ATOM 0 HD3 PRO A 23 66.236 -14.035 -4.065 1.00 1.00 H new ATOM 332 N ARG A 24 68.832 -14.723 -8.890 1.00 1.00 N ATOM 333 CA ARG A 24 69.092 -15.475 -10.151 1.00 1.00 C ATOM 334 C ARG A 24 69.615 -14.508 -11.218 1.00 1.00 C ATOM 335 O ARG A 24 70.382 -14.879 -12.083 1.00 1.00 O ATOM 336 CB ARG A 24 67.788 -16.133 -10.635 1.00 1.00 C ATOM 337 CG ARG A 24 67.952 -17.654 -10.635 1.00 1.00 C ATOM 338 CD ARG A 24 66.585 -18.316 -10.821 1.00 1.00 C ATOM 339 NE ARG A 24 66.025 -17.932 -12.148 1.00 1.00 N ATOM 340 CZ ARG A 24 64.876 -18.415 -12.535 1.00 1.00 C ATOM 341 NH1 ARG A 24 64.218 -19.233 -11.760 1.00 1.00 N ATOM 342 NH2 ARG A 24 64.385 -18.079 -13.696 1.00 1.00 N ATOM 0 H ARG A 24 69.046 -13.726 -8.928 1.00 1.00 H new ATOM 0 HA ARG A 24 69.837 -16.250 -9.970 1.00 1.00 H new ATOM 0 HB2 ARG A 24 66.961 -15.846 -9.986 1.00 1.00 H new ATOM 0 HB3 ARG A 24 67.542 -15.783 -11.638 1.00 1.00 H new ATOM 0 HG2 ARG A 24 68.627 -17.957 -11.436 1.00 1.00 H new ATOM 0 HG3 ARG A 24 68.402 -17.982 -9.698 1.00 1.00 H new ATOM 0 HD2 ARG A 24 66.681 -19.400 -10.755 1.00 1.00 H new ATOM 0 HD3 ARG A 24 65.908 -18.007 -10.025 1.00 1.00 H new ATOM 0 HE ARG A 24 66.540 -17.292 -12.753 1.00 1.00 H new ATOM 0 HH11 ARG A 24 64.602 -19.495 -10.852 1.00 1.00 H new ATOM 0 HH12 ARG A 24 63.320 -19.611 -12.062 1.00 1.00 H new ATOM 0 HH21 ARG A 24 64.899 -17.439 -14.301 1.00 1.00 H new ATOM 0 HH22 ARG A 24 63.487 -18.456 -13.999 1.00 1.00 H new ATOM 356 N LYS A 25 69.208 -13.269 -11.160 1.00 1.00 N ATOM 357 CA LYS A 25 69.686 -12.283 -12.170 1.00 1.00 C ATOM 358 C LYS A 25 71.214 -12.225 -12.135 1.00 1.00 C ATOM 359 O LYS A 25 71.846 -11.682 -13.019 1.00 1.00 O ATOM 360 CB LYS A 25 69.113 -10.900 -11.846 1.00 1.00 C ATOM 361 CG LYS A 25 67.636 -11.033 -11.470 1.00 1.00 C ATOM 362 CD LYS A 25 66.901 -11.820 -12.557 1.00 1.00 C ATOM 363 CE LYS A 25 65.391 -11.642 -12.384 1.00 1.00 C ATOM 364 NZ LYS A 25 64.674 -12.678 -13.180 1.00 1.00 N ATOM 0 H LYS A 25 68.567 -12.898 -10.459 1.00 1.00 H new ATOM 0 HA LYS A 25 69.355 -12.587 -13.163 1.00 1.00 H new ATOM 0 HB2 LYS A 25 69.669 -10.448 -11.024 1.00 1.00 H new ATOM 0 HB3 LYS A 25 69.222 -10.239 -12.706 1.00 1.00 H new ATOM 0 HG2 LYS A 25 67.538 -11.540 -10.510 1.00 1.00 H new ATOM 0 HG3 LYS A 25 67.189 -10.046 -11.356 1.00 1.00 H new ATOM 0 HD2 LYS A 25 67.208 -11.472 -13.543 1.00 1.00 H new ATOM 0 HD3 LYS A 25 67.163 -12.876 -12.496 1.00 1.00 H new ATOM 0 HE2 LYS A 25 65.122 -11.727 -11.331 1.00 1.00 H new ATOM 0 HE3 LYS A 25 65.092 -10.646 -12.710 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 63.648 -12.557 -13.063 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 64.922 -12.577 -14.185 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 64.951 -13.624 -12.849 1.00 1.00 H new ATOM 378 N GLY A 26 71.812 -12.783 -11.118 1.00 1.00 N ATOM 379 CA GLY A 26 73.299 -12.764 -11.021 1.00 1.00 C ATOM 380 C GLY A 26 73.803 -11.324 -11.151 1.00 1.00 C ATOM 381 O GLY A 26 73.039 -10.410 -11.389 1.00 1.00 O ATOM 0 H GLY A 26 71.334 -13.252 -10.349 1.00 1.00 H new ATOM 0 HA2 GLY A 26 73.617 -13.187 -10.068 1.00 1.00 H new ATOM 0 HA3 GLY A 26 73.733 -13.384 -11.805 1.00 1.00 H new ATOM 385 N PRO A 27 75.086 -11.127 -10.994 1.00 1.00 N ATOM 386 CA PRO A 27 75.712 -9.775 -11.094 1.00 1.00 C ATOM 387 C PRO A 27 75.297 -9.034 -12.377 1.00 1.00 C ATOM 388 O PRO A 27 75.442 -9.554 -13.465 1.00 1.00 O ATOM 389 CB PRO A 27 77.216 -10.071 -11.115 1.00 1.00 C ATOM 390 CG PRO A 27 77.368 -11.391 -10.434 1.00 1.00 C ATOM 391 CD PRO A 27 76.080 -12.172 -10.702 1.00 1.00 C ATOM 0 HA PRO A 27 75.405 -9.127 -10.273 1.00 1.00 H new ATOM 0 HB2 PRO A 27 77.595 -10.110 -12.136 1.00 1.00 H new ATOM 0 HB3 PRO A 27 77.777 -9.294 -10.596 1.00 1.00 H new ATOM 0 HG2 PRO A 27 78.234 -11.928 -10.820 1.00 1.00 H new ATOM 0 HG3 PRO A 27 77.525 -11.259 -9.364 1.00 1.00 H new ATOM 0 HD2 PRO A 27 76.196 -12.858 -11.541 1.00 1.00 H new ATOM 0 HD3 PRO A 27 75.789 -12.770 -9.839 1.00 1.00 H new ATOM 399 N PRO A 28 74.794 -7.827 -12.258 1.00 1.00 N ATOM 400 CA PRO A 28 74.371 -7.019 -13.438 1.00 1.00 C ATOM 401 C PRO A 28 75.383 -7.102 -14.585 1.00 1.00 C ATOM 402 O PRO A 28 76.494 -7.555 -14.407 1.00 1.00 O ATOM 403 CB PRO A 28 74.295 -5.596 -12.887 1.00 1.00 C ATOM 404 CG PRO A 28 73.971 -5.762 -11.438 1.00 1.00 C ATOM 405 CD PRO A 28 74.574 -7.101 -10.997 1.00 1.00 C ATOM 0 HA PRO A 28 73.431 -7.372 -13.862 1.00 1.00 H new ATOM 0 HB2 PRO A 28 75.239 -5.069 -13.023 1.00 1.00 H new ATOM 0 HB3 PRO A 28 73.529 -5.014 -13.399 1.00 1.00 H new ATOM 0 HG2 PRO A 28 74.385 -4.941 -10.853 1.00 1.00 H new ATOM 0 HG3 PRO A 28 72.893 -5.754 -11.280 1.00 1.00 H new ATOM 0 HD2 PRO A 28 75.507 -6.958 -10.451 1.00 1.00 H new ATOM 0 HD3 PRO A 28 73.898 -7.644 -10.337 1.00 1.00 H new ATOM 413 N LYS A 29 75.004 -6.673 -15.760 1.00 1.00 N ATOM 414 CA LYS A 29 75.942 -6.727 -16.920 1.00 1.00 C ATOM 415 C LYS A 29 77.251 -6.017 -16.559 1.00 1.00 C ATOM 416 O LYS A 29 77.520 -4.923 -17.013 1.00 1.00 O ATOM 417 CB LYS A 29 75.303 -6.026 -18.124 1.00 1.00 C ATOM 418 CG LYS A 29 76.141 -6.288 -19.377 1.00 1.00 C ATOM 419 CD LYS A 29 76.144 -5.038 -20.260 1.00 1.00 C ATOM 420 CE LYS A 29 74.726 -4.765 -20.764 1.00 1.00 C ATOM 421 NZ LYS A 29 74.709 -3.487 -21.531 1.00 1.00 N ATOM 0 H LYS A 29 74.083 -6.287 -15.967 1.00 1.00 H new ATOM 0 HA LYS A 29 76.150 -7.768 -17.167 1.00 1.00 H new ATOM 0 HB2 LYS A 29 74.286 -6.390 -18.272 1.00 1.00 H new ATOM 0 HB3 LYS A 29 75.234 -4.954 -17.939 1.00 1.00 H new ATOM 0 HG2 LYS A 29 77.161 -6.551 -19.097 1.00 1.00 H new ATOM 0 HG3 LYS A 29 75.734 -7.135 -19.929 1.00 1.00 H new ATOM 0 HD2 LYS A 29 76.511 -4.182 -19.695 1.00 1.00 H new ATOM 0 HD3 LYS A 29 76.820 -5.177 -21.103 1.00 1.00 H new ATOM 0 HE2 LYS A 29 74.389 -5.586 -21.397 1.00 1.00 H new ATOM 0 HE3 LYS A 29 74.035 -4.706 -19.923 1.00 1.00 H new ATOM 0 HZ1 LYS A 29 73.745 -3.301 -21.874 1.00 1.00 H new ATOM 0 HZ2 LYS A 29 75.013 -2.707 -20.914 1.00 1.00 H new ATOM 0 HZ3 LYS A 29 75.357 -3.560 -22.341 1.00 1.00 H new ATOM 435 N CYS A 30 78.066 -6.634 -15.748 1.00 1.00 N ATOM 436 CA CYS A 30 79.358 -6.003 -15.355 1.00 1.00 C ATOM 437 C CYS A 30 80.346 -7.094 -14.938 1.00 1.00 C ATOM 438 O CYS A 30 79.992 -8.250 -14.815 1.00 1.00 O ATOM 439 CB CYS A 30 79.125 -5.051 -14.179 1.00 1.00 C ATOM 440 SG CYS A 30 77.946 -3.766 -14.666 1.00 1.00 S ATOM 0 H CYS A 30 77.892 -7.552 -15.339 1.00 1.00 H new ATOM 0 HA CYS A 30 79.763 -5.444 -16.199 1.00 1.00 H new ATOM 0 HB2 CYS A 30 78.743 -5.603 -13.320 1.00 1.00 H new ATOM 0 HB3 CYS A 30 80.067 -4.597 -13.872 1.00 1.00 H new ATOM 445 N LYS A 31 81.582 -6.739 -14.716 1.00 1.00 N ATOM 446 CA LYS A 31 82.590 -7.751 -14.306 1.00 1.00 C ATOM 447 C LYS A 31 83.550 -7.111 -13.298 1.00 1.00 C ATOM 448 O LYS A 31 84.205 -6.134 -13.595 1.00 1.00 O ATOM 449 CB LYS A 31 83.361 -8.220 -15.546 1.00 1.00 C ATOM 450 CG LYS A 31 83.936 -9.615 -15.294 1.00 1.00 C ATOM 451 CD LYS A 31 84.871 -9.572 -14.084 1.00 1.00 C ATOM 452 CE LYS A 31 85.896 -10.703 -14.189 1.00 1.00 C ATOM 453 NZ LYS A 31 86.567 -10.888 -12.871 1.00 1.00 N ATOM 0 H LYS A 31 81.936 -5.786 -14.802 1.00 1.00 H new ATOM 0 HA LYS A 31 82.102 -8.609 -13.844 1.00 1.00 H new ATOM 0 HB2 LYS A 31 82.700 -8.239 -16.412 1.00 1.00 H new ATOM 0 HB3 LYS A 31 84.165 -7.520 -15.774 1.00 1.00 H new ATOM 0 HG2 LYS A 31 83.129 -10.326 -15.118 1.00 1.00 H new ATOM 0 HG3 LYS A 31 84.479 -9.960 -16.174 1.00 1.00 H new ATOM 0 HD2 LYS A 31 85.380 -8.609 -14.039 1.00 1.00 H new ATOM 0 HD3 LYS A 31 84.296 -9.672 -13.163 1.00 1.00 H new ATOM 0 HE2 LYS A 31 85.404 -11.627 -14.492 1.00 1.00 H new ATOM 0 HE3 LYS A 31 86.635 -10.469 -14.956 1.00 1.00 H new ATOM 0 HZ1 LYS A 31 87.176 -11.730 -12.907 1.00 1.00 H new ATOM 0 HZ2 LYS A 31 87.146 -10.051 -12.656 1.00 1.00 H new ATOM 0 HZ3 LYS A 31 85.848 -11.012 -12.130 1.00 1.00 H new ATOM 467 N GLN A 32 83.622 -7.655 -12.108 1.00 1.00 N ATOM 468 CA GLN A 32 84.524 -7.091 -11.053 1.00 1.00 C ATOM 469 C GLN A 32 84.576 -5.563 -11.161 1.00 1.00 C ATOM 470 O GLN A 32 83.674 -4.937 -11.681 1.00 1.00 O ATOM 471 CB GLN A 32 85.936 -7.701 -11.186 1.00 1.00 C ATOM 472 CG GLN A 32 86.745 -6.933 -12.234 1.00 1.00 C ATOM 473 CD GLN A 32 87.955 -6.278 -11.566 1.00 1.00 C ATOM 474 OE1 GLN A 32 87.852 -5.753 -10.475 1.00 1.00 O ATOM 475 NE2 GLN A 32 89.107 -6.287 -12.178 1.00 1.00 N ATOM 0 H GLN A 32 83.089 -8.475 -11.819 1.00 1.00 H new ATOM 0 HA GLN A 32 84.128 -7.348 -10.070 1.00 1.00 H new ATOM 0 HB2 GLN A 32 86.447 -7.667 -10.224 1.00 1.00 H new ATOM 0 HB3 GLN A 32 85.862 -8.751 -11.470 1.00 1.00 H new ATOM 0 HG2 GLN A 32 87.074 -7.610 -13.023 1.00 1.00 H new ATOM 0 HG3 GLN A 32 86.121 -6.174 -12.705 1.00 1.00 H new ATOM 0 HE21 GLN A 32 89.195 -6.727 -13.094 1.00 1.00 H new ATOM 0 HE22 GLN A 32 89.920 -5.854 -11.741 1.00 1.00 H new ATOM 484 N ARG A 33 85.621 -4.957 -10.670 1.00 1.00 N ATOM 485 CA ARG A 33 85.723 -3.473 -10.746 1.00 1.00 C ATOM 486 C ARG A 33 86.042 -3.057 -12.184 1.00 1.00 C ATOM 487 O ARG A 33 87.113 -3.322 -12.693 1.00 1.00 O ATOM 488 CB ARG A 33 86.839 -2.988 -9.817 1.00 1.00 C ATOM 489 CG ARG A 33 86.713 -1.477 -9.609 1.00 1.00 C ATOM 490 CD ARG A 33 88.068 -0.905 -9.187 1.00 1.00 C ATOM 491 NE ARG A 33 88.807 -1.920 -8.385 1.00 1.00 N ATOM 492 CZ ARG A 33 90.109 -1.867 -8.306 1.00 1.00 C ATOM 493 NH1 ARG A 33 90.763 -0.926 -8.931 1.00 1.00 N ATOM 494 NH2 ARG A 33 90.756 -2.756 -7.603 1.00 1.00 N ATOM 0 H ARG A 33 86.408 -5.425 -10.220 1.00 1.00 H new ATOM 0 HA ARG A 33 84.776 -3.029 -10.439 1.00 1.00 H new ATOM 0 HB2 ARG A 33 86.778 -3.504 -8.859 1.00 1.00 H new ATOM 0 HB3 ARG A 33 87.812 -3.226 -10.246 1.00 1.00 H new ATOM 0 HG2 ARG A 33 86.375 -1.000 -10.529 1.00 1.00 H new ATOM 0 HG3 ARG A 33 85.964 -1.265 -8.846 1.00 1.00 H new ATOM 0 HD2 ARG A 33 88.648 -0.629 -10.067 1.00 1.00 H new ATOM 0 HD3 ARG A 33 87.925 0.003 -8.601 1.00 1.00 H new ATOM 0 HE ARG A 33 88.296 -2.656 -7.898 1.00 1.00 H new ATOM 0 HH11 ARG A 33 90.257 -0.232 -9.481 1.00 1.00 H new ATOM 0 HH12 ARG A 33 91.780 -0.885 -8.869 1.00 1.00 H new ATOM 0 HH21 ARG A 33 90.244 -3.492 -7.116 1.00 1.00 H new ATOM 0 HH22 ARG A 33 91.773 -2.715 -7.541 1.00 1.00 H new ATOM 508 N GLN A 34 85.122 -2.406 -12.843 1.00 1.00 N ATOM 509 CA GLN A 34 85.377 -1.975 -14.247 1.00 1.00 C ATOM 510 C GLN A 34 84.444 -0.813 -14.600 1.00 1.00 C ATOM 511 O GLN A 34 84.273 0.112 -13.833 1.00 1.00 O ATOM 512 CB GLN A 34 85.119 -3.149 -15.197 1.00 1.00 C ATOM 513 CG GLN A 34 85.856 -2.912 -16.516 1.00 1.00 C ATOM 514 CD GLN A 34 87.351 -3.176 -16.321 1.00 1.00 C ATOM 515 OE1 GLN A 34 88.127 -2.202 -15.931 1.00 1.00 O flip ATOM 516 NE2 GLN A 34 87.816 -4.279 -16.526 1.00 1.00 N flip ATOM 0 H GLN A 34 84.206 -2.154 -12.470 1.00 1.00 H new ATOM 0 HA GLN A 34 86.413 -1.651 -14.347 1.00 1.00 H new ATOM 0 HB2 GLN A 34 85.457 -4.080 -14.742 1.00 1.00 H new ATOM 0 HB3 GLN A 34 84.050 -3.254 -15.380 1.00 1.00 H new ATOM 0 HG2 GLN A 34 85.458 -3.568 -17.290 1.00 1.00 H new ATOM 0 HG3 GLN A 34 85.698 -1.888 -16.854 1.00 1.00 H new ATOM 0 HE21 GLN A 34 87.209 -5.040 -16.831 1.00 1.00 H new ATOM 0 HE22 GLN A 34 88.814 -4.445 -16.393 1.00 1.00 H new ATOM 525 N THR A 35 83.842 -0.854 -15.758 1.00 1.00 N ATOM 526 CA THR A 35 82.923 0.246 -16.165 1.00 1.00 C ATOM 527 C THR A 35 83.627 1.596 -15.991 1.00 1.00 C ATOM 528 O THR A 35 84.287 2.079 -16.890 1.00 1.00 O ATOM 529 CB THR A 35 81.658 0.208 -15.300 1.00 1.00 C ATOM 530 OG1 THR A 35 82.000 0.493 -13.951 1.00 1.00 O ATOM 531 CG2 THR A 35 81.021 -1.180 -15.385 1.00 1.00 C ATOM 0 H THR A 35 83.948 -1.604 -16.441 1.00 1.00 H new ATOM 0 HA THR A 35 82.647 0.116 -17.211 1.00 1.00 H new ATOM 0 HB THR A 35 80.949 0.953 -15.660 1.00 1.00 H new ATOM 0 HG1 THR A 35 82.663 -0.157 -13.637 1.00 1.00 H new ATOM 0 HG21 THR A 35 80.122 -1.206 -14.770 1.00 1.00 H new ATOM 0 HG22 THR A 35 80.759 -1.397 -16.420 1.00 1.00 H new ATOM 0 HG23 THR A 35 81.728 -1.928 -15.026 1.00 1.00 H new ATOM 539 N ARG A 36 83.490 2.211 -14.845 1.00 1.00 N ATOM 540 CA ARG A 36 84.150 3.531 -14.618 1.00 1.00 C ATOM 541 C ARG A 36 85.424 3.335 -13.792 1.00 1.00 C ATOM 542 O ARG A 36 86.099 4.284 -13.448 1.00 1.00 O ATOM 543 CB ARG A 36 83.192 4.454 -13.859 1.00 1.00 C ATOM 544 CG ARG A 36 81.982 4.774 -14.739 1.00 1.00 C ATOM 545 CD ARG A 36 82.428 5.624 -15.931 1.00 1.00 C ATOM 546 NE ARG A 36 82.748 4.734 -17.083 1.00 1.00 N ATOM 547 CZ ARG A 36 83.158 5.248 -18.210 1.00 1.00 C ATOM 548 NH1 ARG A 36 83.290 6.541 -18.328 1.00 1.00 N ATOM 549 NH2 ARG A 36 83.438 4.469 -19.219 1.00 1.00 N ATOM 0 H ARG A 36 82.949 1.856 -14.056 1.00 1.00 H new ATOM 0 HA ARG A 36 84.406 3.977 -15.579 1.00 1.00 H new ATOM 0 HB2 ARG A 36 82.866 3.976 -12.935 1.00 1.00 H new ATOM 0 HB3 ARG A 36 83.704 5.375 -13.578 1.00 1.00 H new ATOM 0 HG2 ARG A 36 81.520 3.851 -15.090 1.00 1.00 H new ATOM 0 HG3 ARG A 36 81.229 5.308 -14.160 1.00 1.00 H new ATOM 0 HD2 ARG A 36 81.640 6.325 -16.207 1.00 1.00 H new ATOM 0 HD3 ARG A 36 83.302 6.217 -15.662 1.00 1.00 H new ATOM 0 HE ARG A 36 82.646 3.723 -16.990 1.00 1.00 H new ATOM 0 HH11 ARG A 36 83.073 7.150 -17.539 1.00 1.00 H new ATOM 0 HH12 ARG A 36 83.611 6.943 -19.209 1.00 1.00 H new ATOM 0 HH21 ARG A 36 83.336 3.458 -19.127 1.00 1.00 H new ATOM 0 HH22 ARG A 36 83.758 4.871 -20.100 1.00 1.00 H new ATOM 563 N GLN A 37 85.754 2.112 -13.472 1.00 1.00 N ATOM 564 CA GLN A 37 86.983 1.844 -12.667 1.00 1.00 C ATOM 565 C GLN A 37 86.878 2.549 -11.312 1.00 1.00 C ATOM 566 O GLN A 37 86.730 1.915 -10.286 1.00 1.00 O ATOM 567 CB GLN A 37 88.217 2.357 -13.415 1.00 1.00 C ATOM 568 CG GLN A 37 89.482 1.851 -12.719 1.00 1.00 C ATOM 569 CD GLN A 37 90.709 2.226 -13.552 1.00 1.00 C ATOM 570 OE1 GLN A 37 90.779 1.914 -14.725 1.00 1.00 O ATOM 571 NE2 GLN A 37 91.686 2.886 -12.993 1.00 1.00 N ATOM 0 H GLN A 37 85.222 1.282 -13.735 1.00 1.00 H new ATOM 0 HA GLN A 37 87.078 0.770 -12.510 1.00 1.00 H new ATOM 0 HB2 GLN A 37 88.197 2.015 -14.450 1.00 1.00 H new ATOM 0 HB3 GLN A 37 88.214 3.447 -13.440 1.00 1.00 H new ATOM 0 HG2 GLN A 37 89.560 2.285 -11.722 1.00 1.00 H new ATOM 0 HG3 GLN A 37 89.432 0.770 -12.592 1.00 1.00 H new ATOM 0 HE21 GLN A 37 91.627 3.148 -12.009 1.00 1.00 H new ATOM 0 HE22 GLN A 37 92.508 3.140 -13.540 1.00 1.00 H new ATOM 580 N CYS A 38 86.958 3.852 -11.302 1.00 1.00 N ATOM 581 CA CYS A 38 86.867 4.605 -10.018 1.00 1.00 C ATOM 582 C CYS A 38 87.945 4.105 -9.054 1.00 1.00 C ATOM 583 O CYS A 38 87.929 2.972 -8.617 1.00 1.00 O ATOM 584 CB CYS A 38 85.481 4.400 -9.400 1.00 1.00 C ATOM 585 SG CYS A 38 84.252 5.317 -10.362 1.00 1.00 S ATOM 0 H CYS A 38 87.083 4.431 -12.133 1.00 1.00 H new ATOM 0 HA CYS A 38 87.021 5.667 -10.208 1.00 1.00 H new ATOM 0 HB2 CYS A 38 85.230 3.339 -9.386 1.00 1.00 H new ATOM 0 HB3 CYS A 38 85.478 4.742 -8.365 1.00 1.00 H new ATOM 590 N LYS A 39 88.888 4.951 -8.731 1.00 1.00 N ATOM 591 CA LYS A 39 89.991 4.556 -7.807 1.00 1.00 C ATOM 592 C LYS A 39 89.456 3.647 -6.700 1.00 1.00 C ATOM 593 O LYS A 39 88.458 3.936 -6.070 1.00 1.00 O ATOM 594 CB LYS A 39 90.597 5.812 -7.175 1.00 1.00 C ATOM 595 CG LYS A 39 91.412 6.572 -8.223 1.00 1.00 C ATOM 596 CD LYS A 39 90.472 7.137 -9.290 1.00 1.00 C ATOM 597 CE LYS A 39 91.130 8.341 -9.966 1.00 1.00 C ATOM 598 NZ LYS A 39 90.232 8.864 -11.034 1.00 1.00 N ATOM 0 H LYS A 39 88.941 5.911 -9.073 1.00 1.00 H new ATOM 0 HA LYS A 39 90.751 4.018 -8.374 1.00 1.00 H new ATOM 0 HB2 LYS A 39 89.806 6.451 -6.781 1.00 1.00 H new ATOM 0 HB3 LYS A 39 91.233 5.537 -6.334 1.00 1.00 H new ATOM 0 HG2 LYS A 39 91.969 7.380 -7.750 1.00 1.00 H new ATOM 0 HG3 LYS A 39 92.143 5.907 -8.683 1.00 1.00 H new ATOM 0 HD2 LYS A 39 90.244 6.371 -10.031 1.00 1.00 H new ATOM 0 HD3 LYS A 39 89.526 7.433 -8.836 1.00 1.00 H new ATOM 0 HE2 LYS A 39 91.330 9.120 -9.230 1.00 1.00 H new ATOM 0 HE3 LYS A 39 92.090 8.052 -10.393 1.00 1.00 H new ATOM 0 HZ1 LYS A 39 90.679 9.683 -11.494 1.00 1.00 H new ATOM 0 HZ2 LYS A 39 90.063 8.120 -11.741 1.00 1.00 H new ATOM 0 HZ3 LYS A 39 89.326 9.155 -10.614 1.00 1.00 H new ATOM 612 N SER A 40 90.118 2.550 -6.457 1.00 1.00 N ATOM 613 CA SER A 40 89.657 1.622 -5.388 1.00 1.00 C ATOM 614 C SER A 40 89.420 2.416 -4.103 1.00 1.00 C ATOM 615 O SER A 40 88.370 2.338 -3.497 1.00 1.00 O ATOM 616 CB SER A 40 90.724 0.555 -5.140 1.00 1.00 C ATOM 617 OG SER A 40 91.871 1.164 -4.565 1.00 1.00 O ATOM 0 H SER A 40 90.959 2.256 -6.953 1.00 1.00 H new ATOM 0 HA SER A 40 88.730 1.138 -5.697 1.00 1.00 H new ATOM 0 HB2 SER A 40 90.336 -0.217 -4.475 1.00 1.00 H new ATOM 0 HB3 SER A 40 90.989 0.065 -6.077 1.00 1.00 H new ATOM 0 HG SER A 40 92.557 0.483 -4.403 1.00 1.00 H new ATOM 623 N LYS A 41 90.386 3.189 -3.687 1.00 1.00 N ATOM 624 CA LYS A 41 90.211 3.995 -2.448 1.00 1.00 C ATOM 625 C LYS A 41 89.240 5.148 -2.741 1.00 1.00 C ATOM 626 O LYS A 41 89.456 5.919 -3.655 1.00 1.00 O ATOM 627 CB LYS A 41 91.568 4.563 -2.016 1.00 1.00 C ATOM 628 CG LYS A 41 92.376 4.956 -3.254 1.00 1.00 C ATOM 629 CD LYS A 41 93.541 5.856 -2.840 1.00 1.00 C ATOM 630 CE LYS A 41 94.289 6.331 -4.087 1.00 1.00 C ATOM 631 NZ LYS A 41 94.465 5.188 -5.026 1.00 1.00 N ATOM 0 H LYS A 41 91.288 3.296 -4.152 1.00 1.00 H new ATOM 0 HA LYS A 41 89.812 3.370 -1.649 1.00 1.00 H new ATOM 0 HB2 LYS A 41 91.422 5.431 -1.373 1.00 1.00 H new ATOM 0 HB3 LYS A 41 92.115 3.822 -1.432 1.00 1.00 H new ATOM 0 HG2 LYS A 41 92.752 4.063 -3.754 1.00 1.00 H new ATOM 0 HG3 LYS A 41 91.737 5.476 -3.968 1.00 1.00 H new ATOM 0 HD2 LYS A 41 93.170 6.713 -2.277 1.00 1.00 H new ATOM 0 HD3 LYS A 41 94.219 5.312 -2.182 1.00 1.00 H new ATOM 0 HE2 LYS A 41 93.734 7.133 -4.574 1.00 1.00 H new ATOM 0 HE3 LYS A 41 95.260 6.739 -3.808 1.00 1.00 H new ATOM 0 HZ1 LYS A 41 95.249 5.392 -5.679 1.00 1.00 H new ATOM 0 HZ2 LYS A 41 94.680 4.325 -4.486 1.00 1.00 H new ATOM 0 HZ3 LYS A 41 93.590 5.047 -5.569 1.00 1.00 H new ATOM 645 N PRO A 42 88.174 5.270 -1.986 1.00 1.00 N ATOM 646 CA PRO A 42 87.171 6.353 -2.201 1.00 1.00 C ATOM 647 C PRO A 42 87.664 7.711 -1.681 1.00 1.00 C ATOM 648 O PRO A 42 88.452 7.776 -0.758 1.00 1.00 O ATOM 649 CB PRO A 42 85.956 5.878 -1.401 1.00 1.00 C ATOM 650 CG PRO A 42 86.523 5.035 -0.306 1.00 1.00 C ATOM 651 CD PRO A 42 87.807 4.402 -0.855 1.00 1.00 C ATOM 0 HA PRO A 42 86.961 6.513 -3.259 1.00 1.00 H new ATOM 0 HB2 PRO A 42 85.393 6.721 -1.000 1.00 1.00 H new ATOM 0 HB3 PRO A 42 85.271 5.305 -2.026 1.00 1.00 H new ATOM 0 HG2 PRO A 42 86.736 5.639 0.576 1.00 1.00 H new ATOM 0 HG3 PRO A 42 85.812 4.266 -0.002 1.00 1.00 H new ATOM 0 HD2 PRO A 42 88.593 4.375 -0.101 1.00 1.00 H new ATOM 0 HD3 PRO A 42 87.639 3.374 -1.178 1.00 1.00 H new ATOM 659 N PRO A 43 87.198 8.788 -2.264 1.00 1.00 N ATOM 660 CA PRO A 43 87.593 10.164 -1.846 1.00 1.00 C ATOM 661 C PRO A 43 86.896 10.594 -0.551 1.00 1.00 C ATOM 662 O PRO A 43 85.932 9.990 -0.124 1.00 1.00 O ATOM 663 CB PRO A 43 87.136 11.036 -3.016 1.00 1.00 C ATOM 664 CG PRO A 43 85.977 10.305 -3.608 1.00 1.00 C ATOM 665 CD PRO A 43 86.242 8.813 -3.383 1.00 1.00 C ATOM 0 HA PRO A 43 88.660 10.239 -1.636 1.00 1.00 H new ATOM 0 HB2 PRO A 43 86.845 12.031 -2.678 1.00 1.00 H new ATOM 0 HB3 PRO A 43 87.935 11.168 -3.746 1.00 1.00 H new ATOM 0 HG2 PRO A 43 85.044 10.609 -3.134 1.00 1.00 H new ATOM 0 HG3 PRO A 43 85.881 10.526 -4.671 1.00 1.00 H new ATOM 0 HD2 PRO A 43 85.325 8.277 -3.137 1.00 1.00 H new ATOM 0 HD3 PRO A 43 86.657 8.342 -4.274 1.00 1.00 H new ATOM 673 N LYS A 44 87.371 11.636 0.073 1.00 1.00 N ATOM 674 CA LYS A 44 86.729 12.103 1.334 1.00 1.00 C ATOM 675 C LYS A 44 85.388 12.761 1.000 1.00 1.00 C ATOM 676 O LYS A 44 84.731 12.401 0.044 1.00 1.00 O ATOM 677 CB LYS A 44 87.638 13.122 2.028 1.00 1.00 C ATOM 678 CG LYS A 44 89.024 12.511 2.243 1.00 1.00 C ATOM 679 CD LYS A 44 88.972 11.523 3.410 1.00 1.00 C ATOM 680 CE LYS A 44 90.396 11.144 3.822 1.00 1.00 C ATOM 681 NZ LYS A 44 90.343 10.129 4.912 1.00 1.00 N ATOM 0 H LYS A 44 88.175 12.184 -0.235 1.00 1.00 H new ATOM 0 HA LYS A 44 86.568 11.254 1.998 1.00 1.00 H new ATOM 0 HB2 LYS A 44 87.718 14.025 1.423 1.00 1.00 H new ATOM 0 HB3 LYS A 44 87.207 13.417 2.985 1.00 1.00 H new ATOM 0 HG2 LYS A 44 89.353 12.003 1.337 1.00 1.00 H new ATOM 0 HG3 LYS A 44 89.751 13.296 2.450 1.00 1.00 H new ATOM 0 HD2 LYS A 44 88.444 11.968 4.254 1.00 1.00 H new ATOM 0 HD3 LYS A 44 88.416 10.631 3.121 1.00 1.00 H new ATOM 0 HE2 LYS A 44 90.940 10.746 2.966 1.00 1.00 H new ATOM 0 HE3 LYS A 44 90.936 12.028 4.160 1.00 1.00 H new ATOM 0 HZ1 LYS A 44 91.310 9.871 5.193 1.00 1.00 H new ATOM 0 HZ2 LYS A 44 89.839 10.525 5.731 1.00 1.00 H new ATOM 0 HZ3 LYS A 44 89.843 9.282 4.574 1.00 1.00 H new ATOM 695 N LYS A 45 84.977 13.724 1.779 1.00 1.00 N ATOM 696 CA LYS A 45 83.680 14.405 1.502 1.00 1.00 C ATOM 697 C LYS A 45 83.924 15.614 0.598 1.00 1.00 C ATOM 698 O LYS A 45 84.020 16.735 1.057 1.00 1.00 O ATOM 699 CB LYS A 45 83.057 14.872 2.819 1.00 1.00 C ATOM 700 CG LYS A 45 82.534 13.661 3.594 1.00 1.00 C ATOM 701 CD LYS A 45 82.238 14.068 5.039 1.00 1.00 C ATOM 702 CE LYS A 45 81.270 15.253 5.048 1.00 1.00 C ATOM 703 NZ LYS A 45 80.657 15.383 6.400 1.00 1.00 N ATOM 0 H LYS A 45 85.483 14.069 2.595 1.00 1.00 H new ATOM 0 HA LYS A 45 83.003 13.709 1.006 1.00 1.00 H new ATOM 0 HB2 LYS A 45 83.797 15.406 3.415 1.00 1.00 H new ATOM 0 HB3 LYS A 45 82.243 15.570 2.621 1.00 1.00 H new ATOM 0 HG2 LYS A 45 81.630 13.276 3.121 1.00 1.00 H new ATOM 0 HG3 LYS A 45 83.271 12.858 3.575 1.00 1.00 H new ATOM 0 HD2 LYS A 45 81.806 13.228 5.583 1.00 1.00 H new ATOM 0 HD3 LYS A 45 83.163 14.337 5.549 1.00 1.00 H new ATOM 0 HE2 LYS A 45 81.798 16.170 4.787 1.00 1.00 H new ATOM 0 HE3 LYS A 45 80.493 15.108 4.297 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 79.999 16.188 6.407 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 80.140 14.511 6.632 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 81.404 15.540 7.106 1.00 1.00 H new ATOM 717 N GLY A 46 84.027 15.395 -0.686 1.00 1.00 N ATOM 718 CA GLY A 46 84.266 16.529 -1.626 1.00 1.00 C ATOM 719 C GLY A 46 82.945 16.944 -2.274 1.00 1.00 C ATOM 720 O GLY A 46 81.912 16.976 -1.634 1.00 1.00 O ATOM 0 H GLY A 46 83.956 14.477 -1.125 1.00 1.00 H new ATOM 0 HA2 GLY A 46 84.701 17.373 -1.091 1.00 1.00 H new ATOM 0 HA3 GLY A 46 84.982 16.234 -2.393 1.00 1.00 H new ATOM 724 N VAL A 47 82.969 17.262 -3.541 1.00 1.00 N ATOM 725 CA VAL A 47 81.716 17.676 -4.235 1.00 1.00 C ATOM 726 C VAL A 47 81.731 17.142 -5.669 1.00 1.00 C ATOM 727 O VAL A 47 81.249 17.779 -6.585 1.00 1.00 O ATOM 728 CB VAL A 47 81.629 19.205 -4.257 1.00 1.00 C ATOM 729 CG1 VAL A 47 80.169 19.632 -4.422 1.00 1.00 C ATOM 730 CG2 VAL A 47 82.177 19.765 -2.942 1.00 1.00 C ATOM 0 H VAL A 47 83.805 17.253 -4.126 1.00 1.00 H new ATOM 0 HA VAL A 47 80.853 17.272 -3.706 1.00 1.00 H new ATOM 0 HB VAL A 47 82.216 19.590 -5.091 1.00 1.00 H new ATOM 0 HG11 VAL A 47 80.108 20.720 -4.438 1.00 1.00 H new ATOM 0 HG12 VAL A 47 79.777 19.233 -5.357 1.00 1.00 H new ATOM 0 HG13 VAL A 47 79.581 19.247 -3.589 1.00 1.00 H new ATOM 0 HG21 VAL A 47 82.116 20.853 -2.956 1.00 1.00 H new ATOM 0 HG22 VAL A 47 81.589 19.379 -2.109 1.00 1.00 H new ATOM 0 HG23 VAL A 47 83.217 19.462 -2.823 1.00 1.00 H new ATOM 740 N GLN A 48 82.283 15.977 -5.870 1.00 1.00 N ATOM 741 CA GLN A 48 82.332 15.399 -7.243 1.00 1.00 C ATOM 742 C GLN A 48 80.942 15.486 -7.881 1.00 1.00 C ATOM 743 O GLN A 48 79.988 15.912 -7.260 1.00 1.00 O ATOM 744 CB GLN A 48 82.774 13.933 -7.162 1.00 1.00 C ATOM 745 CG GLN A 48 84.302 13.860 -7.149 1.00 1.00 C ATOM 746 CD GLN A 48 84.851 14.822 -6.094 1.00 1.00 C ATOM 747 OE1 GLN A 48 84.505 14.731 -4.933 1.00 1.00 O ATOM 748 NE2 GLN A 48 85.698 15.748 -6.451 1.00 1.00 N ATOM 0 H GLN A 48 82.703 15.399 -5.142 1.00 1.00 H new ATOM 0 HA GLN A 48 83.044 15.957 -7.851 1.00 1.00 H new ATOM 0 HB2 GLN A 48 82.370 13.470 -6.262 1.00 1.00 H new ATOM 0 HB3 GLN A 48 82.380 13.376 -8.012 1.00 1.00 H new ATOM 0 HG2 GLN A 48 84.626 12.842 -6.932 1.00 1.00 H new ATOM 0 HG3 GLN A 48 84.697 14.117 -8.132 1.00 1.00 H new ATOM 0 HE21 GLN A 48 85.989 15.825 -7.426 1.00 1.00 H new ATOM 0 HE22 GLN A 48 86.069 16.395 -5.755 1.00 1.00 H new ATOM 757 N GLY A 49 80.822 15.092 -9.119 1.00 1.00 N ATOM 758 CA GLY A 49 79.496 15.160 -9.799 1.00 1.00 C ATOM 759 C GLY A 49 78.605 14.009 -9.325 1.00 1.00 C ATOM 760 O GLY A 49 77.490 13.851 -9.780 1.00 1.00 O ATOM 0 H GLY A 49 81.584 14.726 -9.690 1.00 1.00 H new ATOM 0 HA2 GLY A 49 79.016 16.115 -9.584 1.00 1.00 H new ATOM 0 HA3 GLY A 49 79.629 15.107 -10.880 1.00 1.00 H new ATOM 764 N CYS A 50 79.082 13.204 -8.416 1.00 1.00 N ATOM 765 CA CYS A 50 78.253 12.069 -7.921 1.00 1.00 C ATOM 766 C CYS A 50 77.124 12.613 -7.040 1.00 1.00 C ATOM 767 O CYS A 50 76.109 11.973 -6.852 1.00 1.00 O ATOM 768 CB CYS A 50 79.134 11.109 -7.111 1.00 1.00 C ATOM 769 SG CYS A 50 78.294 10.669 -5.570 1.00 1.00 S ATOM 0 H CYS A 50 80.008 13.283 -7.995 1.00 1.00 H new ATOM 0 HA CYS A 50 77.822 11.531 -8.765 1.00 1.00 H new ATOM 0 HB2 CYS A 50 79.342 10.211 -7.693 1.00 1.00 H new ATOM 0 HB3 CYS A 50 80.094 11.577 -6.893 1.00 1.00 H new ATOM 774 N GLY A 51 77.293 13.788 -6.499 1.00 1.00 N ATOM 775 CA GLY A 51 76.229 14.370 -5.630 1.00 1.00 C ATOM 776 C GLY A 51 76.460 13.937 -4.181 1.00 1.00 C ATOM 777 O GLY A 51 76.112 12.841 -3.789 1.00 1.00 O ATOM 0 H GLY A 51 78.121 14.371 -6.620 1.00 1.00 H new ATOM 0 HA2 GLY A 51 76.240 15.458 -5.702 1.00 1.00 H new ATOM 0 HA3 GLY A 51 75.247 14.038 -5.968 1.00 1.00 H new ATOM 781 N ASP A 52 77.045 14.793 -3.383 1.00 1.00 N ATOM 782 CA ASP A 52 77.304 14.440 -1.955 1.00 1.00 C ATOM 783 C ASP A 52 76.454 15.331 -1.048 1.00 1.00 C ATOM 784 O ASP A 52 76.915 15.820 -0.035 1.00 1.00 O ATOM 785 CB ASP A 52 78.785 14.660 -1.640 1.00 1.00 C ATOM 786 CG ASP A 52 79.617 13.555 -2.294 1.00 1.00 C ATOM 787 OD1 ASP A 52 79.733 12.497 -1.697 1.00 1.00 O ATOM 788 OD2 ASP A 52 80.123 13.785 -3.379 1.00 1.00 O ATOM 0 H ASP A 52 77.355 15.724 -3.660 1.00 1.00 H new ATOM 0 HA ASP A 52 77.045 13.395 -1.784 1.00 1.00 H new ATOM 0 HB2 ASP A 52 79.104 15.635 -2.007 1.00 1.00 H new ATOM 0 HB3 ASP A 52 78.942 14.658 -0.561 1.00 1.00 H new ATOM 793 N ASP A 53 75.217 15.548 -1.401 1.00 1.00 N ATOM 794 CA ASP A 53 74.340 16.409 -0.557 1.00 1.00 C ATOM 795 C ASP A 53 72.877 16.021 -0.777 1.00 1.00 C ATOM 796 O ASP A 53 72.037 16.218 0.079 1.00 1.00 O ATOM 797 CB ASP A 53 74.543 17.876 -0.942 1.00 1.00 C ATOM 798 CG ASP A 53 73.545 18.747 -0.177 1.00 1.00 C ATOM 799 OD1 ASP A 53 72.357 18.596 -0.408 1.00 1.00 O ATOM 800 OD2 ASP A 53 73.986 19.551 0.628 1.00 1.00 O ATOM 0 H ASP A 53 74.775 15.166 -2.237 1.00 1.00 H new ATOM 0 HA ASP A 53 74.597 16.270 0.493 1.00 1.00 H new ATOM 0 HB2 ASP A 53 75.563 18.186 -0.713 1.00 1.00 H new ATOM 0 HB3 ASP A 53 74.405 18.004 -2.016 1.00 1.00 H new ATOM 805 N ILE A 54 72.562 15.472 -1.918 1.00 1.00 N ATOM 806 CA ILE A 54 71.151 15.075 -2.187 1.00 1.00 C ATOM 807 C ILE A 54 70.846 13.760 -1.455 1.00 1.00 C ATOM 808 O ILE A 54 71.651 12.851 -1.450 1.00 1.00 O ATOM 809 CB ILE A 54 70.959 14.876 -3.693 1.00 1.00 C ATOM 810 CG1 ILE A 54 72.168 14.133 -4.266 1.00 1.00 C ATOM 811 CG2 ILE A 54 70.829 16.239 -4.376 1.00 1.00 C ATOM 812 CD1 ILE A 54 71.835 13.621 -5.669 1.00 1.00 C ATOM 0 H ILE A 54 73.219 15.281 -2.674 1.00 1.00 H new ATOM 0 HA ILE A 54 70.476 15.855 -1.833 1.00 1.00 H new ATOM 0 HB ILE A 54 70.055 14.293 -3.870 1.00 1.00 H new ATOM 0 HG12 ILE A 54 73.031 14.797 -4.305 1.00 1.00 H new ATOM 0 HG13 ILE A 54 72.437 13.299 -3.617 1.00 1.00 H new ATOM 0 HG21 ILE A 54 70.692 16.097 -5.448 1.00 1.00 H new ATOM 0 HG22 ILE A 54 69.969 16.770 -3.968 1.00 1.00 H new ATOM 0 HG23 ILE A 54 71.733 16.822 -4.199 1.00 1.00 H new ATOM 0 HD11 ILE A 54 72.696 13.092 -6.077 1.00 1.00 H new ATOM 0 HD12 ILE A 54 70.984 12.942 -5.616 1.00 1.00 H new ATOM 0 HD13 ILE A 54 71.588 14.464 -6.315 1.00 1.00 H new ATOM 824 N PRO A 55 69.692 13.654 -0.840 1.00 1.00 N ATOM 825 CA PRO A 55 69.290 12.422 -0.099 1.00 1.00 C ATOM 826 C PRO A 55 68.879 11.288 -1.046 1.00 1.00 C ATOM 827 O PRO A 55 67.911 10.590 -0.814 1.00 1.00 O ATOM 828 CB PRO A 55 68.096 12.886 0.740 1.00 1.00 C ATOM 829 CG PRO A 55 67.493 14.006 -0.042 1.00 1.00 C ATOM 830 CD PRO A 55 68.646 14.689 -0.785 1.00 1.00 C ATOM 0 HA PRO A 55 70.107 12.014 0.495 1.00 1.00 H new ATOM 0 HB2 PRO A 55 67.380 12.078 0.890 1.00 1.00 H new ATOM 0 HB3 PRO A 55 68.413 13.219 1.728 1.00 1.00 H new ATOM 0 HG2 PRO A 55 66.747 13.632 -0.743 1.00 1.00 H new ATOM 0 HG3 PRO A 55 66.985 14.710 0.617 1.00 1.00 H new ATOM 0 HD2 PRO A 55 68.346 15.007 -1.783 1.00 1.00 H new ATOM 0 HD3 PRO A 55 68.991 15.578 -0.257 1.00 1.00 H new ATOM 838 N GLY A 56 69.606 11.100 -2.113 1.00 1.00 N ATOM 839 CA GLY A 56 69.254 10.013 -3.071 1.00 1.00 C ATOM 840 C GLY A 56 67.780 10.139 -3.463 1.00 1.00 C ATOM 841 O GLY A 56 66.959 9.321 -3.099 1.00 1.00 O ATOM 0 H GLY A 56 70.427 11.651 -2.363 1.00 1.00 H new ATOM 0 HA2 GLY A 56 69.884 10.077 -3.958 1.00 1.00 H new ATOM 0 HA3 GLY A 56 69.439 9.039 -2.617 1.00 1.00 H new ATOM 845 N MET A 57 67.439 11.159 -4.201 1.00 1.00 N ATOM 846 CA MET A 57 66.019 11.339 -4.615 1.00 1.00 C ATOM 847 C MET A 57 65.611 10.204 -5.556 1.00 1.00 C ATOM 848 O MET A 57 65.406 10.408 -6.736 1.00 1.00 O ATOM 849 CB MET A 57 65.864 12.683 -5.335 1.00 1.00 C ATOM 850 CG MET A 57 66.848 12.759 -6.504 1.00 1.00 C ATOM 851 SD MET A 57 65.939 12.668 -8.066 1.00 1.00 S ATOM 852 CE MET A 57 65.701 14.447 -8.293 1.00 1.00 C ATOM 0 H MET A 57 68.083 11.876 -4.535 1.00 1.00 H new ATOM 0 HA MET A 57 65.379 11.323 -3.733 1.00 1.00 H new ATOM 0 HB2 MET A 57 64.843 12.796 -5.699 1.00 1.00 H new ATOM 0 HB3 MET A 57 66.047 13.502 -4.640 1.00 1.00 H new ATOM 0 HG2 MET A 57 67.416 13.688 -6.455 1.00 1.00 H new ATOM 0 HG3 MET A 57 67.567 11.942 -6.441 1.00 1.00 H new ATOM 0 HE1 MET A 57 65.150 14.625 -9.216 1.00 1.00 H new ATOM 0 HE2 MET A 57 65.138 14.849 -7.451 1.00 1.00 H new ATOM 0 HE3 MET A 57 66.672 14.940 -8.349 1.00 1.00 H new ATOM 862 N GLU A 58 65.491 9.009 -5.042 1.00 1.00 N ATOM 863 CA GLU A 58 65.094 7.853 -5.900 1.00 1.00 C ATOM 864 C GLU A 58 63.699 7.374 -5.495 1.00 1.00 C ATOM 865 O GLU A 58 62.744 7.513 -6.234 1.00 1.00 O ATOM 866 CB GLU A 58 66.096 6.712 -5.711 1.00 1.00 C ATOM 867 CG GLU A 58 67.409 7.064 -6.412 1.00 1.00 C ATOM 868 CD GLU A 58 68.368 5.875 -6.328 1.00 1.00 C ATOM 869 OE1 GLU A 58 68.869 5.618 -5.245 1.00 1.00 O ATOM 870 OE2 GLU A 58 68.586 5.241 -7.347 1.00 1.00 O ATOM 0 H GLU A 58 65.651 8.782 -4.061 1.00 1.00 H new ATOM 0 HA GLU A 58 65.085 8.162 -6.945 1.00 1.00 H new ATOM 0 HB2 GLU A 58 66.273 6.541 -4.649 1.00 1.00 H new ATOM 0 HB3 GLU A 58 65.690 5.786 -6.119 1.00 1.00 H new ATOM 0 HG2 GLU A 58 67.220 7.319 -7.455 1.00 1.00 H new ATOM 0 HG3 GLU A 58 67.859 7.941 -5.946 1.00 1.00 H new ATOM 877 N GLY A 59 63.574 6.810 -4.325 1.00 1.00 N ATOM 878 CA GLY A 59 62.242 6.321 -3.871 1.00 1.00 C ATOM 879 C GLY A 59 62.413 5.479 -2.606 1.00 1.00 C ATOM 880 O GLY A 59 61.474 5.249 -1.869 1.00 1.00 O ATOM 0 H GLY A 59 64.337 6.667 -3.664 1.00 1.00 H new ATOM 0 HA2 GLY A 59 61.581 7.165 -3.673 1.00 1.00 H new ATOM 0 HA3 GLY A 59 61.774 5.727 -4.656 1.00 1.00 H new ATOM 884 N CYS A 60 63.606 5.018 -2.347 1.00 1.00 N ATOM 885 CA CYS A 60 63.837 4.193 -1.128 1.00 1.00 C ATOM 886 C CYS A 60 63.521 5.024 0.117 1.00 1.00 C ATOM 887 O CYS A 60 62.406 5.036 0.599 1.00 1.00 O ATOM 888 CB CYS A 60 65.299 3.743 -1.089 1.00 1.00 C ATOM 889 SG CYS A 60 65.731 2.959 -2.662 1.00 1.00 S ATOM 0 H CYS A 60 64.430 5.177 -2.927 1.00 1.00 H new ATOM 0 HA CYS A 60 63.189 3.317 -1.151 1.00 1.00 H new ATOM 0 HB2 CYS A 60 65.949 4.599 -0.906 1.00 1.00 H new ATOM 0 HB3 CYS A 60 65.454 3.044 -0.267 1.00 1.00 H new ATOM 894 N GLY A 61 64.491 5.725 0.643 1.00 1.00 N ATOM 895 CA GLY A 61 64.235 6.556 1.854 1.00 1.00 C ATOM 896 C GLY A 61 65.515 6.668 2.685 1.00 1.00 C ATOM 897 O GLY A 61 65.777 5.858 3.552 1.00 1.00 O ATOM 0 H GLY A 61 65.446 5.757 0.287 1.00 1.00 H new ATOM 0 HA2 GLY A 61 63.893 7.548 1.560 1.00 1.00 H new ATOM 0 HA3 GLY A 61 63.440 6.109 2.452 1.00 1.00 H new ATOM 901 N THR A 62 66.313 7.671 2.433 1.00 1.00 N ATOM 902 CA THR A 62 67.569 7.836 3.217 1.00 1.00 C ATOM 903 C THR A 62 67.229 8.440 4.582 1.00 1.00 C ATOM 904 O THR A 62 67.117 9.640 4.732 1.00 1.00 O ATOM 905 CB THR A 62 68.525 8.765 2.464 1.00 1.00 C ATOM 906 OG1 THR A 62 68.158 10.116 2.706 1.00 1.00 O ATOM 907 CG2 THR A 62 68.447 8.474 0.964 1.00 1.00 C ATOM 0 H THR A 62 66.149 8.381 1.720 1.00 1.00 H new ATOM 0 HA THR A 62 68.049 6.867 3.355 1.00 1.00 H new ATOM 0 HB THR A 62 69.544 8.597 2.811 1.00 1.00 H new ATOM 0 HG1 THR A 62 68.251 10.314 3.661 1.00 1.00 H new ATOM 0 HG21 THR A 62 69.128 9.136 0.429 1.00 1.00 H new ATOM 0 HG22 THR A 62 68.729 7.437 0.779 1.00 1.00 H new ATOM 0 HG23 THR A 62 67.429 8.641 0.613 1.00 1.00 H new ATOM 915 N ASP A 63 67.049 7.614 5.575 1.00 1.00 N ATOM 916 CA ASP A 63 66.700 8.135 6.926 1.00 1.00 C ATOM 917 C ASP A 63 67.901 8.859 7.542 1.00 1.00 C ATOM 918 O ASP A 63 67.773 9.539 8.540 1.00 1.00 O ATOM 919 CB ASP A 63 66.288 6.971 7.830 1.00 1.00 C ATOM 920 CG ASP A 63 65.521 7.510 9.039 1.00 1.00 C ATOM 921 OD1 ASP A 63 66.029 8.413 9.683 1.00 1.00 O ATOM 922 OD2 ASP A 63 64.440 7.009 9.301 1.00 1.00 O ATOM 0 H ASP A 63 67.129 6.599 5.509 1.00 1.00 H new ATOM 0 HA ASP A 63 65.873 8.839 6.831 1.00 1.00 H new ATOM 0 HB2 ASP A 63 65.666 6.268 7.275 1.00 1.00 H new ATOM 0 HB3 ASP A 63 67.171 6.423 8.161 1.00 1.00 H new ATOM 927 N ILE A 64 69.066 8.718 6.964 1.00 1.00 N ATOM 928 CA ILE A 64 70.268 9.403 7.532 1.00 1.00 C ATOM 929 C ILE A 64 70.982 10.199 6.439 1.00 1.00 C ATOM 930 O ILE A 64 71.750 11.096 6.721 1.00 1.00 O ATOM 931 CB ILE A 64 71.225 8.359 8.122 1.00 1.00 C ATOM 932 CG1 ILE A 64 70.865 8.110 9.588 1.00 1.00 C ATOM 933 CG2 ILE A 64 72.663 8.874 8.032 1.00 1.00 C ATOM 934 CD1 ILE A 64 71.746 6.992 10.148 1.00 1.00 C ATOM 0 H ILE A 64 69.238 8.161 6.127 1.00 1.00 H new ATOM 0 HA ILE A 64 69.950 10.087 8.318 1.00 1.00 H new ATOM 0 HB ILE A 64 71.137 7.428 7.561 1.00 1.00 H new ATOM 0 HG12 ILE A 64 71.005 9.022 10.168 1.00 1.00 H new ATOM 0 HG13 ILE A 64 69.813 7.836 9.674 1.00 1.00 H new ATOM 0 HG21 ILE A 64 73.342 8.132 8.451 1.00 1.00 H new ATOM 0 HG22 ILE A 64 72.921 9.053 6.988 1.00 1.00 H new ATOM 0 HG23 ILE A 64 72.752 9.805 8.592 1.00 1.00 H new ATOM 0 HD11 ILE A 64 71.489 6.815 11.192 1.00 1.00 H new ATOM 0 HD12 ILE A 64 71.584 6.079 9.575 1.00 1.00 H new ATOM 0 HD13 ILE A 64 72.794 7.284 10.076 1.00 1.00 H new ATOM 946 N THR A 65 70.750 9.868 5.200 1.00 1.00 N ATOM 947 CA THR A 65 71.427 10.591 4.084 1.00 1.00 C ATOM 948 C THR A 65 72.809 9.976 3.855 1.00 1.00 C ATOM 949 O THR A 65 73.154 9.605 2.751 1.00 1.00 O ATOM 950 CB THR A 65 71.568 12.085 4.418 1.00 1.00 C ATOM 951 OG1 THR A 65 70.500 12.481 5.267 1.00 1.00 O ATOM 952 CG2 THR A 65 71.528 12.905 3.127 1.00 1.00 C ATOM 0 H THR A 65 70.117 9.123 4.909 1.00 1.00 H new ATOM 0 HA THR A 65 70.826 10.496 3.179 1.00 1.00 H new ATOM 0 HB THR A 65 72.518 12.257 4.924 1.00 1.00 H new ATOM 0 HG1 THR A 65 70.807 12.488 6.198 1.00 1.00 H new ATOM 0 HG21 THR A 65 71.628 13.964 3.365 1.00 1.00 H new ATOM 0 HG22 THR A 65 72.348 12.600 2.477 1.00 1.00 H new ATOM 0 HG23 THR A 65 70.579 12.736 2.618 1.00 1.00 H new ATOM 960 N VAL A 66 73.604 9.851 4.888 1.00 1.00 N ATOM 961 CA VAL A 66 74.954 9.243 4.709 1.00 1.00 C ATOM 962 C VAL A 66 74.864 7.729 4.934 1.00 1.00 C ATOM 963 O VAL A 66 75.135 6.953 4.039 1.00 1.00 O ATOM 964 CB VAL A 66 75.971 9.869 5.681 1.00 1.00 C ATOM 965 CG1 VAL A 66 76.414 11.233 5.149 1.00 1.00 C ATOM 966 CG2 VAL A 66 75.319 10.046 7.054 1.00 1.00 C ATOM 0 H VAL A 66 73.378 10.141 5.839 1.00 1.00 H new ATOM 0 HA VAL A 66 75.297 9.439 3.693 1.00 1.00 H new ATOM 0 HB VAL A 66 76.838 9.215 5.770 1.00 1.00 H new ATOM 0 HG11 VAL A 66 77.134 11.676 5.837 1.00 1.00 H new ATOM 0 HG12 VAL A 66 76.877 11.109 4.170 1.00 1.00 H new ATOM 0 HG13 VAL A 66 75.547 11.888 5.060 1.00 1.00 H new ATOM 0 HG21 VAL A 66 76.038 10.489 7.744 1.00 1.00 H new ATOM 0 HG22 VAL A 66 74.452 10.700 6.963 1.00 1.00 H new ATOM 0 HG23 VAL A 66 75.002 9.075 7.434 1.00 1.00 H new ATOM 976 N ILE A 67 74.484 7.291 6.112 1.00 1.00 N ATOM 977 CA ILE A 67 74.382 5.820 6.355 1.00 1.00 C ATOM 978 C ILE A 67 73.087 5.475 7.108 1.00 1.00 C ATOM 979 O ILE A 67 73.060 5.406 8.320 1.00 1.00 O ATOM 980 CB ILE A 67 75.584 5.359 7.184 1.00 1.00 C ATOM 981 CG1 ILE A 67 76.859 5.494 6.349 1.00 1.00 C ATOM 982 CG2 ILE A 67 75.394 3.896 7.590 1.00 1.00 C ATOM 983 CD1 ILE A 67 78.081 5.272 7.243 1.00 1.00 C ATOM 0 H ILE A 67 74.243 7.883 6.907 1.00 1.00 H new ATOM 0 HA ILE A 67 74.370 5.311 5.391 1.00 1.00 H new ATOM 0 HB ILE A 67 75.667 5.976 8.079 1.00 1.00 H new ATOM 0 HG12 ILE A 67 76.853 4.767 5.537 1.00 1.00 H new ATOM 0 HG13 ILE A 67 76.904 6.483 5.892 1.00 1.00 H new ATOM 0 HG21 ILE A 67 76.250 3.568 8.180 1.00 1.00 H new ATOM 0 HG22 ILE A 67 74.485 3.798 8.184 1.00 1.00 H new ATOM 0 HG23 ILE A 67 75.312 3.278 6.696 1.00 1.00 H new ATOM 0 HD11 ILE A 67 78.989 5.368 6.648 1.00 1.00 H new ATOM 0 HD12 ILE A 67 78.089 6.016 8.040 1.00 1.00 H new ATOM 0 HD13 ILE A 67 78.037 4.274 7.679 1.00 1.00 H new ATOM 995 N CYS A 68 72.025 5.223 6.391 1.00 1.00 N ATOM 996 CA CYS A 68 70.740 4.840 7.044 1.00 1.00 C ATOM 997 C CYS A 68 70.910 3.475 7.722 1.00 1.00 C ATOM 998 O CYS A 68 71.770 2.699 7.356 1.00 1.00 O ATOM 999 CB CYS A 68 69.637 4.754 5.980 1.00 1.00 C ATOM 1000 SG CYS A 68 70.207 5.548 4.457 1.00 1.00 S ATOM 0 H CYS A 68 71.993 5.266 5.372 1.00 1.00 H new ATOM 0 HA CYS A 68 70.465 5.586 7.790 1.00 1.00 H new ATOM 0 HB2 CYS A 68 69.383 3.712 5.787 1.00 1.00 H new ATOM 0 HB3 CYS A 68 68.731 5.241 6.340 1.00 1.00 H new ATOM 1005 N PRO A 69 70.096 3.178 8.705 1.00 1.00 N ATOM 1006 CA PRO A 69 70.164 1.878 9.441 1.00 1.00 C ATOM 1007 C PRO A 69 70.031 0.676 8.501 1.00 1.00 C ATOM 1008 O PRO A 69 70.541 -0.393 8.772 1.00 1.00 O ATOM 1009 CB PRO A 69 68.983 1.932 10.426 1.00 1.00 C ATOM 1010 CG PRO A 69 68.114 3.056 9.962 1.00 1.00 C ATOM 1011 CD PRO A 69 69.021 4.037 9.220 1.00 1.00 C ATOM 0 HA PRO A 69 71.125 1.750 9.939 1.00 1.00 H new ATOM 0 HB2 PRO A 69 68.434 0.990 10.430 1.00 1.00 H new ATOM 0 HB3 PRO A 69 69.331 2.102 11.445 1.00 1.00 H new ATOM 0 HG2 PRO A 69 67.324 2.689 9.307 1.00 1.00 H new ATOM 0 HG3 PRO A 69 67.627 3.543 10.807 1.00 1.00 H new ATOM 0 HD2 PRO A 69 68.491 4.545 8.414 1.00 1.00 H new ATOM 0 HD3 PRO A 69 69.407 4.810 9.885 1.00 1.00 H new ATOM 1019 N TRP A 70 69.354 0.841 7.397 1.00 1.00 N ATOM 1020 CA TRP A 70 69.200 -0.294 6.444 1.00 1.00 C ATOM 1021 C TRP A 70 70.545 -0.561 5.767 1.00 1.00 C ATOM 1022 O TRP A 70 70.638 -0.649 4.558 1.00 1.00 O ATOM 1023 CB TRP A 70 68.150 0.059 5.388 1.00 1.00 C ATOM 1024 CG TRP A 70 67.940 -1.112 4.482 1.00 1.00 C ATOM 1025 CD1 TRP A 70 67.609 -2.359 4.889 1.00 1.00 C ATOM 1026 CD2 TRP A 70 68.041 -1.168 3.029 1.00 1.00 C ATOM 1027 NE1 TRP A 70 67.499 -3.177 3.780 1.00 1.00 N ATOM 1028 CE2 TRP A 70 67.756 -2.491 2.610 1.00 1.00 C ATOM 1029 CE3 TRP A 70 68.347 -0.212 2.045 1.00 1.00 C ATOM 1030 CZ2 TRP A 70 67.776 -2.850 1.260 1.00 1.00 C ATOM 1031 CZ3 TRP A 70 68.368 -0.569 0.689 1.00 1.00 C ATOM 1032 CH2 TRP A 70 68.083 -1.884 0.296 1.00 1.00 C ATOM 0 H TRP A 70 68.902 1.711 7.115 1.00 1.00 H new ATOM 0 HA TRP A 70 68.877 -1.185 6.981 1.00 1.00 H new ATOM 0 HB2 TRP A 70 67.211 0.332 5.870 1.00 1.00 H new ATOM 0 HB3 TRP A 70 68.476 0.925 4.811 1.00 1.00 H new ATOM 0 HD1 TRP A 70 67.456 -2.665 5.913 1.00 1.00 H new ATOM 0 HE1 TRP A 70 67.257 -4.167 3.821 1.00 1.00 H new ATOM 0 HE3 TRP A 70 68.567 0.805 2.335 1.00 1.00 H new ATOM 0 HZ2 TRP A 70 67.556 -3.865 0.963 1.00 1.00 H new ATOM 0 HZ3 TRP A 70 68.605 0.174 -0.058 1.00 1.00 H new ATOM 0 HH2 TRP A 70 68.100 -2.151 -0.750 1.00 1.00 H new ATOM 1043 N GLU A 71 71.589 -0.684 6.544 1.00 1.00 N ATOM 1044 CA GLU A 71 72.941 -0.939 5.967 1.00 1.00 C ATOM 1045 C GLU A 71 73.611 -2.081 6.736 1.00 1.00 C ATOM 1046 O GLU A 71 74.370 -2.853 6.184 1.00 1.00 O ATOM 1047 CB GLU A 71 73.786 0.337 6.091 1.00 1.00 C ATOM 1048 CG GLU A 71 73.755 1.101 4.766 1.00 1.00 C ATOM 1049 CD GLU A 71 74.730 0.455 3.780 1.00 1.00 C ATOM 1050 OE1 GLU A 71 74.430 -0.627 3.303 1.00 1.00 O ATOM 1051 OE2 GLU A 71 75.761 1.053 3.519 1.00 1.00 O ATOM 0 H GLU A 71 71.562 -0.618 7.562 1.00 1.00 H new ATOM 0 HA GLU A 71 72.853 -1.216 4.917 1.00 1.00 H new ATOM 0 HB2 GLU A 71 73.400 0.965 6.894 1.00 1.00 H new ATOM 0 HB3 GLU A 71 74.813 0.082 6.352 1.00 1.00 H new ATOM 0 HG2 GLU A 71 72.746 1.094 4.353 1.00 1.00 H new ATOM 0 HG3 GLU A 71 74.025 2.144 4.929 1.00 1.00 H new ATOM 1058 N ALA A 72 73.333 -2.197 8.006 1.00 1.00 N ATOM 1059 CA ALA A 72 73.950 -3.290 8.809 1.00 1.00 C ATOM 1060 C ALA A 72 73.352 -4.633 8.383 1.00 1.00 C ATOM 1061 O ALA A 72 73.272 -5.564 9.160 1.00 1.00 O ATOM 1062 CB ALA A 72 73.663 -3.053 10.291 1.00 1.00 C ATOM 0 H ALA A 72 72.705 -1.581 8.522 1.00 1.00 H new ATOM 0 HA ALA A 72 75.027 -3.302 8.643 1.00 1.00 H new ATOM 0 HB1 ALA A 72 74.113 -3.851 10.881 1.00 1.00 H new ATOM 0 HB2 ALA A 72 74.085 -2.095 10.595 1.00 1.00 H new ATOM 0 HB3 ALA A 72 72.586 -3.043 10.456 1.00 1.00 H new ATOM 1068 N CYS A 73 72.925 -4.736 7.156 1.00 1.00 N ATOM 1069 CA CYS A 73 72.323 -6.012 6.674 1.00 1.00 C ATOM 1070 C CYS A 73 73.437 -7.005 6.332 1.00 1.00 C ATOM 1071 O CYS A 73 73.339 -8.183 6.614 1.00 1.00 O ATOM 1072 CB CYS A 73 71.471 -5.729 5.429 1.00 1.00 C ATOM 1073 SG CYS A 73 72.113 -6.676 4.026 1.00 1.00 S ATOM 0 HA CYS A 73 71.692 -6.441 7.453 1.00 1.00 H new ATOM 0 HB2 CYS A 73 70.432 -5.999 5.618 1.00 1.00 H new ATOM 0 HB3 CYS A 73 71.487 -4.664 5.199 1.00 1.00 H new ATOM 1078 N ASN A 74 74.491 -6.542 5.720 1.00 1.00 N ATOM 1079 CA ASN A 74 75.606 -7.462 5.356 1.00 1.00 C ATOM 1080 C ASN A 74 75.048 -8.670 4.598 1.00 1.00 C ATOM 1081 O ASN A 74 74.256 -8.531 3.687 1.00 1.00 O ATOM 1082 CB ASN A 74 76.311 -7.936 6.628 1.00 1.00 C ATOM 1083 CG ASN A 74 76.655 -6.728 7.501 1.00 1.00 C ATOM 1084 OD1 ASN A 74 76.229 -5.624 7.226 1.00 1.00 O ATOM 1085 ND2 ASN A 74 77.414 -6.891 8.550 1.00 1.00 N ATOM 0 HA ASN A 74 76.318 -6.935 4.721 1.00 1.00 H new ATOM 0 HB2 ASN A 74 75.669 -8.624 7.178 1.00 1.00 H new ATOM 0 HB3 ASN A 74 77.218 -8.483 6.371 1.00 1.00 H new ATOM 0 HD21 ASN A 74 77.649 -6.092 9.138 1.00 1.00 H new ATOM 0 HD22 ASN A 74 77.772 -7.818 8.781 1.00 1.00 H new ATOM 1092 N HIS A 75 75.458 -9.856 4.965 1.00 1.00 N ATOM 1093 CA HIS A 75 74.954 -11.074 4.265 1.00 1.00 C ATOM 1094 C HIS A 75 75.169 -10.924 2.758 1.00 1.00 C ATOM 1095 O HIS A 75 74.300 -10.474 2.039 1.00 1.00 O ATOM 1096 CB HIS A 75 73.461 -11.255 4.552 1.00 1.00 C ATOM 1097 CG HIS A 75 72.953 -12.464 3.816 1.00 1.00 C ATOM 1098 ND1 HIS A 75 73.807 -13.383 3.225 1.00 1.00 N ATOM 1099 CD2 HIS A 75 71.680 -12.919 3.567 1.00 1.00 C ATOM 1100 CE1 HIS A 75 73.048 -14.336 2.655 1.00 1.00 C ATOM 1101 NE2 HIS A 75 71.747 -14.100 2.834 1.00 1.00 N ATOM 0 H HIS A 75 76.121 -10.034 5.720 1.00 1.00 H new ATOM 0 HA HIS A 75 75.499 -11.947 4.625 1.00 1.00 H new ATOM 0 HB2 HIS A 75 73.297 -11.372 5.623 1.00 1.00 H new ATOM 0 HB3 HIS A 75 72.910 -10.368 4.241 1.00 1.00 H new ATOM 0 HD2 HIS A 75 70.770 -12.435 3.890 1.00 1.00 H new ATOM 0 HE1 HIS A 75 73.443 -15.187 2.119 1.00 1.00 H new ATOM 0 HE2 HIS A 75 70.966 -14.666 2.503 1.00 1.00 H new ATOM 1110 N CYS A 76 76.322 -11.302 2.276 1.00 1.00 N ATOM 1111 CA CYS A 76 76.600 -11.186 0.820 1.00 1.00 C ATOM 1112 C CYS A 76 78.003 -11.723 0.536 1.00 1.00 C ATOM 1113 O CYS A 76 78.798 -11.919 1.434 1.00 1.00 O ATOM 1114 CB CYS A 76 76.507 -9.716 0.400 1.00 1.00 C ATOM 1115 SG CYS A 76 77.348 -9.483 -1.186 1.00 1.00 S ATOM 0 H CYS A 76 77.085 -11.687 2.832 1.00 1.00 H new ATOM 0 HA CYS A 76 75.870 -11.764 0.254 1.00 1.00 H new ATOM 0 HB2 CYS A 76 75.462 -9.417 0.316 1.00 1.00 H new ATOM 0 HB3 CYS A 76 76.961 -9.081 1.161 1.00 1.00 H new ATOM 1120 N GLU A 77 78.303 -11.981 -0.701 1.00 1.00 N ATOM 1121 CA GLU A 77 79.645 -12.527 -1.054 1.00 1.00 C ATOM 1122 C GLU A 77 80.727 -11.464 -0.830 1.00 1.00 C ATOM 1123 O GLU A 77 81.629 -11.309 -1.629 1.00 1.00 O ATOM 1124 CB GLU A 77 79.642 -12.958 -2.525 1.00 1.00 C ATOM 1125 CG GLU A 77 80.737 -14.001 -2.756 1.00 1.00 C ATOM 1126 CD GLU A 77 80.676 -14.493 -4.203 1.00 1.00 C ATOM 1127 OE1 GLU A 77 79.882 -15.379 -4.474 1.00 1.00 O ATOM 1128 OE2 GLU A 77 81.426 -13.977 -5.016 1.00 1.00 O ATOM 0 H GLU A 77 77.674 -11.837 -1.491 1.00 1.00 H new ATOM 0 HA GLU A 77 79.861 -13.385 -0.418 1.00 1.00 H new ATOM 0 HB2 GLU A 77 78.669 -13.372 -2.791 1.00 1.00 H new ATOM 0 HB3 GLU A 77 79.807 -12.094 -3.168 1.00 1.00 H new ATOM 0 HG2 GLU A 77 81.716 -13.568 -2.549 1.00 1.00 H new ATOM 0 HG3 GLU A 77 80.607 -14.838 -2.070 1.00 1.00 H new ATOM 1135 N LEU A 78 80.654 -10.740 0.254 1.00 1.00 N ATOM 1136 CA LEU A 78 81.688 -9.702 0.530 1.00 1.00 C ATOM 1137 C LEU A 78 81.501 -9.167 1.951 1.00 1.00 C ATOM 1138 O LEU A 78 80.406 -8.843 2.365 1.00 1.00 O ATOM 1139 CB LEU A 78 81.567 -8.560 -0.489 1.00 1.00 C ATOM 1140 CG LEU A 78 80.288 -7.763 -0.226 1.00 1.00 C ATOM 1141 CD1 LEU A 78 80.619 -6.528 0.614 1.00 1.00 C ATOM 1142 CD2 LEU A 78 79.680 -7.323 -1.559 1.00 1.00 C ATOM 0 H LEU A 78 79.923 -10.823 0.960 1.00 1.00 H new ATOM 0 HA LEU A 78 82.681 -10.143 0.441 1.00 1.00 H new ATOM 0 HB2 LEU A 78 82.435 -7.905 -0.419 1.00 1.00 H new ATOM 0 HB3 LEU A 78 81.553 -8.964 -1.501 1.00 1.00 H new ATOM 0 HG LEU A 78 79.575 -8.388 0.312 1.00 1.00 H new ATOM 0 HD11 LEU A 78 79.708 -5.960 0.801 1.00 1.00 H new ATOM 0 HD12 LEU A 78 81.054 -6.840 1.564 1.00 1.00 H new ATOM 0 HD13 LEU A 78 81.332 -5.903 0.076 1.00 1.00 H new ATOM 0 HD21 LEU A 78 78.768 -6.755 -1.373 1.00 1.00 H new ATOM 0 HD22 LEU A 78 80.394 -6.698 -2.096 1.00 1.00 H new ATOM 0 HD23 LEU A 78 79.444 -8.202 -2.159 1.00 1.00 H new ATOM 1154 N HIS A 79 82.562 -9.076 2.705 1.00 1.00 N ATOM 1155 CA HIS A 79 82.438 -8.567 4.100 1.00 1.00 C ATOM 1156 C HIS A 79 83.801 -8.621 4.792 1.00 1.00 C ATOM 1157 O HIS A 79 84.069 -9.500 5.586 1.00 1.00 O ATOM 1158 CB HIS A 79 81.441 -9.434 4.873 1.00 1.00 C ATOM 1159 CG HIS A 79 81.545 -10.858 4.401 1.00 1.00 C ATOM 1160 ND1 HIS A 79 82.767 -11.478 4.187 1.00 1.00 N ATOM 1161 CD2 HIS A 79 80.589 -11.797 4.098 1.00 1.00 C ATOM 1162 CE1 HIS A 79 82.520 -12.734 3.774 1.00 1.00 C ATOM 1163 NE2 HIS A 79 81.210 -12.978 3.703 1.00 1.00 N ATOM 0 H HIS A 79 83.507 -9.331 2.417 1.00 1.00 H new ATOM 0 HA HIS A 79 82.085 -7.536 4.077 1.00 1.00 H new ATOM 0 HB2 HIS A 79 81.646 -9.378 5.942 1.00 1.00 H new ATOM 0 HB3 HIS A 79 80.427 -9.063 4.723 1.00 1.00 H new ATOM 0 HD1 HIS A 79 83.687 -11.057 4.319 1.00 1.00 H new ATOM 0 HD2 HIS A 79 79.522 -11.643 4.157 1.00 1.00 H new ATOM 0 HE1 HIS A 79 83.286 -13.455 3.530 1.00 1.00 H new ATOM 1172 N GLU A 80 84.663 -7.686 4.502 1.00 1.00 N ATOM 1173 CA GLU A 80 86.005 -7.685 5.149 1.00 1.00 C ATOM 1174 C GLU A 80 85.931 -6.896 6.459 1.00 1.00 C ATOM 1175 O GLU A 80 85.731 -7.455 7.519 1.00 1.00 O ATOM 1176 CB GLU A 80 87.021 -7.030 4.211 1.00 1.00 C ATOM 1177 CG GLU A 80 87.148 -7.864 2.934 1.00 1.00 C ATOM 1178 CD GLU A 80 87.963 -9.125 3.227 1.00 1.00 C ATOM 1179 OE1 GLU A 80 89.179 -9.039 3.209 1.00 1.00 O ATOM 1180 OE2 GLU A 80 87.355 -10.156 3.465 1.00 1.00 O ATOM 0 H GLU A 80 84.496 -6.923 3.846 1.00 1.00 H new ATOM 0 HA GLU A 80 86.315 -8.709 5.357 1.00 1.00 H new ATOM 0 HB2 GLU A 80 86.705 -6.016 3.966 1.00 1.00 H new ATOM 0 HB3 GLU A 80 87.990 -6.951 4.705 1.00 1.00 H new ATOM 0 HG2 GLU A 80 86.159 -8.135 2.564 1.00 1.00 H new ATOM 0 HG3 GLU A 80 87.632 -7.279 2.152 1.00 1.00 H new ATOM 1187 N LEU A 81 86.084 -5.601 6.392 1.00 1.00 N ATOM 1188 CA LEU A 81 86.017 -4.769 7.631 1.00 1.00 C ATOM 1189 C LEU A 81 84.620 -4.145 7.738 1.00 1.00 C ATOM 1190 O LEU A 81 84.438 -3.108 8.343 1.00 1.00 O ATOM 1191 CB LEU A 81 87.088 -3.663 7.583 1.00 1.00 C ATOM 1192 CG LEU A 81 87.507 -3.417 6.133 1.00 1.00 C ATOM 1193 CD1 LEU A 81 88.107 -2.015 6.005 1.00 1.00 C ATOM 1194 CD2 LEU A 81 88.551 -4.457 5.721 1.00 1.00 C ATOM 0 H LEU A 81 86.253 -5.081 5.531 1.00 1.00 H new ATOM 0 HA LEU A 81 86.205 -5.395 8.503 1.00 1.00 H new ATOM 0 HB2 LEU A 81 86.696 -2.744 8.020 1.00 1.00 H new ATOM 0 HB3 LEU A 81 87.954 -3.955 8.178 1.00 1.00 H new ATOM 0 HG LEU A 81 86.635 -3.499 5.484 1.00 1.00 H new ATOM 0 HD11 LEU A 81 88.406 -1.840 4.971 1.00 1.00 H new ATOM 0 HD12 LEU A 81 87.364 -1.273 6.299 1.00 1.00 H new ATOM 0 HD13 LEU A 81 88.979 -1.932 6.654 1.00 1.00 H new ATOM 0 HD21 LEU A 81 88.850 -4.282 4.688 1.00 1.00 H new ATOM 0 HD22 LEU A 81 89.423 -4.374 6.370 1.00 1.00 H new ATOM 0 HD23 LEU A 81 88.125 -5.456 5.811 1.00 1.00 H new ATOM 1206 N ALA A 82 83.634 -4.771 7.150 1.00 1.00 N ATOM 1207 CA ALA A 82 82.247 -4.220 7.211 1.00 1.00 C ATOM 1208 C ALA A 82 81.914 -3.830 8.651 1.00 1.00 C ATOM 1209 O ALA A 82 81.376 -4.611 9.410 1.00 1.00 O ATOM 1210 CB ALA A 82 81.258 -5.284 6.730 1.00 1.00 C ATOM 0 H ALA A 82 83.730 -5.642 6.629 1.00 1.00 H new ATOM 0 HA ALA A 82 82.177 -3.340 6.572 1.00 1.00 H new ATOM 0 HB1 ALA A 82 80.245 -4.885 6.773 1.00 1.00 H new ATOM 0 HB2 ALA A 82 81.495 -5.563 5.703 1.00 1.00 H new ATOM 0 HB3 ALA A 82 81.329 -6.163 7.370 1.00 1.00 H new ATOM 1216 N GLN A 83 82.235 -2.625 9.034 1.00 1.00 N ATOM 1217 CA GLN A 83 81.945 -2.180 10.424 1.00 1.00 C ATOM 1218 C GLN A 83 81.777 -0.660 10.449 1.00 1.00 C ATOM 1219 O GLN A 83 80.733 -0.149 10.803 1.00 1.00 O ATOM 1220 CB GLN A 83 83.109 -2.570 11.334 1.00 1.00 C ATOM 1221 CG GLN A 83 83.121 -4.087 11.530 1.00 1.00 C ATOM 1222 CD GLN A 83 84.138 -4.455 12.612 1.00 1.00 C ATOM 1223 OE1 GLN A 83 84.858 -3.514 13.160 1.00 1.00 O flip ATOM 1224 NE2 GLN A 83 84.280 -5.610 12.962 1.00 1.00 N flip ATOM 0 H GLN A 83 82.687 -1.928 8.442 1.00 1.00 H new ATOM 0 HA GLN A 83 81.028 -2.656 10.773 1.00 1.00 H new ATOM 0 HB2 GLN A 83 84.052 -2.242 10.896 1.00 1.00 H new ATOM 0 HB3 GLN A 83 83.014 -2.069 12.298 1.00 1.00 H new ATOM 0 HG2 GLN A 83 82.128 -4.435 11.816 1.00 1.00 H new ATOM 0 HG3 GLN A 83 83.375 -4.583 10.593 1.00 1.00 H new ATOM 0 HE21 GLN A 83 83.718 -6.345 12.534 1.00 1.00 H new ATOM 0 HE22 GLN A 83 84.962 -5.844 13.684 1.00 1.00 H new ATOM 1233 N TYR A 84 82.799 0.066 10.080 1.00 1.00 N ATOM 1234 CA TYR A 84 82.703 1.555 10.089 1.00 1.00 C ATOM 1235 C TYR A 84 83.772 2.148 9.169 1.00 1.00 C ATOM 1236 O TYR A 84 84.760 2.689 9.624 1.00 1.00 O ATOM 1237 CB TYR A 84 82.936 2.074 11.509 1.00 1.00 C ATOM 1238 CG TYR A 84 82.048 1.327 12.475 1.00 1.00 C ATOM 1239 CD1 TYR A 84 80.699 1.680 12.602 1.00 1.00 C ATOM 1240 CD2 TYR A 84 82.573 0.280 13.242 1.00 1.00 C ATOM 1241 CE1 TYR A 84 79.876 0.987 13.498 1.00 1.00 C ATOM 1242 CE2 TYR A 84 81.750 -0.413 14.138 1.00 1.00 C ATOM 1243 CZ TYR A 84 80.401 -0.059 14.265 1.00 1.00 C ATOM 1244 OH TYR A 84 79.589 -0.743 15.148 1.00 1.00 O ATOM 0 H TYR A 84 83.697 -0.308 9.773 1.00 1.00 H new ATOM 0 HA TYR A 84 81.712 1.848 9.742 1.00 1.00 H new ATOM 0 HB2 TYR A 84 83.982 1.945 11.787 1.00 1.00 H new ATOM 0 HB3 TYR A 84 82.723 3.142 11.556 1.00 1.00 H new ATOM 0 HD1 TYR A 84 80.293 2.486 12.009 1.00 1.00 H new ATOM 0 HD2 TYR A 84 83.613 0.007 13.143 1.00 1.00 H new ATOM 0 HE1 TYR A 84 78.836 1.260 13.597 1.00 1.00 H new ATOM 0 HE2 TYR A 84 82.155 -1.220 14.731 1.00 1.00 H new ATOM 0 HH TYR A 84 80.110 -1.439 15.600 1.00 1.00 H new ATOM 1254 N GLY A 85 83.587 2.059 7.882 1.00 1.00 N ATOM 1255 CA GLY A 85 84.603 2.630 6.953 1.00 1.00 C ATOM 1256 C GLY A 85 84.391 2.075 5.545 1.00 1.00 C ATOM 1257 O GLY A 85 84.206 2.815 4.598 1.00 1.00 O ATOM 0 H GLY A 85 82.783 1.619 7.435 1.00 1.00 H new ATOM 0 HA2 GLY A 85 84.526 3.717 6.940 1.00 1.00 H new ATOM 0 HA3 GLY A 85 85.606 2.385 7.302 1.00 1.00 H new ATOM 1261 N ILE A 86 84.421 0.780 5.397 1.00 1.00 N ATOM 1262 CA ILE A 86 84.226 0.184 4.043 1.00 1.00 C ATOM 1263 C ILE A 86 82.752 0.319 3.637 1.00 1.00 C ATOM 1264 O ILE A 86 82.189 1.394 3.686 1.00 1.00 O ATOM 1265 CB ILE A 86 84.658 -1.292 4.067 1.00 1.00 C ATOM 1266 CG1 ILE A 86 84.745 -1.820 2.633 1.00 1.00 C ATOM 1267 CG2 ILE A 86 83.631 -2.113 4.849 1.00 1.00 C ATOM 1268 CD1 ILE A 86 84.977 -3.332 2.658 1.00 1.00 C ATOM 0 H ILE A 86 84.571 0.110 6.151 1.00 1.00 H new ATOM 0 HA ILE A 86 84.837 0.710 3.310 1.00 1.00 H new ATOM 0 HB ILE A 86 85.633 -1.377 4.547 1.00 1.00 H new ATOM 0 HG12 ILE A 86 83.826 -1.592 2.094 1.00 1.00 H new ATOM 0 HG13 ILE A 86 85.558 -1.326 2.101 1.00 1.00 H new ATOM 0 HG21 ILE A 86 83.938 -3.159 4.866 1.00 1.00 H new ATOM 0 HG22 ILE A 86 83.566 -1.738 5.870 1.00 1.00 H new ATOM 0 HG23 ILE A 86 82.656 -2.028 4.369 1.00 1.00 H new ATOM 0 HD11 ILE A 86 85.039 -3.708 1.637 1.00 1.00 H new ATOM 0 HD12 ILE A 86 85.908 -3.549 3.181 1.00 1.00 H new ATOM 0 HD13 ILE A 86 84.149 -3.819 3.174 1.00 1.00 H new ATOM 1280 N CYS A 87 82.118 -0.749 3.236 1.00 1.00 N ATOM 1281 CA CYS A 87 80.687 -0.647 2.834 1.00 1.00 C ATOM 1282 C CYS A 87 79.848 -0.237 4.047 1.00 1.00 C ATOM 1283 CB CYS A 87 80.203 -2.002 2.302 1.00 1.00 C ATOM 1284 SG CYS A 87 78.419 -2.156 2.565 1.00 1.00 S ATOM 0 H CYS A 87 82.526 -1.682 3.170 1.00 1.00 H new ATOM 0 HA CYS A 87 80.581 0.103 2.050 1.00 1.00 H new ATOM 0 HB2 CYS A 87 80.433 -2.090 1.240 1.00 1.00 H new ATOM 0 HB3 CYS A 87 80.727 -2.812 2.810 1.00 1.00 H new TER 1289 CYS A 87 HETATM 1290 C1C RCY A 110 62.831 -8.543 6.790 1.00 1.00 C HETATM 1291 O1G RCY A 110 63.111 -12.248 9.712 1.00 1.00 O HETATM 1292 O1H RCY A 110 60.499 -8.360 9.106 1.00 1.00 O HETATM 1293 O1J RCY A 110 65.313 -10.248 6.802 1.00 1.00 O HETATM 1294 C1L RCY A 110 62.339 -10.495 11.235 1.00 1.00 C HETATM 1295 C1M RCY A 110 61.983 -12.137 7.038 1.00 1.00 C HETATM 1296 C1P RCY A 110 62.511 -11.187 9.876 1.00 1.00 C HETATM 1297 C1Q RCY A 110 61.369 -9.145 9.484 1.00 1.00 C HETATM 1298 N1R RCY A 110 61.845 -10.394 8.753 1.00 1.00 N HETATM 1299 C1S RCY A 110 62.168 -9.045 10.770 1.00 1.00 C HETATM 1300 C1U RCY A 110 61.691 -10.752 7.273 1.00 1.00 C HETATM 1301 C1V RCY A 110 62.324 -10.150 4.896 1.00 1.00 C HETATM 1302 N1V RCY A 110 63.957 -10.778 6.688 1.00 1.00 N HETATM 1303 C1W RCY A 110 63.503 -12.227 6.854 1.00 1.00 C HETATM 1304 C1X RCY A 110 62.681 -10.009 6.377 1.00 1.00 C HETATM 1305 C1Y RCY A 110 63.847 -13.042 5.604 1.00 1.00 C HETATM 1306 C1Z RCY A 110 64.178 -12.825 8.089 1.00 1.00 C HETATM 0 H1ZB RCY A 110 63.971 -12.198 8.956 1.00 1.00 H new HETATM 0 H1ZA RCY A 110 63.790 -13.828 8.265 1.00 1.00 H new HETATM 0 H1YB RCY A 110 63.443 -14.050 5.704 1.00 1.00 H new HETATM 0 H1YA RCY A 110 63.413 -12.563 4.726 1.00 1.00 H new HETATM 0 H1VB RCY A 110 61.380 -9.642 4.699 1.00 1.00 H new HETATM 0 H1VA RCY A 110 63.110 -9.703 4.288 1.00 1.00 H new HETATM 0 H1MA RCY A 110 61.655 -12.752 7.876 1.00 1.00 H new HETATM 0 H1LA RCY A 110 61.472 -10.862 11.784 1.00 1.00 H new HETATM 0 H1CB RCY A 110 61.864 -8.044 6.719 1.00 1.00 H new HETATM 0 H1CA RCY A 110 63.192 -8.489 7.817 1.00 1.00 H new HETATM 0 H1Z RCY A 110 65.255 -12.875 7.927 1.00 1.00 H new HETATM 0 H1Y RCY A 110 64.930 -13.095 5.490 1.00 1.00 H new HETATM 0 H1V RCY A 110 62.227 -11.206 4.644 1.00 1.00 H new HETATM 0 H1U RCY A 110 60.660 -10.487 7.038 1.00 1.00 H new HETATM 0 H1S RCY A 110 63.133 -8.567 10.601 1.00 1.00 H new HETATM 0 H1M RCY A 110 61.461 -12.500 6.153 1.00 1.00 H new HETATM 0 H1L RCY A 110 63.206 -10.626 11.883 1.00 1.00 H new HETATM 0 H1C RCY A 110 63.543 -8.050 6.129 1.00 1.00 H new HETATM 1309 C1C RCY A 121 66.005 -7.390 -6.382 1.00 1.00 C HETATM 1310 O1G RCY A 121 62.586 -7.627 -10.368 1.00 1.00 O HETATM 1311 O1H RCY A 121 64.651 -9.087 -6.379 1.00 1.00 O HETATM 1312 O1J RCY A 121 67.913 -7.623 -8.700 1.00 1.00 O HETATM 1313 C1L RCY A 121 62.638 -9.776 -9.198 1.00 1.00 C HETATM 1314 C1M RCY A 121 64.675 -5.685 -9.385 1.00 1.00 C HETATM 1315 C1P RCY A 121 63.004 -8.304 -9.430 1.00 1.00 C HETATM 1316 C1Q RCY A 121 64.223 -9.039 -7.532 1.00 1.00 C HETATM 1317 N1R RCY A 121 63.951 -7.783 -8.350 1.00 1.00 N HETATM 1318 C1S RCY A 121 63.869 -10.230 -8.405 1.00 1.00 C HETATM 1319 C1U RCY A 121 64.493 -6.368 -8.136 1.00 1.00 C HETATM 1320 C1V RCY A 121 66.279 -4.955 -7.030 1.00 1.00 C HETATM 1321 N1V RCY A 121 66.729 -6.768 -8.697 1.00 1.00 N HETATM 1322 C1W RCY A 121 66.064 -6.090 -9.894 1.00 1.00 C HETATM 1323 C1X RCY A 121 65.882 -6.355 -7.502 1.00 1.00 C HETATM 1324 C1Y RCY A 121 66.862 -4.855 -10.321 1.00 1.00 C HETATM 1325 C1Z RCY A 121 65.964 -7.092 -11.045 1.00 1.00 C HETATM 0 H1ZB RCY A 121 65.445 -7.988 -10.703 1.00 1.00 H new HETATM 0 H1ZA RCY A 121 65.410 -6.644 -11.870 1.00 1.00 H new HETATM 0 H1YB RCY A 121 66.331 -4.337 -11.119 1.00 1.00 H new HETATM 0 H1YA RCY A 121 66.980 -4.185 -9.469 1.00 1.00 H new HETATM 0 H1VB RCY A 121 65.629 -4.650 -6.210 1.00 1.00 H new HETATM 0 H1VA RCY A 121 67.314 -4.966 -6.688 1.00 1.00 H new HETATM 0 H1MA RCY A 121 63.901 -5.966 -10.099 1.00 1.00 H new HETATM 0 H1LA RCY A 121 61.712 -9.892 -8.634 1.00 1.00 H new HETATM 0 H1CB RCY A 121 65.272 -7.174 -5.605 1.00 1.00 H new HETATM 0 H1CA RCY A 121 65.823 -8.386 -6.785 1.00 1.00 H new HETATM 0 H1Z RCY A 121 66.965 -7.359 -11.383 1.00 1.00 H new HETATM 0 H1Y RCY A 121 67.844 -5.163 -10.679 1.00 1.00 H new HETATM 0 H1V RCY A 121 66.177 -4.250 -7.855 1.00 1.00 H new HETATM 0 H1U RCY A 121 63.754 -5.891 -7.492 1.00 1.00 H new HETATM 0 H1S RCY A 121 64.693 -10.494 -9.068 1.00 1.00 H new HETATM 0 H1M RCY A 121 64.608 -4.605 -9.252 1.00 1.00 H new HETATM 0 H1L RCY A 121 62.515 -10.328 -10.130 1.00 1.00 H new HETATM 0 H1C RCY A 121 67.008 -7.349 -5.957 1.00 1.00 H new HETATM 1328 C1C RCY A 130 78.582 0.501 -9.146 1.00 1.00 C HETATM 1329 O1G RCY A 130 79.009 -2.417 -9.823 1.00 1.00 O HETATM 1330 O1H RCY A 130 79.122 -1.024 -14.334 1.00 1.00 O HETATM 1331 O1J RCY A 130 79.315 3.400 -9.504 1.00 1.00 O HETATM 1332 C1L RCY A 130 78.493 -3.539 -11.935 1.00 1.00 C HETATM 1333 C1M RCY A 130 79.929 1.132 -12.534 1.00 1.00 C HETATM 1334 C1P RCY A 130 78.904 -2.357 -11.047 1.00 1.00 C HETATM 1335 C1Q RCY A 130 78.783 -1.550 -13.275 1.00 1.00 C HETATM 1336 N1R RCY A 130 79.166 -1.098 -11.871 1.00 1.00 N HETATM 1337 C1S RCY A 130 77.901 -2.777 -13.127 1.00 1.00 C HETATM 1338 C1U RCY A 130 79.680 0.269 -11.416 1.00 1.00 C HETATM 1339 C1V RCY A 130 77.285 1.073 -11.249 1.00 1.00 C HETATM 1340 N1V RCY A 130 79.289 2.423 -10.588 1.00 1.00 N HETATM 1341 C1W RCY A 130 79.887 2.564 -11.987 1.00 1.00 C HETATM 1342 C1X RCY A 130 78.660 1.037 -10.577 1.00 1.00 C HETATM 1343 C1Y RCY A 130 78.997 3.450 -12.863 1.00 1.00 C HETATM 1344 C1Z RCY A 130 81.292 3.157 -11.873 1.00 1.00 C HETATM 0 H1ZB RCY A 130 81.891 2.546 -11.198 1.00 1.00 H new HETATM 0 H1ZA RCY A 130 81.760 3.176 -12.857 1.00 1.00 H new HETATM 0 H1YB RCY A 130 79.392 3.472 -13.879 1.00 1.00 H new HETATM 0 H1YA RCY A 130 77.984 3.048 -12.877 1.00 1.00 H new HETATM 0 H1VB RCY A 130 76.871 0.065 -11.284 1.00 1.00 H new HETATM 0 H1VA RCY A 130 76.618 1.720 -10.679 1.00 1.00 H new HETATM 0 H1MA RCY A 130 80.898 0.916 -12.985 1.00 1.00 H new HETATM 0 H1LA RCY A 130 79.341 -4.163 -12.218 1.00 1.00 H new HETATM 0 H1CB RCY A 130 78.287 -0.548 -9.166 1.00 1.00 H new HETATM 0 H1CA RCY A 130 79.557 0.595 -8.669 1.00 1.00 H new HETATM 0 H1Z RCY A 130 81.228 4.173 -11.482 1.00 1.00 H new HETATM 0 H1Y RCY A 130 78.980 4.462 -12.458 1.00 1.00 H new HETATM 0 H1V RCY A 130 77.386 1.460 -12.263 1.00 1.00 H new HETATM 0 H1U RCY A 130 80.579 0.041 -10.844 1.00 1.00 H new HETATM 0 H1S RCY A 130 76.863 -2.499 -12.944 1.00 1.00 H new HETATM 0 H1M RCY A 130 79.177 0.990 -13.311 1.00 1.00 H new HETATM 0 H1L RCY A 130 77.764 -4.190 -11.452 1.00 1.00 H new HETATM 0 H1C RCY A 130 77.846 1.074 -8.583 1.00 1.00 H new HETATM 1347 C1C RCY A 138 80.247 5.069 -5.249 1.00 1.00 C HETATM 1348 O1G RCY A 138 80.319 6.402 -7.238 1.00 1.00 O HETATM 1349 O1H RCY A 138 84.816 4.974 -7.433 1.00 1.00 O HETATM 1350 O1J RCY A 138 81.471 2.320 -5.150 1.00 1.00 O HETATM 1351 C1L RCY A 138 81.825 5.859 -9.088 1.00 1.00 C HETATM 1352 C1M RCY A 138 83.897 5.251 -4.671 1.00 1.00 C HETATM 1353 C1P RCY A 138 81.440 6.068 -7.618 1.00 1.00 C HETATM 1354 C1Q RCY A 138 83.754 5.548 -7.670 1.00 1.00 C HETATM 1355 N1R RCY A 138 82.621 5.808 -6.685 1.00 1.00 N HETATM 1356 C1S RCY A 138 83.331 6.131 -9.006 1.00 1.00 C HETATM 1357 C1U RCY A 138 82.667 5.807 -5.156 1.00 1.00 C HETATM 1358 C1V RCY A 138 81.462 5.160 -3.025 1.00 1.00 C HETATM 1359 N1V RCY A 138 82.183 3.545 -4.799 1.00 1.00 N HETATM 1360 C1W RCY A 138 83.688 3.732 -4.619 1.00 1.00 C HETATM 1361 C1X RCY A 138 81.590 4.922 -4.531 1.00 1.00 C HETATM 1362 C1Y RCY A 138 84.140 3.172 -3.268 1.00 1.00 C HETATM 1363 C1Z RCY A 138 84.420 3.032 -5.764 1.00 1.00 C HETATM 0 H1ZB RCY A 138 84.042 3.402 -6.717 1.00 1.00 H new HETATM 0 H1ZA RCY A 138 85.488 3.238 -5.693 1.00 1.00 H new HETATM 0 H1YB RCY A 138 85.198 3.388 -3.120 1.00 1.00 H new HETATM 0 H1YA RCY A 138 83.560 3.635 -2.470 1.00 1.00 H new HETATM 0 H1VA RCY A 138 80.767 4.436 -2.600 1.00 1.00 H new HETATM 0 H1MA RCY A 138 84.727 5.508 -5.330 1.00 1.00 H new HETATM 0 H1LA RCY A 138 81.601 4.852 -9.439 1.00 1.00 H new HETATM 0 H1CB RCY A 138 79.915 6.105 -5.190 1.00 1.00 H new HETATM 0 H1CA RCY A 138 80.360 4.783 -6.295 1.00 1.00 H new HETATM 0 H1Z RCY A 138 84.253 1.957 -5.700 1.00 1.00 H new HETATM 0 H1Y RCY A 138 83.984 2.093 -3.251 1.00 1.00 H new HETATM 0 H1U RCY A 138 82.534 6.854 -4.883 1.00 1.00 H new HETATM 0 H1S RCY A 138 83.544 7.199 -9.058 1.00 1.00 H new HETATM 0 H1M RCY A 138 84.140 5.645 -3.684 1.00 1.00 H new HETATM 0 H1L RCY A 138 81.312 6.550 -9.756 1.00 1.00 H new HETATM 0 H1C RCY A 138 79.508 4.423 -4.774 1.00 1.00 H new HETATM 1366 C1C RCY A 150 82.222 6.512 -3.024 1.00 1.00 C HETATM 1367 O1G RCY A 150 82.195 9.627 -2.392 1.00 1.00 O HETATM 1368 O1H RCY A 150 77.840 8.359 -3.707 1.00 1.00 O HETATM 1369 O1J RCY A 150 83.648 8.154 -0.941 1.00 1.00 O HETATM 1370 C1L RCY A 150 80.574 10.579 -3.959 1.00 1.00 C HETATM 1371 C1M RCY A 150 79.882 7.670 -0.401 1.00 1.00 C HETATM 1372 C1P RCY A 150 81.101 9.551 -2.949 1.00 1.00 C HETATM 1373 C1Q RCY A 150 79.002 8.762 -3.725 1.00 1.00 C HETATM 1374 N1R RCY A 150 80.098 8.422 -2.722 1.00 1.00 N HETATM 1375 C1S RCY A 150 79.611 9.693 -4.757 1.00 1.00 C HETATM 1376 C1U RCY A 150 80.166 7.248 -1.743 1.00 1.00 C HETATM 1377 C1V RCY A 150 81.546 5.298 -0.904 1.00 1.00 C HETATM 1378 N1V RCY A 150 82.268 7.694 -0.816 1.00 1.00 N HETATM 1379 C1W RCY A 150 81.211 8.170 0.179 1.00 1.00 C HETATM 1380 C1X RCY A 150 81.562 6.634 -1.650 1.00 1.00 C HETATM 1381 C1Y RCY A 150 81.461 7.557 1.559 1.00 1.00 C HETATM 1382 C1Z RCY A 150 81.245 9.697 0.253 1.00 1.00 C HETATM 0 H1ZB RCY A 150 81.125 10.113 -0.748 1.00 1.00 H new HETATM 0 H1ZA RCY A 150 80.434 10.048 0.891 1.00 1.00 H new HETATM 0 H1YB RCY A 150 80.653 7.839 2.234 1.00 1.00 H new HETATM 0 H1YA RCY A 150 81.500 6.471 1.473 1.00 1.00 H new HETATM 0 H1VB RCY A 150 80.989 4.563 -1.486 1.00 1.00 H new HETATM 0 H1VA RCY A 150 82.569 4.949 -0.761 1.00 1.00 H new HETATM 0 H1MA RCY A 150 79.131 8.460 -0.392 1.00 1.00 H new HETATM 0 H1LA RCY A 150 80.069 11.416 -3.477 1.00 1.00 H new HETATM 0 H1CA RCY A 150 82.313 7.501 -3.473 1.00 1.00 H new HETATM 0 H1Z RCY A 150 82.200 10.020 0.668 1.00 1.00 H new HETATM 0 H1Y RCY A 150 82.408 7.924 1.954 1.00 1.00 H new HETATM 0 H1V RCY A 150 81.069 5.429 0.067 1.00 1.00 H new HETATM 0 H1U RCY A 150 79.439 6.534 -2.129 1.00 1.00 H new HETATM 0 H1S RCY A 150 80.136 9.136 -5.533 1.00 1.00 H new HETATM 0 H1M RCY A 150 79.484 6.845 0.191 1.00 1.00 H new HETATM 0 H1L RCY A 150 81.366 10.999 -4.579 1.00 1.00 H new HETATM 0 H1C RCY A 150 83.213 6.071 -2.914 1.00 1.00 H new HETATM 1385 C1C RCY A 160 70.754 7.436 -1.117 1.00 1.00 C HETATM 1386 O1G RCY A 160 68.210 7.432 -3.165 1.00 1.00 O HETATM 1387 O1H RCY A 160 68.686 2.844 -2.150 1.00 1.00 O HETATM 1388 O1J RCY A 160 73.578 7.551 -2.157 1.00 1.00 O HETATM 1389 C1L RCY A 160 66.609 5.601 -2.895 1.00 1.00 C HETATM 1390 C1M RCY A 160 71.293 4.946 -3.801 1.00 1.00 C HETATM 1391 C1P RCY A 160 68.004 6.237 -2.959 1.00 1.00 C HETATM 1392 C1Q RCY A 160 68.310 3.905 -2.647 1.00 1.00 C HETATM 1393 N1R RCY A 160 69.105 5.202 -2.733 1.00 1.00 N HETATM 1394 C1S RCY A 160 66.959 4.162 -3.290 1.00 1.00 C HETATM 1395 C1U RCY A 160 70.617 5.404 -2.621 1.00 1.00 C HETATM 1396 C1V RCY A 160 70.343 7.722 -3.602 1.00 1.00 C HETATM 1397 N1V RCY A 160 72.509 6.773 -2.776 1.00 1.00 N HETATM 1398 C1W RCY A 160 72.643 5.674 -3.829 1.00 1.00 C HETATM 1399 C1X RCY A 160 71.012 6.876 -2.517 1.00 1.00 C HETATM 1400 C1Y RCY A 160 72.898 6.284 -5.210 1.00 1.00 C HETATM 1401 C1Z RCY A 160 73.786 4.739 -3.433 1.00 1.00 C HETATM 0 H1ZB RCY A 160 73.616 4.363 -2.424 1.00 1.00 H new HETATM 0 H1ZA RCY A 160 73.829 3.902 -4.130 1.00 1.00 H new HETATM 0 H1YB RCY A 160 72.908 5.494 -5.961 1.00 1.00 H new HETATM 0 H1YA RCY A 160 72.108 6.997 -5.444 1.00 1.00 H new HETATM 0 H1VB RCY A 160 69.266 7.742 -3.436 1.00 1.00 H new HETATM 0 H1VA RCY A 160 70.735 8.739 -3.564 1.00 1.00 H new HETATM 0 H1MA RCY A 160 71.434 3.865 -3.775 1.00 1.00 H new HETATM 0 H1LA RCY A 160 66.166 5.665 -1.901 1.00 1.00 H new HETATM 0 H1CB RCY A 160 69.694 7.349 -0.880 1.00 1.00 H new HETATM 0 H1CA RCY A 160 71.336 6.873 -0.387 1.00 1.00 H new HETATM 0 H1Z RCY A 160 74.729 5.285 -3.463 1.00 1.00 H new HETATM 0 H1Y RCY A 160 73.860 6.796 -5.210 1.00 1.00 H new HETATM 0 H1V RCY A 160 70.551 7.290 -4.581 1.00 1.00 H new HETATM 0 H1U RCY A 160 70.897 4.849 -1.725 1.00 1.00 H new HETATM 0 H1S RCY A 160 67.008 4.049 -4.373 1.00 1.00 H new HETATM 0 H1M RCY A 160 70.711 5.170 -4.695 1.00 1.00 H new HETATM 0 H1L RCY A 160 65.907 6.065 -3.587 1.00 1.00 H new HETATM 0 H1C RCY A 160 71.048 8.485 -1.085 1.00 1.00 H new HETATM 1404 C1C RCY A 168 68.997 3.515 -1.136 1.00 1.00 C HETATM 1405 O1G RCY A 168 70.509 0.731 2.694 1.00 1.00 O HETATM 1406 O1H RCY A 168 70.491 5.294 1.479 1.00 1.00 O HETATM 1407 O1J RCY A 168 69.752 1.621 -3.353 1.00 1.00 O HETATM 1408 C1L RCY A 168 70.176 2.800 3.958 1.00 1.00 C HETATM 1409 C1M RCY A 168 71.653 1.177 -0.052 1.00 1.00 C HETATM 1410 C1P RCY A 168 70.475 1.960 2.710 1.00 1.00 C HETATM 1411 C1Q RCY A 168 70.676 4.241 2.087 1.00 1.00 C HETATM 1412 N1R RCY A 168 70.726 2.842 1.487 1.00 1.00 N HETATM 1413 C1S RCY A 168 70.899 4.097 3.582 1.00 1.00 C HETATM 1414 C1U RCY A 168 70.967 2.435 0.032 1.00 1.00 C HETATM 1415 C1V RCY A 168 68.715 1.278 0.021 1.00 1.00 C HETATM 1416 N1V RCY A 168 70.213 1.492 -1.974 1.00 1.00 N HETATM 1417 C1W RCY A 168 71.350 0.617 -1.447 1.00 1.00 C HETATM 1418 C1X RCY A 168 69.670 2.199 -0.740 1.00 1.00 C HETATM 1419 C1Y RCY A 168 70.902 -0.844 -1.355 1.00 1.00 C HETATM 1420 C1Z RCY A 168 72.557 0.753 -2.375 1.00 1.00 C HETATM 0 H1ZB RCY A 168 72.823 1.805 -2.475 1.00 1.00 H new HETATM 0 H1ZA RCY A 168 73.401 0.204 -1.957 1.00 1.00 H new HETATM 0 H1YB RCY A 168 71.694 -1.439 -0.900 1.00 1.00 H new HETATM 0 H1YA RCY A 168 70.001 -0.911 -0.745 1.00 1.00 H new HETATM 0 H1VB RCY A 168 68.377 1.776 0.930 1.00 1.00 H new HETATM 0 H1VA RCY A 168 67.855 1.046 -0.607 1.00 1.00 H new HETATM 0 H1MA RCY A 168 72.726 1.308 0.090 1.00 1.00 H new HETATM 0 H1LA RCY A 168 69.108 2.948 4.115 1.00 1.00 H new HETATM 0 H1CB RCY A 168 68.762 4.088 -0.239 1.00 1.00 H new HETATM 0 H1Z RCY A 168 72.310 0.347 -3.356 1.00 1.00 H new HETATM 0 H1Y RCY A 168 70.692 -1.224 -2.355 1.00 1.00 H new HETATM 0 H1V RCY A 168 69.232 0.355 0.284 1.00 1.00 H new HETATM 0 H1U RCY A 168 71.539 3.263 -0.387 1.00 1.00 H new HETATM 0 H1S RCY A 168 71.961 4.042 3.821 1.00 1.00 H new HETATM 0 H1M RCY A 168 71.310 0.494 0.725 1.00 1.00 H new HETATM 0 H1L RCY A 168 70.572 2.350 4.868 1.00 1.00 H new HETATM 1423 C1C RCY A 173 76.653 -2.238 2.583 1.00 1.00 C HETATM 1424 O1G RCY A 173 76.419 -4.550 2.200 1.00 1.00 O HETATM 1425 O1H RCY A 173 73.170 -4.364 5.622 1.00 1.00 O HETATM 1426 O1J RCY A 173 74.222 -0.478 2.831 1.00 1.00 O HETATM 1427 C1L RCY A 173 74.331 -5.763 2.595 1.00 1.00 C HETATM 1428 C1M RCY A 173 75.262 -2.353 6.010 1.00 1.00 C HETATM 1429 C1P RCY A 173 75.447 -4.762 2.923 1.00 1.00 C HETATM 1430 C1Q RCY A 173 73.951 -4.773 4.765 1.00 1.00 C HETATM 1431 N1R RCY A 173 75.201 -4.063 4.259 1.00 1.00 N HETATM 1432 C1S RCY A 173 73.846 -6.087 4.012 1.00 1.00 C HETATM 1433 C1U RCY A 173 75.996 -2.939 4.926 1.00 1.00 C HETATM 1434 C1V RCY A 173 77.298 -0.797 4.567 1.00 1.00 C HETATM 1435 N1V RCY A 173 74.889 -1.116 3.962 1.00 1.00 N HETATM 1436 C1W RCY A 173 74.360 -1.281 5.386 1.00 1.00 C HETATM 1437 C1X RCY A 173 76.265 -1.765 3.986 1.00 1.00 C HETATM 1438 C1Y RCY A 173 74.476 0.036 6.157 1.00 1.00 C HETATM 1439 C1Z RCY A 173 72.904 -1.745 5.328 1.00 1.00 C HETATM 0 H1ZB RCY A 173 72.834 -2.650 4.725 1.00 1.00 H new HETATM 0 H1YB RCY A 173 74.173 -0.121 7.192 1.00 1.00 H new HETATM 0 H1YA RCY A 173 75.509 0.384 6.129 1.00 1.00 H new HETATM 0 H1VB RCY A 173 78.267 -1.293 4.630 1.00 1.00 H new HETATM 0 H1VA RCY A 173 77.380 0.078 3.922 1.00 1.00 H new HETATM 0 H1LA RCY A 173 73.548 -5.327 1.975 1.00 1.00 H new HETATM 0 H1CA RCY A 173 75.843 -2.834 2.163 1.00 1.00 H new HETATM 0 H1Y RCY A 173 73.829 0.784 5.699 1.00 1.00 H new HETATM 0 H1V RCY A 173 76.985 -0.485 5.563 1.00 1.00 H new HETATM 0 H1U RCY A 173 76.922 -3.418 5.246 1.00 1.00 H new HETATM 0 H1M RCY A 173 75.937 -1.914 6.745 1.00 1.00 H new HETATM 1442 C1C RCY A 176 78.376 -3.329 0.916 1.00 1.00 C HETATM 1443 O1G RCY A 176 78.341 -4.454 -0.842 1.00 1.00 O HETATM 1444 O1H RCY A 176 78.094 -8.514 1.556 1.00 1.00 O HETATM 1445 O1J RCY A 176 75.771 -3.769 2.363 1.00 1.00 O HETATM 1446 C1L RCY A 176 77.638 -6.717 -1.450 1.00 1.00 C HETATM 1447 C1M RCY A 176 78.631 -6.145 3.303 1.00 1.00 C HETATM 1448 C1P RCY A 176 78.195 -5.632 -0.520 1.00 1.00 C HETATM 1449 C1Q RCY A 176 78.281 -7.684 0.668 1.00 1.00 C HETATM 1450 N1R RCY A 176 78.545 -6.195 0.856 1.00 1.00 N HETATM 1451 C1S RCY A 176 78.290 -7.956 -0.825 1.00 1.00 C HETATM 1452 C1U RCY A 176 79.036 -5.463 2.107 1.00 1.00 C HETATM 1453 C1V RCY A 176 79.143 -3.250 3.331 1.00 1.00 C HETATM 1454 N1V RCY A 176 77.024 -4.432 2.713 1.00 1.00 N HETATM 1455 C1W RCY A 176 77.217 -5.645 3.622 1.00 1.00 C HETATM 1456 C1X RCY A 176 78.429 -4.069 2.254 1.00 1.00 C HETATM 1457 C1Y RCY A 176 77.110 -5.235 5.093 1.00 1.00 C HETATM 1458 C1Z RCY A 176 76.164 -6.700 3.279 1.00 1.00 C HETATM 0 H1ZB RCY A 176 76.217 -6.935 2.216 1.00 1.00 H new HETATM 0 H1VB RCY A 176 80.166 -3.045 3.014 1.00 1.00 H new HETATM 0 H1MA RCY A 176 78.638 -7.225 3.157 1.00 1.00 H new HETATM 0 H1LA RCY A 176 76.549 -6.764 -1.432 1.00 1.00 H new HETATM 0 H1CB RCY A 176 79.385 -3.222 0.519 1.00 1.00 H new HETATM 0 H1CA RCY A 176 77.767 -3.895 0.211 1.00 1.00 H new HETATM 0 H1U RCY A 176 80.118 -5.419 1.986 1.00 1.00 H new HETATM 0 H1M RCY A 176 79.315 -5.930 4.124 1.00 1.00 H new HETATM 0 H1L RCY A 176 77.933 -6.569 -2.489 1.00 1.00 H new HETATM 1461 C1C RCY A 187 74.323 -6.166 2.229 1.00 1.00 C HETATM 1462 O1G RCY A 187 78.570 -6.221 5.703 1.00 1.00 O HETATM 1463 O1H RCY A 187 75.914 -3.809 2.633 1.00 1.00 O HETATM 1464 O1J RCY A 187 72.286 -7.787 3.742 1.00 1.00 O HETATM 1465 C1L RCY A 187 78.903 -4.124 4.487 1.00 1.00 C HETATM 1466 C1M RCY A 187 75.470 -6.875 5.674 1.00 1.00 C HETATM 1467 C1P RCY A 187 78.154 -5.402 4.885 1.00 1.00 C HETATM 1468 C1Q RCY A 187 76.872 -4.335 3.198 1.00 1.00 C HETATM 1469 N1R RCY A 187 76.826 -5.531 4.140 1.00 1.00 N HETATM 1470 C1S RCY A 187 78.324 -3.908 3.084 1.00 1.00 C HETATM 1471 C1U RCY A 187 75.728 -6.585 4.293 1.00 1.00 C HETATM 1472 C1V RCY A 187 74.001 -4.733 4.295 1.00 1.00 C HETATM 1473 N1V RCY A 187 73.464 -7.178 4.353 1.00 1.00 N HETATM 1474 C1W RCY A 187 74.056 -7.466 5.731 1.00 1.00 C HETATM 1475 C1X RCY A 187 74.376 -6.115 3.757 1.00 1.00 C HETATM 1476 C1Y RCY A 187 73.229 -6.782 6.823 1.00 1.00 C HETATM 1477 C1Z RCY A 187 74.095 -8.978 5.953 1.00 1.00 C HETATM 0 H1ZA RCY A 187 74.599 -9.195 6.895 1.00 1.00 H new HETATM 0 H1YB RCY A 187 73.711 -6.928 7.790 1.00 1.00 H new HETATM 0 H1LA RCY A 187 78.693 -3.291 5.158 1.00 1.00 H new HETATM 0 H1CB RCY A 187 75.098 -5.520 1.816 1.00 1.00 H new HETATM 0 H1CA RCY A 187 74.487 -7.190 1.893 1.00 1.00 H new HETATM 0 H1C RCY A 187 73.346 -5.824 1.887 1.00 1.00 H new