USER MOD reduce.3.24.130724 H: found=0, std=0, add=786, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 659 hydrogens (20 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 16 VAL H : A 16 VAL N : A 110 RCY C1U :(H bumps) USER MOD NoAdj-H: A 17 MET H : A 17 MET N : A 110 RCY C1Z :(H bumps) USER MOD NoAdj-H: A 110 RCYH1VB : A 110 RCY C1V : A 16 VAL CG1 :(H bumps) USER MOD NoAdj-H: A 110 RCYH1VA : A 110 RCY C1V : A 16 VAL CG2 :(H bumps) USER MOD NoAdj-H: A 110 RCYH1SA : A 110 RCY C1S : A 10 CYS SG :(H bumps) USER MOD NoAdj-H: A 110 RCY H1Z : A 110 RCY C1Z : A 17 MET CA :(H bumps) USER MOD NoAdj-H: A 110 RCY H1U : A 110 RCY C1U : A 16 VAL N :(H bumps) USER MOD NoAdj-H: A 121 RCYH1SA : A 121 RCY C1S : A 21 CYS SG :(H bumps) USER MOD NoAdj-H: A 130 RCYH1SA : A 130 RCY C1S : A 30 CYS SG :(H bumps) USER MOD NoAdj-H: A 138 RCYH1SA : A 138 RCY C1S : A 38 CYS SG :(H bumps) USER MOD NoAdj-H: A 150 RCYH1SA : A 150 RCY C1S : A 150 RCY N1R :(H bumps) USER MOD NoAdj-H: A 150 RCYH1LA : A 150 RCY C1L : A 150 RCY O1H :(H bumps) USER MOD NoAdj-H: A 160 RCYH1ZB : A 160 RCY C1Z : A 64 ILE CG1 :(H bumps) USER MOD NoAdj-H: A 160 RCYH1ZA : A 160 RCY C1Z : A 64 ILE CG1 :(H bumps) USER MOD NoAdj-H: A 160 RCYH1VA : A 160 RCY C1V : A 168 RCY C1C :(H bumps) USER MOD NoAdj-H: A 160 RCYH1SA : A 160 RCY C1S : A 60 CYS SG :(H bumps) USER MOD NoAdj-H: A 160 RCY H1Z : A 160 RCY C1Z : A 64 ILE CG1 :(H bumps) USER MOD NoAdj-H: A 160 RCY H1Y : A 160 RCY C1Y : A 168 RCY O1H :(H bumps) USER MOD NoAdj-H: A 160 RCY H1V : A 160 RCY C1V : A 168 RCY C1C :(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 C1V :(H bumps) USER MOD NoAdj-H: A 173 RCYH1ZB : A 173 RCY C1Z : A 176 RCY O1H :(H bumps) USER MOD NoAdj-H: A 173 RCYH1ZA : A 173 RCY C1Z : A 176 RCY C1S :(H bumps) USER MOD NoAdj-H: A 173 RCYH1YB : A 173 RCY C1Y : A 176 RCY O1G :(H bumps) USER MOD NoAdj-H: A 173 RCYH1YA : A 173 RCY C1Y : A 176 RCY O1G :(H bumps) USER MOD NoAdj-H: A 173 RCYH1VB : A 173 RCY C1V : A 176 RCY C1C :(H bumps) USER MOD NoAdj-H: A 173 RCYH1VA : A 173 RCY C1V : A 176 RCY C1V :(H bumps) USER MOD NoAdj-H: A 173 RCYH1SA : A 173 RCY C1S : A 73 CYS SG :(H bumps) USER MOD NoAdj-H: A 173 RCYH1CA : A 173 RCY C1C : A 176 RCY N1V :(H bumps) USER MOD NoAdj-H: A 173 RCY H1Z : A 173 RCY C1Z : A 176 RCY N1R :(H bumps) USER MOD NoAdj-H: A 173 RCY H1Y : A 173 RCY C1Y : A 176 RCY O1G :(H bumps) USER MOD NoAdj-H: A 173 RCY H1V : A 173 RCY C1V : A 176 RCY C1C :(H bumps) USER MOD NoAdj-H: A 173 RCY H1U : A 173 RCY C1U : A 176 RCY O1J :(H bumps) USER MOD NoAdj-H: A 173 RCY H1C : A 173 RCY C1C : A 176 RCY C1V :(H bumps) USER MOD NoAdj-H: A 176 RCYH1VA : A 176 RCY C1V : A 173 RCY C1C :(H bumps) USER MOD NoAdj-H: A 176 RCYH1SA : A 176 RCY C1S : A 76 CYS SG :(H bumps) USER MOD NoAdj-H: A 176 RCYH1MA : A 176 RCY C1M : A 187 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 176 RCYH1CB : A 176 RCY C1C : A 173 RCY C1V :(H bumps) USER MOD NoAdj-H: A 176 RCY H1V : A 176 RCY C1V : A 173 RCY C1C :(H bumps) USER MOD NoAdj-H: A 176 RCY H1U : A 176 RCY C1U : A 173 RCY O1J :(H bumps) USER MOD NoAdj-H: A 176 RCY H1M : A 176 RCY C1M : A 187 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 176 RCY H1C : A 176 RCY C1C : A 173 RCY C1V :(H bumps) USER MOD NoAdj-H: A 187 RCYH1YB : A 187 RCY C1Y : A 176 RCY C1M :(H bumps) USER MOD NoAdj-H: A 187 RCYH1YA : A 187 RCY C1Y : A 176 RCY C1M :(H bumps) USER MOD NoAdj-H: A 187 RCYH1SA : A 187 RCY C1S : A 87 CYS SG :(H bumps) USER MOD NoAdj-H: A 187 RCY H1Y : A 187 RCY C1Y : A 176 RCY C1M :(H bumps) USER MOD Set 1.1: A 37 GLN :FLIP amide:sc= -2.17! F(o=-11,f=-6.8!) USER MOD Set 1.2: A 39 LYS NZ :NH3+ 154:sc= -4.66! (180deg=-2.18!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -166:sc= -0.125 (180deg=-0.377) USER MOD Single : A 2 ASN : amide:sc= -0.0452 K(o=-0.045,f=-1.2!) USER MOD Single : A 7 LYS NZ :NH3+ 159:sc= 0 (180deg=-0.305) USER MOD Single : A 12 SER OG : rot -49:sc= 0.418 USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.112 USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 65:sc= 0.832 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -148:sc= -0.218 (180deg=-1.41!) USER MOD Single : A 31 LYS NZ :NH3+ 157:sc= -3.5! (180deg=-4.81!) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 GLN :FLIP amide:sc= -1.83 F(o=-5.5!,f=-1.8) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot -58:sc= 0.219 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ -168:sc= 0.114 (180deg=-0.117) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= -4.69! C(o=-4.7!,f=-5.2!) USER MOD Single : A 57 MET CE :methyl -176:sc=-0.00433 (180deg=-0.0117) USER MOD Single : A 62 THR OG1 : rot 37:sc= -0.22! USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= 0.00428 X(o=0.0043,f=0) USER MOD Single : A 75 HIS : no HD1:sc= -0.159 X(o=-0.16,f=-0.11) USER MOD Single : A 79 HIS : no HD1:sc= -0.711 X(o=-0.71,f=-0.38) USER MOD Single : A 83 GLN : amide:sc= -2.94! C(o=-2.9!,f=-3.8!) USER MOD Single : A 84 TYR OH : rot -109:sc= -0.56 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 65.651 -11.598 21.927 1.00 1.00 N ATOM 2 CA MET A 1 66.608 -10.470 21.745 1.00 1.00 C ATOM 3 C MET A 1 67.993 -11.027 21.407 1.00 1.00 C ATOM 4 O MET A 1 68.843 -10.330 20.889 1.00 1.00 O ATOM 5 CB MET A 1 66.687 -9.654 23.037 1.00 1.00 C ATOM 6 CG MET A 1 65.435 -8.785 23.169 1.00 1.00 C ATOM 7 SD MET A 1 65.441 -7.959 24.780 1.00 1.00 S ATOM 8 CE MET A 1 64.947 -6.319 24.196 1.00 1.00 C ATOM 0 H1 MET A 1 64.678 -11.232 21.920 1.00 1.00 H new ATOM 0 H2 MET A 1 65.769 -12.282 21.153 1.00 1.00 H new ATOM 0 H3 MET A 1 65.838 -12.068 22.836 1.00 1.00 H new ATOM 0 HA MET A 1 66.265 -9.830 20.932 1.00 1.00 H new ATOM 0 HB2 MET A 1 66.773 -10.320 23.896 1.00 1.00 H new ATOM 0 HB3 MET A 1 67.579 -9.027 23.030 1.00 1.00 H new ATOM 0 HG2 MET A 1 65.407 -8.045 22.369 1.00 1.00 H new ATOM 0 HG3 MET A 1 64.540 -9.399 23.067 1.00 1.00 H new ATOM 0 HE1 MET A 1 64.887 -5.634 25.042 1.00 1.00 H new ATOM 0 HE2 MET A 1 65.684 -5.950 23.482 1.00 1.00 H new ATOM 0 HE3 MET A 1 63.973 -6.384 23.711 1.00 1.00 H new ATOM 17 N ASN A 2 68.227 -12.279 21.698 1.00 1.00 N ATOM 18 CA ASN A 2 69.558 -12.882 21.396 1.00 1.00 C ATOM 19 C ASN A 2 69.494 -13.621 20.057 1.00 1.00 C ATOM 20 O ASN A 2 70.505 -13.939 19.464 1.00 1.00 O ATOM 21 CB ASN A 2 69.931 -13.870 22.504 1.00 1.00 C ATOM 22 CG ASN A 2 71.417 -14.218 22.399 1.00 1.00 C ATOM 23 OD1 ASN A 2 72.230 -13.374 22.080 1.00 1.00 O ATOM 24 ND2 ASN A 2 71.809 -15.436 22.657 1.00 1.00 N ATOM 0 H ASN A 2 67.554 -12.910 22.132 1.00 1.00 H new ATOM 0 HA ASN A 2 70.309 -12.094 21.340 1.00 1.00 H new ATOM 0 HB2 ASN A 2 69.717 -13.436 23.480 1.00 1.00 H new ATOM 0 HB3 ASN A 2 69.328 -14.774 22.418 1.00 1.00 H new ATOM 0 HD21 ASN A 2 72.798 -15.678 22.591 1.00 1.00 H new ATOM 0 HD22 ASN A 2 71.127 -16.145 22.925 1.00 1.00 H new ATOM 31 N LEU A 3 68.313 -13.898 19.576 1.00 1.00 N ATOM 32 CA LEU A 3 68.187 -14.617 18.277 1.00 1.00 C ATOM 33 C LEU A 3 68.735 -13.738 17.150 1.00 1.00 C ATOM 34 O LEU A 3 68.286 -12.629 16.941 1.00 1.00 O ATOM 35 CB LEU A 3 66.714 -14.932 18.008 1.00 1.00 C ATOM 36 CG LEU A 3 66.066 -15.477 19.282 1.00 1.00 C ATOM 37 CD1 LEU A 3 64.633 -15.917 18.979 1.00 1.00 C ATOM 38 CD2 LEU A 3 66.870 -16.676 19.789 1.00 1.00 C ATOM 0 H LEU A 3 67.430 -13.657 20.026 1.00 1.00 H new ATOM 0 HA LEU A 3 68.755 -15.546 18.321 1.00 1.00 H new ATOM 0 HB2 LEU A 3 66.193 -14.033 17.679 1.00 1.00 H new ATOM 0 HB3 LEU A 3 66.629 -15.662 17.203 1.00 1.00 H new ATOM 0 HG LEU A 3 66.053 -14.698 20.044 1.00 1.00 H new ATOM 0 HD11 LEU A 3 64.172 -16.305 19.887 1.00 1.00 H new ATOM 0 HD12 LEU A 3 64.059 -15.064 18.617 1.00 1.00 H new ATOM 0 HD13 LEU A 3 64.645 -16.696 18.217 1.00 1.00 H new ATOM 0 HD21 LEU A 3 66.409 -17.065 20.697 1.00 1.00 H new ATOM 0 HD22 LEU A 3 66.883 -17.454 19.026 1.00 1.00 H new ATOM 0 HD23 LEU A 3 67.892 -16.364 20.006 1.00 1.00 H new ATOM 50 N GLU A 4 69.702 -14.227 16.421 1.00 1.00 N ATOM 51 CA GLU A 4 70.278 -13.422 15.306 1.00 1.00 C ATOM 52 C GLU A 4 69.465 -13.671 14.030 1.00 1.00 C ATOM 53 O GLU A 4 68.935 -14.746 13.831 1.00 1.00 O ATOM 54 CB GLU A 4 71.731 -13.844 15.076 1.00 1.00 C ATOM 55 CG GLU A 4 72.586 -13.401 16.265 1.00 1.00 C ATOM 56 CD GLU A 4 72.736 -11.879 16.248 1.00 1.00 C ATOM 57 OE1 GLU A 4 71.879 -11.213 16.803 1.00 1.00 O ATOM 58 OE2 GLU A 4 73.707 -11.405 15.679 1.00 1.00 O ATOM 0 H GLU A 4 70.118 -15.149 16.550 1.00 1.00 H new ATOM 0 HA GLU A 4 70.242 -12.363 15.560 1.00 1.00 H new ATOM 0 HB2 GLU A 4 71.792 -14.925 14.954 1.00 1.00 H new ATOM 0 HB3 GLU A 4 72.109 -13.398 14.156 1.00 1.00 H new ATOM 0 HG2 GLU A 4 72.123 -13.721 17.198 1.00 1.00 H new ATOM 0 HG3 GLU A 4 73.567 -13.874 16.217 1.00 1.00 H new ATOM 65 N PRO A 5 69.370 -12.688 13.170 1.00 1.00 N ATOM 66 CA PRO A 5 68.612 -12.802 11.895 1.00 1.00 C ATOM 67 C PRO A 5 68.715 -14.204 11.278 1.00 1.00 C ATOM 68 O PRO A 5 69.688 -14.529 10.627 1.00 1.00 O ATOM 69 CB PRO A 5 69.295 -11.768 11.003 1.00 1.00 C ATOM 70 CG PRO A 5 69.765 -10.700 11.938 1.00 1.00 C ATOM 71 CD PRO A 5 69.980 -11.356 13.309 1.00 1.00 C ATOM 0 HA PRO A 5 67.543 -12.636 12.030 1.00 1.00 H new ATOM 0 HB2 PRO A 5 70.129 -12.208 10.456 1.00 1.00 H new ATOM 0 HB3 PRO A 5 68.603 -11.367 10.262 1.00 1.00 H new ATOM 0 HG2 PRO A 5 70.691 -10.253 11.576 1.00 1.00 H new ATOM 0 HG3 PRO A 5 69.030 -9.898 12.007 1.00 1.00 H new ATOM 0 HD2 PRO A 5 71.039 -11.427 13.555 1.00 1.00 H new ATOM 0 HD3 PRO A 5 69.506 -10.781 14.105 1.00 1.00 H new ATOM 79 N PRO A 6 67.719 -15.030 11.483 1.00 1.00 N ATOM 80 CA PRO A 6 67.699 -16.415 10.943 1.00 1.00 C ATOM 81 C PRO A 6 67.150 -16.472 9.513 1.00 1.00 C ATOM 82 O PRO A 6 66.135 -15.879 9.204 1.00 1.00 O ATOM 83 CB PRO A 6 66.766 -17.143 11.909 1.00 1.00 C ATOM 84 CG PRO A 6 65.799 -16.101 12.372 1.00 1.00 C ATOM 85 CD PRO A 6 66.502 -14.742 12.258 1.00 1.00 C ATOM 0 HA PRO A 6 68.696 -16.851 10.878 1.00 1.00 H new ATOM 0 HB2 PRO A 6 66.252 -17.967 11.415 1.00 1.00 H new ATOM 0 HB3 PRO A 6 67.319 -17.568 12.747 1.00 1.00 H new ATOM 0 HG2 PRO A 6 64.895 -16.118 11.763 1.00 1.00 H new ATOM 0 HG3 PRO A 6 65.494 -16.290 13.401 1.00 1.00 H new ATOM 0 HD2 PRO A 6 65.873 -14.009 11.753 1.00 1.00 H new ATOM 0 HD3 PRO A 6 66.742 -14.334 13.240 1.00 1.00 H new ATOM 93 N LYS A 7 67.809 -17.184 8.641 1.00 1.00 N ATOM 94 CA LYS A 7 67.321 -17.278 7.237 1.00 1.00 C ATOM 95 C LYS A 7 66.131 -18.239 7.180 1.00 1.00 C ATOM 96 O LYS A 7 66.278 -19.433 7.352 1.00 1.00 O ATOM 97 CB LYS A 7 68.446 -17.797 6.336 1.00 1.00 C ATOM 98 CG LYS A 7 69.279 -18.826 7.103 1.00 1.00 C ATOM 99 CD LYS A 7 70.159 -19.604 6.122 1.00 1.00 C ATOM 100 CE LYS A 7 71.288 -20.296 6.887 1.00 1.00 C ATOM 101 NZ LYS A 7 70.715 -21.086 8.012 1.00 1.00 N ATOM 0 H LYS A 7 68.664 -17.704 8.840 1.00 1.00 H new ATOM 0 HA LYS A 7 67.010 -16.292 6.891 1.00 1.00 H new ATOM 0 HB2 LYS A 7 68.027 -18.249 5.437 1.00 1.00 H new ATOM 0 HB3 LYS A 7 69.078 -16.970 6.012 1.00 1.00 H new ATOM 0 HG2 LYS A 7 69.899 -18.326 7.847 1.00 1.00 H new ATOM 0 HG3 LYS A 7 68.624 -19.510 7.642 1.00 1.00 H new ATOM 0 HD2 LYS A 7 69.561 -20.343 5.588 1.00 1.00 H new ATOM 0 HD3 LYS A 7 70.573 -18.928 5.374 1.00 1.00 H new ATOM 0 HE2 LYS A 7 71.848 -20.950 6.218 1.00 1.00 H new ATOM 0 HE3 LYS A 7 71.990 -19.555 7.270 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 71.394 -21.817 8.304 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 70.519 -20.455 8.815 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 69.831 -21.539 7.703 1.00 1.00 H new ATOM 115 N ALA A 8 64.953 -17.726 6.941 1.00 1.00 N ATOM 116 CA ALA A 8 63.747 -18.605 6.874 1.00 1.00 C ATOM 117 C ALA A 8 62.925 -18.247 5.635 1.00 1.00 C ATOM 118 O ALA A 8 61.885 -17.626 5.726 1.00 1.00 O ATOM 119 CB ALA A 8 62.895 -18.397 8.127 1.00 1.00 C ATOM 0 H ALA A 8 64.773 -16.734 6.789 1.00 1.00 H new ATOM 0 HA ALA A 8 64.059 -19.648 6.815 1.00 1.00 H new ATOM 0 HB1 ALA A 8 62.015 -19.038 8.079 1.00 1.00 H new ATOM 0 HB2 ALA A 8 63.480 -18.650 9.011 1.00 1.00 H new ATOM 0 HB3 ALA A 8 62.582 -17.355 8.185 1.00 1.00 H new ATOM 125 N GLU A 9 63.381 -18.636 4.476 1.00 1.00 N ATOM 126 CA GLU A 9 62.625 -18.320 3.232 1.00 1.00 C ATOM 127 C GLU A 9 62.452 -16.804 3.110 1.00 1.00 C ATOM 128 O GLU A 9 62.611 -16.071 4.066 1.00 1.00 O ATOM 129 CB GLU A 9 61.250 -18.991 3.288 1.00 1.00 C ATOM 130 CG GLU A 9 61.393 -20.403 3.861 1.00 1.00 C ATOM 131 CD GLU A 9 60.114 -21.196 3.588 1.00 1.00 C ATOM 132 OE1 GLU A 9 59.130 -20.948 4.266 1.00 1.00 O ATOM 133 OE2 GLU A 9 60.139 -22.039 2.707 1.00 1.00 O ATOM 0 H GLU A 9 64.245 -19.159 4.337 1.00 1.00 H new ATOM 0 HA GLU A 9 63.175 -18.691 2.367 1.00 1.00 H new ATOM 0 HB2 GLU A 9 60.572 -18.403 3.907 1.00 1.00 H new ATOM 0 HB3 GLU A 9 60.814 -19.035 2.290 1.00 1.00 H new ATOM 0 HG2 GLU A 9 62.248 -20.905 3.409 1.00 1.00 H new ATOM 0 HG3 GLU A 9 61.582 -20.354 4.933 1.00 1.00 H new ATOM 140 N CYS A 10 62.128 -16.328 1.937 1.00 1.00 N ATOM 141 CA CYS A 10 61.945 -14.861 1.747 1.00 1.00 C ATOM 142 C CYS A 10 60.464 -14.506 1.908 1.00 1.00 C ATOM 143 O CYS A 10 59.918 -13.725 1.156 1.00 1.00 O ATOM 144 CB CYS A 10 62.417 -14.470 0.343 1.00 1.00 C ATOM 145 SG CYS A 10 63.124 -12.804 0.384 1.00 1.00 S ATOM 0 H CYS A 10 61.982 -16.894 1.101 1.00 1.00 H new ATOM 0 HA CYS A 10 62.529 -14.320 2.492 1.00 1.00 H new ATOM 0 HB2 CYS A 10 63.160 -15.183 -0.014 1.00 1.00 H new ATOM 0 HB3 CYS A 10 61.581 -14.504 -0.356 1.00 1.00 H new ATOM 150 N ARG A 11 59.810 -15.077 2.882 1.00 1.00 N ATOM 151 CA ARG A 11 58.365 -14.773 3.085 1.00 1.00 C ATOM 152 C ARG A 11 58.216 -13.377 3.695 1.00 1.00 C ATOM 153 O ARG A 11 57.979 -13.225 4.877 1.00 1.00 O ATOM 154 CB ARG A 11 57.752 -15.817 4.025 1.00 1.00 C ATOM 155 CG ARG A 11 56.238 -15.868 3.813 1.00 1.00 C ATOM 156 CD ARG A 11 55.627 -16.917 4.744 1.00 1.00 C ATOM 157 NE ARG A 11 55.182 -16.261 6.007 1.00 1.00 N ATOM 158 CZ ARG A 11 54.047 -15.620 6.044 1.00 1.00 C ATOM 159 NH1 ARG A 11 53.300 -15.552 4.976 1.00 1.00 N ATOM 160 NH2 ARG A 11 53.657 -15.046 7.149 1.00 1.00 N ATOM 0 H ARG A 11 60.213 -15.740 3.545 1.00 1.00 H new ATOM 0 HA ARG A 11 57.848 -14.802 2.126 1.00 1.00 H new ATOM 0 HB2 ARG A 11 58.190 -16.796 3.833 1.00 1.00 H new ATOM 0 HB3 ARG A 11 57.977 -15.565 5.061 1.00 1.00 H new ATOM 0 HG2 ARG A 11 55.799 -14.890 4.012 1.00 1.00 H new ATOM 0 HG3 ARG A 11 56.014 -16.113 2.775 1.00 1.00 H new ATOM 0 HD2 ARG A 11 54.782 -17.403 4.257 1.00 1.00 H new ATOM 0 HD3 ARG A 11 56.359 -17.694 4.964 1.00 1.00 H new ATOM 0 HE ARG A 11 55.765 -16.314 6.842 1.00 1.00 H new ATOM 0 HH11 ARG A 11 53.604 -16.000 4.112 1.00 1.00 H new ATOM 0 HH12 ARG A 11 52.412 -15.050 5.006 1.00 1.00 H new ATOM 0 HH21 ARG A 11 54.240 -15.099 7.984 1.00 1.00 H new ATOM 0 HH22 ARG A 11 52.769 -14.545 7.177 1.00 1.00 H new ATOM 174 N SER A 12 58.353 -12.354 2.894 1.00 1.00 N ATOM 175 CA SER A 12 58.220 -10.964 3.420 1.00 1.00 C ATOM 176 C SER A 12 56.807 -10.449 3.142 1.00 1.00 C ATOM 177 O SER A 12 56.578 -9.260 3.045 1.00 1.00 O ATOM 178 CB SER A 12 59.232 -10.060 2.720 1.00 1.00 C ATOM 179 OG SER A 12 59.302 -8.816 3.403 1.00 1.00 O ATOM 0 H SER A 12 58.552 -12.421 1.896 1.00 1.00 H new ATOM 0 HA SER A 12 58.406 -10.961 4.494 1.00 1.00 H new ATOM 0 HB2 SER A 12 60.213 -10.536 2.705 1.00 1.00 H new ATOM 0 HB3 SER A 12 58.939 -9.902 1.682 1.00 1.00 H new ATOM 0 HG SER A 12 58.396 -8.473 3.551 1.00 1.00 H new ATOM 185 N ALA A 13 55.859 -11.336 3.010 1.00 1.00 N ATOM 186 CA ALA A 13 54.458 -10.905 2.735 1.00 1.00 C ATOM 187 C ALA A 13 54.341 -10.466 1.273 1.00 1.00 C ATOM 188 O ALA A 13 53.378 -10.769 0.598 1.00 1.00 O ATOM 189 CB ALA A 13 54.087 -9.738 3.659 1.00 1.00 C ATOM 0 H ALA A 13 55.995 -12.344 3.081 1.00 1.00 H new ATOM 0 HA ALA A 13 53.777 -11.736 2.919 1.00 1.00 H new ATOM 0 HB1 ALA A 13 53.063 -9.425 3.456 1.00 1.00 H new ATOM 0 HB2 ALA A 13 54.170 -10.056 4.698 1.00 1.00 H new ATOM 0 HB3 ALA A 13 54.764 -8.903 3.480 1.00 1.00 H new ATOM 195 N THR A 14 55.320 -9.756 0.779 1.00 1.00 N ATOM 196 CA THR A 14 55.277 -9.297 -0.640 1.00 1.00 C ATOM 197 C THR A 14 56.675 -9.415 -1.249 1.00 1.00 C ATOM 198 O THR A 14 57.347 -10.414 -1.087 1.00 1.00 O ATOM 199 CB THR A 14 54.818 -7.838 -0.693 1.00 1.00 C ATOM 200 OG1 THR A 14 55.737 -7.028 0.026 1.00 1.00 O ATOM 201 CG2 THR A 14 53.428 -7.715 -0.067 1.00 1.00 C ATOM 0 H THR A 14 56.151 -9.473 1.299 1.00 1.00 H new ATOM 0 HA THR A 14 54.578 -9.915 -1.203 1.00 1.00 H new ATOM 0 HB THR A 14 54.776 -7.507 -1.731 1.00 1.00 H new ATOM 0 HG1 THR A 14 55.445 -6.093 -0.008 1.00 1.00 H new ATOM 0 HG21 THR A 14 53.102 -6.675 -0.105 1.00 1.00 H new ATOM 0 HG22 THR A 14 52.724 -8.337 -0.620 1.00 1.00 H new ATOM 0 HG23 THR A 14 53.466 -8.045 0.971 1.00 1.00 H new ATOM 209 N ARG A 15 57.121 -8.401 -1.945 1.00 1.00 N ATOM 210 CA ARG A 15 58.480 -8.453 -2.563 1.00 1.00 C ATOM 211 C ARG A 15 59.413 -7.489 -1.826 1.00 1.00 C ATOM 212 O ARG A 15 59.888 -6.520 -2.382 1.00 1.00 O ATOM 213 CB ARG A 15 58.394 -8.065 -4.042 1.00 1.00 C ATOM 214 CG ARG A 15 57.513 -6.824 -4.198 1.00 1.00 C ATOM 215 CD ARG A 15 57.305 -6.528 -5.684 1.00 1.00 C ATOM 216 NE ARG A 15 58.501 -6.975 -6.452 1.00 1.00 N ATOM 217 CZ ARG A 15 58.510 -8.150 -7.020 1.00 1.00 C ATOM 218 NH1 ARG A 15 57.472 -8.933 -6.916 1.00 1.00 N ATOM 219 NH2 ARG A 15 59.558 -8.542 -7.692 1.00 1.00 N ATOM 0 H ARG A 15 56.602 -7.539 -2.112 1.00 1.00 H new ATOM 0 HA ARG A 15 58.873 -9.467 -2.485 1.00 1.00 H new ATOM 0 HB2 ARG A 15 59.391 -7.867 -4.435 1.00 1.00 H new ATOM 0 HB3 ARG A 15 57.982 -8.891 -4.621 1.00 1.00 H new ATOM 0 HG2 ARG A 15 56.551 -6.984 -3.710 1.00 1.00 H new ATOM 0 HG3 ARG A 15 57.980 -5.970 -3.708 1.00 1.00 H new ATOM 0 HD2 ARG A 15 56.414 -7.041 -6.047 1.00 1.00 H new ATOM 0 HD3 ARG A 15 57.141 -5.461 -5.834 1.00 1.00 H new ATOM 0 HE ARG A 15 59.313 -6.363 -6.534 1.00 1.00 H new ATOM 0 HH11 ARG A 15 56.653 -8.627 -6.391 1.00 1.00 H new ATOM 0 HH12 ARG A 15 57.479 -9.851 -7.360 1.00 1.00 H new ATOM 0 HH21 ARG A 15 60.370 -7.930 -7.773 1.00 1.00 H new ATOM 0 HH22 ARG A 15 59.565 -9.460 -8.136 1.00 1.00 H new ATOM 233 N VAL A 16 59.680 -7.764 -0.576 1.00 1.00 N ATOM 234 CA VAL A 16 60.586 -6.893 0.234 1.00 1.00 C ATOM 235 C VAL A 16 60.376 -5.413 -0.105 1.00 1.00 C ATOM 236 O VAL A 16 61.246 -4.593 0.115 1.00 1.00 O ATOM 237 CB VAL A 16 62.048 -7.282 -0.025 1.00 1.00 C ATOM 238 CG1 VAL A 16 62.260 -8.751 0.347 1.00 1.00 C ATOM 239 CG2 VAL A 16 62.373 -7.081 -1.507 1.00 1.00 C ATOM 0 HA VAL A 16 60.349 -7.040 1.288 1.00 1.00 H new ATOM 0 HB VAL A 16 62.703 -6.656 0.581 1.00 1.00 H new ATOM 0 HG11 VAL A 16 63.298 -9.027 0.163 1.00 1.00 H new ATOM 0 HG12 VAL A 16 62.028 -8.896 1.402 1.00 1.00 H new ATOM 0 HG13 VAL A 16 61.605 -9.378 -0.258 1.00 1.00 H new ATOM 0 HG21 VAL A 16 63.411 -7.357 -1.693 1.00 1.00 H new ATOM 0 HG22 VAL A 16 61.717 -7.708 -2.112 1.00 1.00 H new ATOM 0 HG23 VAL A 16 62.222 -6.035 -1.774 1.00 1.00 H new ATOM 249 N MET A 17 59.233 -5.056 -0.626 1.00 1.00 N ATOM 250 CA MET A 17 58.988 -3.621 -0.958 1.00 1.00 C ATOM 251 C MET A 17 57.537 -3.432 -1.408 1.00 1.00 C ATOM 252 O MET A 17 57.271 -3.101 -2.546 1.00 1.00 O ATOM 253 CB MET A 17 59.929 -3.179 -2.085 1.00 1.00 C ATOM 254 CG MET A 17 60.043 -1.653 -2.085 1.00 1.00 C ATOM 255 SD MET A 17 60.578 -1.089 -3.720 1.00 1.00 S ATOM 256 CE MET A 17 60.680 0.675 -3.328 1.00 1.00 C ATOM 0 HA MET A 17 59.175 -3.017 -0.070 1.00 1.00 H new ATOM 0 HB2 MET A 17 60.913 -3.628 -1.949 1.00 1.00 H new ATOM 0 HB3 MET A 17 59.551 -3.526 -3.046 1.00 1.00 H new ATOM 0 HG2 MET A 17 59.082 -1.206 -1.830 1.00 1.00 H new ATOM 0 HG3 MET A 17 60.756 -1.331 -1.326 1.00 1.00 H new ATOM 0 HE1 MET A 17 60.999 1.226 -4.212 1.00 1.00 H new ATOM 0 HE2 MET A 17 59.701 1.034 -3.010 1.00 1.00 H new ATOM 0 HE3 MET A 17 61.401 0.828 -2.525 1.00 1.00 H new ATOM 266 N GLY A 18 56.599 -3.633 -0.522 1.00 1.00 N ATOM 267 CA GLY A 18 55.165 -3.458 -0.898 1.00 1.00 C ATOM 268 C GLY A 18 54.905 -4.106 -2.260 1.00 1.00 C ATOM 269 O GLY A 18 54.612 -5.280 -2.353 1.00 1.00 O ATOM 0 H GLY A 18 56.763 -3.911 0.446 1.00 1.00 H new ATOM 0 HA2 GLY A 18 54.523 -3.909 -0.141 1.00 1.00 H new ATOM 0 HA3 GLY A 18 54.916 -2.398 -0.936 1.00 1.00 H new ATOM 273 N GLY A 19 55.012 -3.349 -3.319 1.00 1.00 N ATOM 274 CA GLY A 19 54.773 -3.926 -4.672 1.00 1.00 C ATOM 275 C GLY A 19 55.426 -3.035 -5.735 1.00 1.00 C ATOM 276 O GLY A 19 56.544 -3.272 -6.146 1.00 1.00 O ATOM 0 H GLY A 19 55.254 -2.358 -3.305 1.00 1.00 H new ATOM 0 HA2 GLY A 19 55.184 -4.934 -4.726 1.00 1.00 H new ATOM 0 HA3 GLY A 19 53.702 -4.008 -4.859 1.00 1.00 H new ATOM 280 N PRO A 20 54.736 -2.015 -6.178 1.00 1.00 N ATOM 281 CA PRO A 20 55.262 -1.077 -7.208 1.00 1.00 C ATOM 282 C PRO A 20 56.742 -0.732 -6.989 1.00 1.00 C ATOM 283 O PRO A 20 57.071 0.288 -6.418 1.00 1.00 O ATOM 284 CB PRO A 20 54.384 0.164 -7.034 1.00 1.00 C ATOM 285 CG PRO A 20 53.080 -0.352 -6.519 1.00 1.00 C ATOM 286 CD PRO A 20 53.380 -1.641 -5.745 1.00 1.00 C ATOM 0 HA PRO A 20 55.223 -1.506 -8.209 1.00 1.00 H new ATOM 0 HB2 PRO A 20 54.833 0.870 -6.335 1.00 1.00 H new ATOM 0 HB3 PRO A 20 54.254 0.691 -7.979 1.00 1.00 H new ATOM 0 HG2 PRO A 20 52.603 0.384 -5.872 1.00 1.00 H new ATOM 0 HG3 PRO A 20 52.391 -0.548 -7.341 1.00 1.00 H new ATOM 0 HD2 PRO A 20 53.337 -1.478 -4.668 1.00 1.00 H new ATOM 0 HD3 PRO A 20 52.658 -2.423 -5.978 1.00 1.00 H new ATOM 294 N CYS A 21 57.637 -1.574 -7.445 1.00 1.00 N ATOM 295 CA CYS A 21 59.092 -1.291 -7.267 1.00 1.00 C ATOM 296 C CYS A 21 59.703 -0.893 -8.611 1.00 1.00 C ATOM 297 O CYS A 21 60.069 -1.733 -9.409 1.00 1.00 O ATOM 298 CB CYS A 21 59.801 -2.542 -6.741 1.00 1.00 C ATOM 299 SG CYS A 21 61.528 -2.144 -6.373 1.00 1.00 S ATOM 0 H CYS A 21 57.421 -2.444 -7.932 1.00 1.00 H new ATOM 0 HA CYS A 21 59.214 -0.477 -6.553 1.00 1.00 H new ATOM 0 HB2 CYS A 21 59.301 -2.907 -5.844 1.00 1.00 H new ATOM 0 HB3 CYS A 21 59.750 -3.341 -7.481 1.00 1.00 H new ATOM 304 N THR A 22 59.827 0.383 -8.867 1.00 1.00 N ATOM 305 CA THR A 22 60.425 0.830 -10.159 1.00 1.00 C ATOM 306 C THR A 22 61.279 2.082 -9.922 1.00 1.00 C ATOM 307 O THR A 22 60.772 3.186 -9.905 1.00 1.00 O ATOM 308 CB THR A 22 59.304 1.169 -11.144 1.00 1.00 C ATOM 309 OG1 THR A 22 58.722 2.414 -10.786 1.00 1.00 O ATOM 310 CG2 THR A 22 58.237 0.074 -11.102 1.00 1.00 C ATOM 0 H THR A 22 59.541 1.133 -8.238 1.00 1.00 H new ATOM 0 HA THR A 22 61.048 0.033 -10.566 1.00 1.00 H new ATOM 0 HB THR A 22 59.713 1.235 -12.152 1.00 1.00 H new ATOM 0 HG1 THR A 22 59.388 3.126 -10.883 1.00 1.00 H new ATOM 0 HG21 THR A 22 57.439 0.316 -11.804 1.00 1.00 H new ATOM 0 HG22 THR A 22 58.685 -0.881 -11.377 1.00 1.00 H new ATOM 0 HG23 THR A 22 57.826 0.005 -10.095 1.00 1.00 H new ATOM 318 N PRO A 23 62.568 1.917 -9.756 1.00 1.00 N ATOM 319 CA PRO A 23 63.501 3.062 -9.535 1.00 1.00 C ATOM 320 C PRO A 23 63.502 4.034 -10.720 1.00 1.00 C ATOM 321 O PRO A 23 62.524 4.163 -11.430 1.00 1.00 O ATOM 322 CB PRO A 23 64.883 2.404 -9.386 1.00 1.00 C ATOM 323 CG PRO A 23 64.617 0.962 -9.102 1.00 1.00 C ATOM 324 CD PRO A 23 63.275 0.628 -9.754 1.00 1.00 C ATOM 0 HA PRO A 23 63.212 3.653 -8.666 1.00 1.00 H new ATOM 0 HB2 PRO A 23 65.472 2.521 -10.295 1.00 1.00 H new ATOM 0 HB3 PRO A 23 65.450 2.864 -8.577 1.00 1.00 H new ATOM 0 HG2 PRO A 23 65.411 0.335 -9.507 1.00 1.00 H new ATOM 0 HG3 PRO A 23 64.582 0.779 -8.028 1.00 1.00 H new ATOM 0 HD2 PRO A 23 63.405 0.239 -10.764 1.00 1.00 H new ATOM 0 HD3 PRO A 23 62.731 -0.128 -9.189 1.00 1.00 H new ATOM 332 N ARG A 24 64.597 4.712 -10.938 1.00 1.00 N ATOM 333 CA ARG A 24 64.678 5.673 -12.078 1.00 1.00 C ATOM 334 C ARG A 24 65.626 5.110 -13.140 1.00 1.00 C ATOM 335 O ARG A 24 66.543 5.773 -13.582 1.00 1.00 O ATOM 336 CB ARG A 24 65.213 7.016 -11.574 1.00 1.00 C ATOM 337 CG ARG A 24 64.947 8.098 -12.622 1.00 1.00 C ATOM 338 CD ARG A 24 65.542 9.426 -12.149 1.00 1.00 C ATOM 339 NE ARG A 24 66.258 10.081 -13.280 1.00 1.00 N ATOM 340 CZ ARG A 24 67.414 9.622 -13.673 1.00 1.00 C ATOM 341 NH1 ARG A 24 67.944 8.590 -13.076 1.00 1.00 N ATOM 342 NH2 ARG A 24 68.041 10.196 -14.663 1.00 1.00 N ATOM 0 H ARG A 24 65.443 4.642 -10.373 1.00 1.00 H new ATOM 0 HA ARG A 24 63.688 5.818 -12.510 1.00 1.00 H new ATOM 0 HB2 ARG A 24 64.732 7.281 -10.633 1.00 1.00 H new ATOM 0 HB3 ARG A 24 66.282 6.942 -11.376 1.00 1.00 H new ATOM 0 HG2 ARG A 24 65.387 7.810 -13.577 1.00 1.00 H new ATOM 0 HG3 ARG A 24 63.875 8.206 -12.785 1.00 1.00 H new ATOM 0 HD2 ARG A 24 64.752 10.079 -11.778 1.00 1.00 H new ATOM 0 HD3 ARG A 24 66.229 9.254 -11.320 1.00 1.00 H new ATOM 0 HE ARG A 24 65.844 10.888 -13.747 1.00 1.00 H new ATOM 0 HH11 ARG A 24 67.454 8.142 -12.302 1.00 1.00 H new ATOM 0 HH12 ARG A 24 68.848 8.231 -13.384 1.00 1.00 H new ATOM 0 HH21 ARG A 24 67.627 11.003 -15.129 1.00 1.00 H new ATOM 0 HH22 ARG A 24 68.945 9.837 -14.971 1.00 1.00 H new ATOM 356 N LYS A 25 65.414 3.889 -13.548 1.00 1.00 N ATOM 357 CA LYS A 25 66.304 3.279 -14.577 1.00 1.00 C ATOM 358 C LYS A 25 66.001 3.892 -15.945 1.00 1.00 C ATOM 359 O LYS A 25 65.873 3.196 -16.933 1.00 1.00 O ATOM 360 CB LYS A 25 66.058 1.768 -14.628 1.00 1.00 C ATOM 361 CG LYS A 25 64.630 1.495 -15.103 1.00 1.00 C ATOM 362 CD LYS A 25 64.025 0.357 -14.277 1.00 1.00 C ATOM 363 CE LYS A 25 62.653 -0.013 -14.844 1.00 1.00 C ATOM 364 NZ LYS A 25 61.881 -0.770 -13.819 1.00 1.00 N ATOM 0 H LYS A 25 64.662 3.286 -13.213 1.00 1.00 H new ATOM 0 HA LYS A 25 67.345 3.471 -14.318 1.00 1.00 H new ATOM 0 HB2 LYS A 25 66.773 1.296 -15.302 1.00 1.00 H new ATOM 0 HB3 LYS A 25 66.214 1.331 -13.642 1.00 1.00 H new ATOM 0 HG2 LYS A 25 64.023 2.395 -15.001 1.00 1.00 H new ATOM 0 HG3 LYS A 25 64.632 1.230 -16.160 1.00 1.00 H new ATOM 0 HD2 LYS A 25 64.684 -0.511 -14.297 1.00 1.00 H new ATOM 0 HD3 LYS A 25 63.929 0.661 -13.235 1.00 1.00 H new ATOM 0 HE2 LYS A 25 62.111 0.888 -15.131 1.00 1.00 H new ATOM 0 HE3 LYS A 25 62.770 -0.615 -15.745 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 60.948 -1.022 -14.203 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 62.397 -1.637 -13.566 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 61.758 -0.180 -12.971 1.00 1.00 H new ATOM 378 N GLY A 26 65.886 5.191 -16.012 1.00 1.00 N ATOM 379 CA GLY A 26 65.593 5.850 -17.318 1.00 1.00 C ATOM 380 C GLY A 26 66.911 6.234 -18.007 1.00 1.00 C ATOM 381 O GLY A 26 67.693 5.376 -18.365 1.00 1.00 O ATOM 0 H GLY A 26 65.982 5.825 -15.219 1.00 1.00 H new ATOM 0 HA2 GLY A 26 65.020 5.177 -17.956 1.00 1.00 H new ATOM 0 HA3 GLY A 26 64.981 6.738 -17.160 1.00 1.00 H new ATOM 385 N PRO A 27 67.164 7.509 -18.195 1.00 1.00 N ATOM 386 CA PRO A 27 68.416 7.985 -18.854 1.00 1.00 C ATOM 387 C PRO A 27 69.659 7.230 -18.359 1.00 1.00 C ATOM 388 O PRO A 27 69.659 6.666 -17.283 1.00 1.00 O ATOM 389 CB PRO A 27 68.488 9.460 -18.456 1.00 1.00 C ATOM 390 CG PRO A 27 67.067 9.876 -18.256 1.00 1.00 C ATOM 391 CD PRO A 27 66.295 8.631 -17.804 1.00 1.00 C ATOM 0 HA PRO A 27 68.398 7.823 -19.932 1.00 1.00 H new ATOM 0 HB2 PRO A 27 69.071 9.595 -17.545 1.00 1.00 H new ATOM 0 HB3 PRO A 27 68.968 10.055 -19.233 1.00 1.00 H new ATOM 0 HG2 PRO A 27 66.998 10.665 -17.508 1.00 1.00 H new ATOM 0 HG3 PRO A 27 66.648 10.275 -19.180 1.00 1.00 H new ATOM 0 HD2 PRO A 27 66.116 8.641 -16.729 1.00 1.00 H new ATOM 0 HD3 PRO A 27 65.321 8.568 -18.288 1.00 1.00 H new ATOM 399 N PRO A 28 70.714 7.227 -19.137 1.00 1.00 N ATOM 400 CA PRO A 28 71.983 6.539 -18.768 1.00 1.00 C ATOM 401 C PRO A 28 72.342 6.738 -17.292 1.00 1.00 C ATOM 402 O PRO A 28 71.786 7.583 -16.618 1.00 1.00 O ATOM 403 CB PRO A 28 73.021 7.205 -19.671 1.00 1.00 C ATOM 404 CG PRO A 28 72.263 7.626 -20.888 1.00 1.00 C ATOM 405 CD PRO A 28 70.816 7.881 -20.452 1.00 1.00 C ATOM 0 HA PRO A 28 71.918 5.459 -18.899 1.00 1.00 H new ATOM 0 HB2 PRO A 28 73.482 8.061 -19.178 1.00 1.00 H new ATOM 0 HB3 PRO A 28 73.824 6.513 -19.926 1.00 1.00 H new ATOM 0 HG2 PRO A 28 72.699 8.526 -21.321 1.00 1.00 H new ATOM 0 HG3 PRO A 28 72.304 6.852 -21.654 1.00 1.00 H new ATOM 0 HD2 PRO A 28 70.603 8.948 -20.384 1.00 1.00 H new ATOM 0 HD3 PRO A 28 70.106 7.459 -21.163 1.00 1.00 H new ATOM 413 N LYS A 29 73.261 5.963 -16.781 1.00 1.00 N ATOM 414 CA LYS A 29 73.645 6.111 -15.349 1.00 1.00 C ATOM 415 C LYS A 29 75.119 5.739 -15.162 1.00 1.00 C ATOM 416 O LYS A 29 75.460 4.980 -14.282 1.00 1.00 O ATOM 417 CB LYS A 29 72.776 5.191 -14.487 1.00 1.00 C ATOM 418 CG LYS A 29 72.800 3.774 -15.064 1.00 1.00 C ATOM 419 CD LYS A 29 71.957 3.728 -16.340 1.00 1.00 C ATOM 420 CE LYS A 29 71.171 2.417 -16.386 1.00 1.00 C ATOM 421 NZ LYS A 29 72.047 1.296 -15.943 1.00 1.00 N ATOM 0 H LYS A 29 73.761 5.236 -17.293 1.00 1.00 H new ATOM 0 HA LYS A 29 73.494 7.147 -15.046 1.00 1.00 H new ATOM 0 HB2 LYS A 29 73.144 5.183 -13.461 1.00 1.00 H new ATOM 0 HB3 LYS A 29 71.753 5.565 -14.456 1.00 1.00 H new ATOM 0 HG2 LYS A 29 73.826 3.476 -15.282 1.00 1.00 H new ATOM 0 HG3 LYS A 29 72.411 3.066 -14.333 1.00 1.00 H new ATOM 0 HD2 LYS A 29 71.272 4.576 -16.367 1.00 1.00 H new ATOM 0 HD3 LYS A 29 72.600 3.810 -17.216 1.00 1.00 H new ATOM 0 HE2 LYS A 29 70.294 2.484 -15.742 1.00 1.00 H new ATOM 0 HE3 LYS A 29 70.810 2.232 -17.398 1.00 1.00 H new ATOM 0 HZ1 LYS A 29 71.778 0.426 -16.445 1.00 1.00 H new ATOM 0 HZ2 LYS A 29 73.039 1.526 -16.156 1.00 1.00 H new ATOM 0 HZ3 LYS A 29 71.937 1.153 -14.919 1.00 1.00 H new ATOM 435 N CYS A 30 75.988 6.279 -15.981 1.00 1.00 N ATOM 436 CA CYS A 30 77.447 5.978 -15.857 1.00 1.00 C ATOM 437 C CYS A 30 77.647 4.509 -15.468 1.00 1.00 C ATOM 438 O CYS A 30 77.473 4.126 -14.328 1.00 1.00 O ATOM 439 CB CYS A 30 78.063 6.895 -14.791 1.00 1.00 C ATOM 440 SG CYS A 30 79.251 5.959 -13.796 1.00 1.00 S ATOM 0 H CYS A 30 75.746 6.921 -16.736 1.00 1.00 H new ATOM 0 HA CYS A 30 77.938 6.155 -16.814 1.00 1.00 H new ATOM 0 HB2 CYS A 30 78.559 7.741 -15.267 1.00 1.00 H new ATOM 0 HB3 CYS A 30 77.280 7.303 -14.152 1.00 1.00 H new ATOM 445 N LYS A 31 78.022 3.682 -16.409 1.00 1.00 N ATOM 446 CA LYS A 31 78.242 2.238 -16.098 1.00 1.00 C ATOM 447 C LYS A 31 79.745 1.980 -15.951 1.00 1.00 C ATOM 448 O LYS A 31 80.166 0.903 -15.581 1.00 1.00 O ATOM 449 CB LYS A 31 77.678 1.355 -17.232 1.00 1.00 C ATOM 450 CG LYS A 31 76.781 2.192 -18.146 1.00 1.00 C ATOM 451 CD LYS A 31 77.511 2.474 -19.460 1.00 1.00 C ATOM 452 CE LYS A 31 78.694 3.408 -19.197 1.00 1.00 C ATOM 453 NZ LYS A 31 78.191 4.785 -18.934 1.00 1.00 N ATOM 0 H LYS A 31 78.186 3.945 -17.381 1.00 1.00 H new ATOM 0 HA LYS A 31 77.728 1.989 -15.169 1.00 1.00 H new ATOM 0 HB2 LYS A 31 78.496 0.921 -17.808 1.00 1.00 H new ATOM 0 HB3 LYS A 31 77.110 0.526 -16.811 1.00 1.00 H new ATOM 0 HG2 LYS A 31 75.849 1.662 -18.342 1.00 1.00 H new ATOM 0 HG3 LYS A 31 76.518 3.129 -17.656 1.00 1.00 H new ATOM 0 HD2 LYS A 31 77.862 1.541 -19.901 1.00 1.00 H new ATOM 0 HD3 LYS A 31 76.828 2.928 -20.178 1.00 1.00 H new ATOM 0 HE2 LYS A 31 79.270 3.051 -18.344 1.00 1.00 H new ATOM 0 HE3 LYS A 31 79.365 3.412 -20.056 1.00 1.00 H new ATOM 0 HZ1 LYS A 31 78.901 5.316 -18.390 1.00 1.00 H new ATOM 0 HZ2 LYS A 31 78.014 5.268 -19.838 1.00 1.00 H new ATOM 0 HZ3 LYS A 31 77.306 4.733 -18.390 1.00 1.00 H new ATOM 467 N GLN A 32 80.556 2.961 -16.243 1.00 1.00 N ATOM 468 CA GLN A 32 82.030 2.772 -16.125 1.00 1.00 C ATOM 469 C GLN A 32 82.436 2.799 -14.650 1.00 1.00 C ATOM 470 O GLN A 32 82.073 1.930 -13.882 1.00 1.00 O ATOM 471 CB GLN A 32 82.748 3.896 -16.874 1.00 1.00 C ATOM 472 CG GLN A 32 82.631 3.662 -18.381 1.00 1.00 C ATOM 473 CD GLN A 32 83.238 4.849 -19.131 1.00 1.00 C ATOM 474 OE1 GLN A 32 82.527 5.629 -19.735 1.00 1.00 O ATOM 475 NE2 GLN A 32 84.531 5.021 -19.120 1.00 1.00 N ATOM 0 H GLN A 32 80.261 3.885 -16.558 1.00 1.00 H new ATOM 0 HA GLN A 32 82.308 1.811 -16.557 1.00 1.00 H new ATOM 0 HB2 GLN A 32 82.312 4.859 -16.610 1.00 1.00 H new ATOM 0 HB3 GLN A 32 83.797 3.930 -16.581 1.00 1.00 H new ATOM 0 HG2 GLN A 32 83.146 2.742 -18.658 1.00 1.00 H new ATOM 0 HG3 GLN A 32 81.585 3.538 -18.660 1.00 1.00 H new ATOM 0 HE21 GLN A 32 85.128 4.367 -18.614 1.00 1.00 H new ATOM 0 HE22 GLN A 32 84.945 5.809 -19.618 1.00 1.00 H new ATOM 484 N ARG A 33 83.190 3.790 -14.250 1.00 1.00 N ATOM 485 CA ARG A 33 83.628 3.880 -12.825 1.00 1.00 C ATOM 486 C ARG A 33 83.361 5.294 -12.300 1.00 1.00 C ATOM 487 O ARG A 33 82.245 5.774 -12.326 1.00 1.00 O ATOM 488 CB ARG A 33 85.127 3.572 -12.734 1.00 1.00 C ATOM 489 CG ARG A 33 85.509 3.309 -11.276 1.00 1.00 C ATOM 490 CD ARG A 33 85.263 1.837 -10.941 1.00 1.00 C ATOM 491 NE ARG A 33 86.499 1.051 -11.216 1.00 1.00 N ATOM 492 CZ ARG A 33 87.455 1.007 -10.329 1.00 1.00 C ATOM 493 NH1 ARG A 33 87.329 1.652 -9.201 1.00 1.00 N ATOM 494 NH2 ARG A 33 88.537 0.319 -10.570 1.00 1.00 N ATOM 0 H ARG A 33 83.522 4.544 -14.851 1.00 1.00 H new ATOM 0 HA ARG A 33 83.073 3.160 -12.224 1.00 1.00 H new ATOM 0 HB2 ARG A 33 85.368 2.703 -13.346 1.00 1.00 H new ATOM 0 HB3 ARG A 33 85.705 4.409 -13.127 1.00 1.00 H new ATOM 0 HG2 ARG A 33 86.557 3.560 -11.113 1.00 1.00 H new ATOM 0 HG3 ARG A 33 84.922 3.946 -10.615 1.00 1.00 H new ATOM 0 HD2 ARG A 33 84.979 1.734 -9.894 1.00 1.00 H new ATOM 0 HD3 ARG A 33 84.434 1.451 -11.535 1.00 1.00 H new ATOM 0 HE ARG A 33 86.598 0.547 -12.098 1.00 1.00 H new ATOM 0 HH11 ARG A 33 86.483 2.190 -9.013 1.00 1.00 H new ATOM 0 HH12 ARG A 33 88.076 1.618 -8.508 1.00 1.00 H new ATOM 0 HH21 ARG A 33 88.636 -0.184 -11.452 1.00 1.00 H new ATOM 0 HH22 ARG A 33 89.284 0.285 -9.877 1.00 1.00 H new ATOM 508 N GLN A 34 84.376 5.964 -11.822 1.00 1.00 N ATOM 509 CA GLN A 34 84.181 7.347 -11.295 1.00 1.00 C ATOM 510 C GLN A 34 85.405 8.200 -11.636 1.00 1.00 C ATOM 511 O GLN A 34 86.144 7.904 -12.554 1.00 1.00 O ATOM 512 CB GLN A 34 84.004 7.292 -9.775 1.00 1.00 C ATOM 513 CG GLN A 34 82.711 6.548 -9.438 1.00 1.00 C ATOM 514 CD GLN A 34 82.337 6.808 -7.977 1.00 1.00 C ATOM 515 OE1 GLN A 34 81.083 6.971 -7.656 1.00 1.00 O flip ATOM 516 NE2 GLN A 34 83.195 6.864 -7.119 1.00 1.00 N flip ATOM 0 H GLN A 34 85.333 5.613 -11.774 1.00 1.00 H new ATOM 0 HA GLN A 34 83.294 7.788 -11.749 1.00 1.00 H new ATOM 0 HB2 GLN A 34 84.856 6.789 -9.317 1.00 1.00 H new ATOM 0 HB3 GLN A 34 83.972 8.302 -9.365 1.00 1.00 H new ATOM 0 HG2 GLN A 34 81.907 6.880 -10.095 1.00 1.00 H new ATOM 0 HG3 GLN A 34 82.840 5.479 -9.607 1.00 1.00 H new ATOM 0 HE21 GLN A 34 84.176 6.737 -7.369 1.00 1.00 H new ATOM 0 HE22 GLN A 34 82.935 7.038 -6.148 1.00 1.00 H new ATOM 525 N THR A 35 85.624 9.260 -10.906 1.00 1.00 N ATOM 526 CA THR A 35 86.798 10.133 -11.189 1.00 1.00 C ATOM 527 C THR A 35 88.086 9.316 -11.075 1.00 1.00 C ATOM 528 O THR A 35 88.712 8.985 -12.062 1.00 1.00 O ATOM 529 CB THR A 35 86.833 11.283 -10.180 1.00 1.00 C ATOM 530 OG1 THR A 35 85.656 12.066 -10.317 1.00 1.00 O ATOM 531 CG2 THR A 35 88.062 12.156 -10.440 1.00 1.00 C ATOM 0 H THR A 35 85.040 9.559 -10.125 1.00 1.00 H new ATOM 0 HA THR A 35 86.714 10.536 -12.198 1.00 1.00 H new ATOM 0 HB THR A 35 86.886 10.878 -9.169 1.00 1.00 H new ATOM 0 HG1 THR A 35 85.676 12.802 -9.670 1.00 1.00 H new ATOM 0 HG21 THR A 35 88.086 12.975 -9.721 1.00 1.00 H new ATOM 0 HG22 THR A 35 88.965 11.554 -10.335 1.00 1.00 H new ATOM 0 HG23 THR A 35 88.013 12.562 -11.450 1.00 1.00 H new ATOM 539 N ARG A 36 88.491 8.990 -9.877 1.00 1.00 N ATOM 540 CA ARG A 36 89.742 8.197 -9.704 1.00 1.00 C ATOM 541 C ARG A 36 89.692 7.454 -8.364 1.00 1.00 C ATOM 542 O ARG A 36 90.193 7.923 -7.362 1.00 1.00 O ATOM 543 CB ARG A 36 90.950 9.148 -9.732 1.00 1.00 C ATOM 544 CG ARG A 36 92.107 8.484 -10.481 1.00 1.00 C ATOM 545 CD ARG A 36 92.538 7.219 -9.738 1.00 1.00 C ATOM 546 NE ARG A 36 91.955 6.024 -10.411 1.00 1.00 N ATOM 547 CZ ARG A 36 92.532 5.526 -11.471 1.00 1.00 C ATOM 548 NH1 ARG A 36 93.619 6.075 -11.941 1.00 1.00 N ATOM 549 NH2 ARG A 36 92.021 4.480 -12.061 1.00 1.00 N ATOM 0 H ARG A 36 88.011 9.238 -9.012 1.00 1.00 H new ATOM 0 HA ARG A 36 89.836 7.471 -10.511 1.00 1.00 H new ATOM 0 HB2 ARG A 36 90.678 10.084 -10.219 1.00 1.00 H new ATOM 0 HB3 ARG A 36 91.255 9.395 -8.715 1.00 1.00 H new ATOM 0 HG2 ARG A 36 91.801 8.235 -11.497 1.00 1.00 H new ATOM 0 HG3 ARG A 36 92.946 9.175 -10.561 1.00 1.00 H new ATOM 0 HD2 ARG A 36 93.625 7.146 -9.722 1.00 1.00 H new ATOM 0 HD3 ARG A 36 92.207 7.263 -8.701 1.00 1.00 H new ATOM 0 HE ARG A 36 91.105 5.595 -10.044 1.00 1.00 H new ATOM 0 HH11 ARG A 36 94.018 6.893 -11.480 1.00 1.00 H new ATOM 0 HH12 ARG A 36 94.070 5.686 -12.769 1.00 1.00 H new ATOM 0 HH21 ARG A 36 91.171 4.052 -11.694 1.00 1.00 H new ATOM 0 HH22 ARG A 36 92.472 4.091 -12.889 1.00 1.00 H new ATOM 563 N GLN A 37 89.091 6.297 -8.337 1.00 1.00 N ATOM 564 CA GLN A 37 89.015 5.530 -7.063 1.00 1.00 C ATOM 565 C GLN A 37 88.465 6.429 -5.956 1.00 1.00 C ATOM 566 O GLN A 37 87.938 7.492 -6.212 1.00 1.00 O ATOM 567 CB GLN A 37 90.413 5.046 -6.674 1.00 1.00 C ATOM 568 CG GLN A 37 90.926 4.060 -7.726 1.00 1.00 C ATOM 569 CD GLN A 37 91.983 3.149 -7.099 1.00 1.00 C ATOM 570 OE1 GLN A 37 91.643 1.953 -6.702 1.00 1.00 O flip ATOM 571 NE2 GLN A 37 93.130 3.529 -6.971 1.00 1.00 N flip ATOM 0 H GLN A 37 88.650 5.850 -9.141 1.00 1.00 H new ATOM 0 HA GLN A 37 88.356 4.672 -7.197 1.00 1.00 H new ATOM 0 HB2 GLN A 37 91.093 5.894 -6.593 1.00 1.00 H new ATOM 0 HB3 GLN A 37 90.384 4.567 -5.695 1.00 1.00 H new ATOM 0 HG2 GLN A 37 90.100 3.463 -8.114 1.00 1.00 H new ATOM 0 HG3 GLN A 37 91.352 4.602 -8.570 1.00 1.00 H new ATOM 0 HE21 GLN A 37 93.395 4.464 -7.281 1.00 1.00 H new ATOM 0 HE22 GLN A 37 93.828 2.913 -6.553 1.00 1.00 H new ATOM 580 N CYS A 38 88.578 6.008 -4.725 1.00 1.00 N ATOM 581 CA CYS A 38 88.057 6.838 -3.602 1.00 1.00 C ATOM 582 C CYS A 38 88.893 6.584 -2.345 1.00 1.00 C ATOM 583 O CYS A 38 88.987 7.424 -1.471 1.00 1.00 O ATOM 584 CB CYS A 38 86.598 6.463 -3.330 1.00 1.00 C ATOM 585 SG CYS A 38 85.747 6.175 -4.901 1.00 1.00 S ATOM 0 H CYS A 38 89.008 5.125 -4.449 1.00 1.00 H new ATOM 0 HA CYS A 38 88.120 7.893 -3.869 1.00 1.00 H new ATOM 0 HB2 CYS A 38 86.551 5.568 -2.709 1.00 1.00 H new ATOM 0 HB3 CYS A 38 86.103 7.261 -2.777 1.00 1.00 H new ATOM 590 N LYS A 39 89.497 5.432 -2.245 1.00 1.00 N ATOM 591 CA LYS A 39 90.324 5.122 -1.043 1.00 1.00 C ATOM 592 C LYS A 39 91.228 6.312 -0.711 1.00 1.00 C ATOM 593 O LYS A 39 91.783 6.401 0.366 1.00 1.00 O ATOM 594 CB LYS A 39 91.193 3.899 -1.331 1.00 1.00 C ATOM 595 CG LYS A 39 90.300 2.699 -1.654 1.00 1.00 C ATOM 596 CD LYS A 39 91.163 1.541 -2.158 1.00 1.00 C ATOM 597 CE LYS A 39 91.235 1.585 -3.686 1.00 1.00 C ATOM 598 NZ LYS A 39 91.876 2.860 -4.116 1.00 1.00 N ATOM 0 H LYS A 39 89.454 4.691 -2.944 1.00 1.00 H new ATOM 0 HA LYS A 39 89.666 4.921 -0.197 1.00 1.00 H new ATOM 0 HB2 LYS A 39 91.861 4.104 -2.168 1.00 1.00 H new ATOM 0 HB3 LYS A 39 91.821 3.676 -0.469 1.00 1.00 H new ATOM 0 HG2 LYS A 39 89.747 2.394 -0.766 1.00 1.00 H new ATOM 0 HG3 LYS A 39 89.564 2.973 -2.409 1.00 1.00 H new ATOM 0 HD2 LYS A 39 92.165 1.609 -1.734 1.00 1.00 H new ATOM 0 HD3 LYS A 39 90.742 0.590 -1.830 1.00 1.00 H new ATOM 0 HE2 LYS A 39 91.806 0.735 -4.059 1.00 1.00 H new ATOM 0 HE3 LYS A 39 90.234 1.507 -4.110 1.00 1.00 H new ATOM 0 HZ1 LYS A 39 92.321 2.728 -5.047 1.00 1.00 H new ATOM 0 HZ2 LYS A 39 91.155 3.607 -4.180 1.00 1.00 H new ATOM 0 HZ3 LYS A 39 92.600 3.136 -3.422 1.00 1.00 H new ATOM 612 N SER A 40 91.385 7.225 -1.628 1.00 1.00 N ATOM 613 CA SER A 40 92.257 8.401 -1.361 1.00 1.00 C ATOM 614 C SER A 40 91.539 9.377 -0.426 1.00 1.00 C ATOM 615 O SER A 40 91.470 10.561 -0.688 1.00 1.00 O ATOM 616 CB SER A 40 92.578 9.104 -2.680 1.00 1.00 C ATOM 617 OG SER A 40 93.594 10.073 -2.460 1.00 1.00 O ATOM 0 H SER A 40 90.948 7.207 -2.549 1.00 1.00 H new ATOM 0 HA SER A 40 93.181 8.065 -0.890 1.00 1.00 H new ATOM 0 HB2 SER A 40 92.907 8.377 -3.422 1.00 1.00 H new ATOM 0 HB3 SER A 40 91.683 9.582 -3.078 1.00 1.00 H new ATOM 0 HG SER A 40 93.295 10.711 -1.779 1.00 1.00 H new ATOM 623 N LYS A 41 91.002 8.893 0.664 1.00 1.00 N ATOM 624 CA LYS A 41 90.288 9.802 1.610 1.00 1.00 C ATOM 625 C LYS A 41 90.469 9.296 3.049 1.00 1.00 C ATOM 626 O LYS A 41 90.472 8.106 3.295 1.00 1.00 O ATOM 627 CB LYS A 41 88.797 9.819 1.266 1.00 1.00 C ATOM 628 CG LYS A 41 88.218 8.413 1.434 1.00 1.00 C ATOM 629 CD LYS A 41 86.804 8.370 0.852 1.00 1.00 C ATOM 630 CE LYS A 41 85.895 9.308 1.649 1.00 1.00 C ATOM 631 NZ LYS A 41 84.471 8.932 1.422 1.00 1.00 N ATOM 0 H LYS A 41 91.027 7.911 0.939 1.00 1.00 H new ATOM 0 HA LYS A 41 90.699 10.808 1.525 1.00 1.00 H new ATOM 0 HB2 LYS A 41 88.271 10.520 1.914 1.00 1.00 H new ATOM 0 HB3 LYS A 41 88.653 10.163 0.242 1.00 1.00 H new ATOM 0 HG2 LYS A 41 88.853 7.684 0.930 1.00 1.00 H new ATOM 0 HG3 LYS A 41 88.197 8.141 2.489 1.00 1.00 H new ATOM 0 HD2 LYS A 41 86.822 8.668 -0.196 1.00 1.00 H new ATOM 0 HD3 LYS A 41 86.415 7.352 0.888 1.00 1.00 H new ATOM 0 HE2 LYS A 41 86.133 9.247 2.711 1.00 1.00 H new ATOM 0 HE3 LYS A 41 86.063 10.341 1.343 1.00 1.00 H new ATOM 0 HZ1 LYS A 41 83.853 9.569 1.964 1.00 1.00 H new ATOM 0 HZ2 LYS A 41 84.248 9.012 0.409 1.00 1.00 H new ATOM 0 HZ3 LYS A 41 84.317 7.952 1.734 1.00 1.00 H new ATOM 645 N PRO A 42 90.612 10.193 3.997 1.00 1.00 N ATOM 646 CA PRO A 42 90.787 9.823 5.434 1.00 1.00 C ATOM 647 C PRO A 42 89.476 9.336 6.068 1.00 1.00 C ATOM 648 O PRO A 42 88.403 9.593 5.560 1.00 1.00 O ATOM 649 CB PRO A 42 91.246 11.130 6.088 1.00 1.00 C ATOM 650 CG PRO A 42 90.675 12.210 5.230 1.00 1.00 C ATOM 651 CD PRO A 42 90.620 11.653 3.805 1.00 1.00 C ATOM 0 HA PRO A 42 91.491 9.001 5.562 1.00 1.00 H new ATOM 0 HB2 PRO A 42 90.884 11.207 7.113 1.00 1.00 H new ATOM 0 HB3 PRO A 42 92.334 11.191 6.128 1.00 1.00 H new ATOM 0 HG2 PRO A 42 89.680 12.493 5.574 1.00 1.00 H new ATOM 0 HG3 PRO A 42 91.294 13.106 5.272 1.00 1.00 H new ATOM 0 HD2 PRO A 42 89.728 11.992 3.278 1.00 1.00 H new ATOM 0 HD3 PRO A 42 91.480 11.974 3.217 1.00 1.00 H new ATOM 659 N PRO A 43 89.567 8.641 7.172 1.00 1.00 N ATOM 660 CA PRO A 43 88.370 8.111 7.890 1.00 1.00 C ATOM 661 C PRO A 43 87.499 9.235 8.465 1.00 1.00 C ATOM 662 O PRO A 43 87.997 10.210 8.992 1.00 1.00 O ATOM 663 CB PRO A 43 88.963 7.253 9.017 1.00 1.00 C ATOM 664 CG PRO A 43 90.353 7.760 9.215 1.00 1.00 C ATOM 665 CD PRO A 43 90.820 8.288 7.858 1.00 1.00 C ATOM 0 HA PRO A 43 87.713 7.551 7.225 1.00 1.00 H new ATOM 0 HB2 PRO A 43 88.377 7.347 9.931 1.00 1.00 H new ATOM 0 HB3 PRO A 43 88.965 6.197 8.747 1.00 1.00 H new ATOM 0 HG2 PRO A 43 90.375 8.549 9.967 1.00 1.00 H new ATOM 0 HG3 PRO A 43 91.009 6.965 9.569 1.00 1.00 H new ATOM 0 HD2 PRO A 43 91.474 9.153 7.968 1.00 1.00 H new ATOM 0 HD3 PRO A 43 91.380 7.533 7.306 1.00 1.00 H new ATOM 673 N LYS A 44 86.201 9.105 8.365 1.00 1.00 N ATOM 674 CA LYS A 44 85.292 10.163 8.901 1.00 1.00 C ATOM 675 C LYS A 44 84.699 9.695 10.233 1.00 1.00 C ATOM 676 O LYS A 44 85.099 8.689 10.784 1.00 1.00 O ATOM 677 CB LYS A 44 84.160 10.418 7.890 1.00 1.00 C ATOM 678 CG LYS A 44 84.289 11.832 7.319 1.00 1.00 C ATOM 679 CD LYS A 44 85.535 11.914 6.435 1.00 1.00 C ATOM 680 CE LYS A 44 85.183 11.474 5.013 1.00 1.00 C ATOM 681 NZ LYS A 44 86.374 11.637 4.133 1.00 1.00 N ATOM 0 H LYS A 44 85.730 8.309 7.934 1.00 1.00 H new ATOM 0 HA LYS A 44 85.851 11.085 9.059 1.00 1.00 H new ATOM 0 HB2 LYS A 44 84.206 9.685 7.085 1.00 1.00 H new ATOM 0 HB3 LYS A 44 83.192 10.298 8.376 1.00 1.00 H new ATOM 0 HG2 LYS A 44 83.401 12.084 6.739 1.00 1.00 H new ATOM 0 HG3 LYS A 44 84.357 12.558 8.129 1.00 1.00 H new ATOM 0 HD2 LYS A 44 85.921 12.933 6.426 1.00 1.00 H new ATOM 0 HD3 LYS A 44 86.323 11.278 6.839 1.00 1.00 H new ATOM 0 HE2 LYS A 44 84.857 10.434 5.013 1.00 1.00 H new ATOM 0 HE3 LYS A 44 84.352 12.068 4.632 1.00 1.00 H new ATOM 0 HZ1 LYS A 44 86.087 11.535 3.138 1.00 1.00 H new ATOM 0 HZ2 LYS A 44 86.787 12.580 4.280 1.00 1.00 H new ATOM 0 HZ3 LYS A 44 87.080 10.910 4.366 1.00 1.00 H new ATOM 695 N LYS A 45 83.746 10.421 10.753 1.00 1.00 N ATOM 696 CA LYS A 45 83.126 10.022 12.048 1.00 1.00 C ATOM 697 C LYS A 45 82.642 8.573 11.956 1.00 1.00 C ATOM 698 O LYS A 45 82.511 7.888 12.951 1.00 1.00 O ATOM 699 CB LYS A 45 81.935 10.936 12.345 1.00 1.00 C ATOM 700 CG LYS A 45 82.405 12.392 12.383 1.00 1.00 C ATOM 701 CD LYS A 45 81.291 13.273 12.952 1.00 1.00 C ATOM 702 CE LYS A 45 80.105 13.285 11.985 1.00 1.00 C ATOM 703 NZ LYS A 45 79.207 14.428 12.315 1.00 1.00 N ATOM 0 H LYS A 45 83.371 11.273 10.336 1.00 1.00 H new ATOM 0 HA LYS A 45 83.863 10.111 12.846 1.00 1.00 H new ATOM 0 HB2 LYS A 45 81.167 10.810 11.581 1.00 1.00 H new ATOM 0 HB3 LYS A 45 81.483 10.664 13.299 1.00 1.00 H new ATOM 0 HG2 LYS A 45 83.302 12.480 12.996 1.00 1.00 H new ATOM 0 HG3 LYS A 45 82.671 12.726 11.380 1.00 1.00 H new ATOM 0 HD2 LYS A 45 80.976 12.896 13.925 1.00 1.00 H new ATOM 0 HD3 LYS A 45 81.658 14.288 13.106 1.00 1.00 H new ATOM 0 HE2 LYS A 45 80.460 13.372 10.958 1.00 1.00 H new ATOM 0 HE3 LYS A 45 79.556 12.346 12.054 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 78.401 14.437 11.658 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 78.859 14.326 13.290 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 79.734 15.320 12.228 1.00 1.00 H new ATOM 717 N GLY A 46 82.374 8.101 10.769 1.00 1.00 N ATOM 718 CA GLY A 46 81.897 6.697 10.617 1.00 1.00 C ATOM 719 C GLY A 46 80.420 6.615 11.008 1.00 1.00 C ATOM 720 O GLY A 46 79.577 6.252 10.212 1.00 1.00 O ATOM 0 H GLY A 46 82.465 8.626 9.899 1.00 1.00 H new ATOM 0 HA2 GLY A 46 82.031 6.366 9.587 1.00 1.00 H new ATOM 0 HA3 GLY A 46 82.488 6.031 11.245 1.00 1.00 H new ATOM 724 N VAL A 47 80.100 6.952 12.228 1.00 1.00 N ATOM 725 CA VAL A 47 78.677 6.894 12.669 1.00 1.00 C ATOM 726 C VAL A 47 77.793 7.595 11.636 1.00 1.00 C ATOM 727 O VAL A 47 78.228 8.490 10.938 1.00 1.00 O ATOM 728 CB VAL A 47 78.535 7.595 14.022 1.00 1.00 C ATOM 729 CG1 VAL A 47 77.055 7.690 14.395 1.00 1.00 C ATOM 730 CG2 VAL A 47 79.279 6.792 15.091 1.00 1.00 C ATOM 0 H VAL A 47 80.762 7.265 12.938 1.00 1.00 H new ATOM 0 HA VAL A 47 78.368 5.853 12.764 1.00 1.00 H new ATOM 0 HB VAL A 47 78.958 8.597 13.958 1.00 1.00 H new ATOM 0 HG11 VAL A 47 76.954 8.189 15.359 1.00 1.00 H new ATOM 0 HG12 VAL A 47 76.524 8.261 13.633 1.00 1.00 H new ATOM 0 HG13 VAL A 47 76.631 6.688 14.459 1.00 1.00 H new ATOM 0 HG21 VAL A 47 79.179 7.290 16.055 1.00 1.00 H new ATOM 0 HG22 VAL A 47 78.855 5.790 15.154 1.00 1.00 H new ATOM 0 HG23 VAL A 47 80.334 6.723 14.826 1.00 1.00 H new ATOM 740 N GLN A 48 76.554 7.198 11.534 1.00 1.00 N ATOM 741 CA GLN A 48 75.645 7.845 10.546 1.00 1.00 C ATOM 742 C GLN A 48 75.706 9.363 10.722 1.00 1.00 C ATOM 743 O GLN A 48 75.559 9.878 11.813 1.00 1.00 O ATOM 744 CB GLN A 48 74.211 7.355 10.773 1.00 1.00 C ATOM 745 CG GLN A 48 73.695 7.878 12.115 1.00 1.00 C ATOM 746 CD GLN A 48 73.039 9.245 11.912 1.00 1.00 C ATOM 747 OE1 GLN A 48 73.369 10.197 12.591 1.00 1.00 O ATOM 748 NE2 GLN A 48 72.116 9.383 11.000 1.00 1.00 N ATOM 0 H GLN A 48 76.132 6.455 12.091 1.00 1.00 H new ATOM 0 HA GLN A 48 75.957 7.584 9.535 1.00 1.00 H new ATOM 0 HB2 GLN A 48 73.566 7.700 9.965 1.00 1.00 H new ATOM 0 HB3 GLN A 48 74.182 6.265 10.761 1.00 1.00 H new ATOM 0 HG2 GLN A 48 72.976 7.177 12.538 1.00 1.00 H new ATOM 0 HG3 GLN A 48 74.517 7.959 12.826 1.00 1.00 H new ATOM 0 HE21 GLN A 48 71.839 8.584 10.430 1.00 1.00 H new ATOM 0 HE22 GLN A 48 71.672 10.290 10.857 1.00 1.00 H new ATOM 757 N GLY A 49 75.926 10.085 9.658 1.00 1.00 N ATOM 758 CA GLY A 49 76.000 11.571 9.766 1.00 1.00 C ATOM 759 C GLY A 49 75.544 12.202 8.451 1.00 1.00 C ATOM 760 O GLY A 49 74.594 12.958 8.411 1.00 1.00 O ATOM 0 H GLY A 49 76.058 9.711 8.718 1.00 1.00 H new ATOM 0 HA2 GLY A 49 75.371 11.918 10.586 1.00 1.00 H new ATOM 0 HA3 GLY A 49 77.020 11.879 9.995 1.00 1.00 H new ATOM 764 N CYS A 50 76.212 11.898 7.372 1.00 1.00 N ATOM 765 CA CYS A 50 75.812 12.484 6.061 1.00 1.00 C ATOM 766 C CYS A 50 74.347 12.133 5.780 1.00 1.00 C ATOM 767 O CYS A 50 73.450 12.883 6.109 1.00 1.00 O ATOM 768 CB CYS A 50 76.712 11.925 4.948 1.00 1.00 C ATOM 769 SG CYS A 50 78.060 10.968 5.686 1.00 1.00 S ATOM 0 H CYS A 50 77.016 11.271 7.341 1.00 1.00 H new ATOM 0 HA CYS A 50 75.924 13.568 6.092 1.00 1.00 H new ATOM 0 HB2 CYS A 50 76.129 11.294 4.277 1.00 1.00 H new ATOM 0 HB3 CYS A 50 77.116 12.741 4.349 1.00 1.00 H new ATOM 774 N GLY A 51 74.098 10.992 5.183 1.00 1.00 N ATOM 775 CA GLY A 51 72.694 10.571 4.880 1.00 1.00 C ATOM 776 C GLY A 51 71.781 11.793 4.736 1.00 1.00 C ATOM 777 O GLY A 51 70.687 11.825 5.263 1.00 1.00 O ATOM 0 H GLY A 51 74.815 10.328 4.890 1.00 1.00 H new ATOM 0 HA2 GLY A 51 72.675 9.986 3.960 1.00 1.00 H new ATOM 0 HA3 GLY A 51 72.323 9.925 5.676 1.00 1.00 H new ATOM 781 N ASP A 52 72.220 12.799 4.030 1.00 1.00 N ATOM 782 CA ASP A 52 71.370 14.013 3.863 1.00 1.00 C ATOM 783 C ASP A 52 71.789 14.766 2.598 1.00 1.00 C ATOM 784 O ASP A 52 71.018 15.507 2.023 1.00 1.00 O ATOM 785 CB ASP A 52 71.542 14.923 5.081 1.00 1.00 C ATOM 786 CG ASP A 52 70.582 16.109 4.972 1.00 1.00 C ATOM 787 OD1 ASP A 52 69.388 15.873 4.882 1.00 1.00 O ATOM 788 OD2 ASP A 52 71.057 17.233 4.979 1.00 1.00 O ATOM 0 H ASP A 52 73.126 12.834 3.563 1.00 1.00 H new ATOM 0 HA ASP A 52 70.325 13.715 3.774 1.00 1.00 H new ATOM 0 HB2 ASP A 52 71.345 14.365 5.996 1.00 1.00 H new ATOM 0 HB3 ASP A 52 72.571 15.278 5.140 1.00 1.00 H new ATOM 793 N ASP A 53 73.005 14.584 2.159 1.00 1.00 N ATOM 794 CA ASP A 53 73.465 15.291 0.931 1.00 1.00 C ATOM 795 C ASP A 53 72.503 14.988 -0.220 1.00 1.00 C ATOM 796 O ASP A 53 71.446 14.422 -0.023 1.00 1.00 O ATOM 797 CB ASP A 53 74.871 14.810 0.565 1.00 1.00 C ATOM 798 CG ASP A 53 75.493 15.774 -0.446 1.00 1.00 C ATOM 799 OD1 ASP A 53 75.580 16.951 -0.137 1.00 1.00 O ATOM 800 OD2 ASP A 53 75.873 15.320 -1.513 1.00 1.00 O ATOM 0 H ASP A 53 73.698 13.977 2.597 1.00 1.00 H new ATOM 0 HA ASP A 53 73.485 16.366 1.113 1.00 1.00 H new ATOM 0 HB2 ASP A 53 75.492 14.754 1.459 1.00 1.00 H new ATOM 0 HB3 ASP A 53 74.825 13.805 0.145 1.00 1.00 H new ATOM 805 N ILE A 54 72.861 15.359 -1.422 1.00 1.00 N ATOM 806 CA ILE A 54 71.969 15.093 -2.591 1.00 1.00 C ATOM 807 C ILE A 54 72.767 14.384 -3.690 1.00 1.00 C ATOM 808 O ILE A 54 73.188 14.993 -4.653 1.00 1.00 O ATOM 809 CB ILE A 54 71.434 16.423 -3.131 1.00 1.00 C ATOM 810 CG1 ILE A 54 70.687 17.160 -2.018 1.00 1.00 C ATOM 811 CG2 ILE A 54 70.477 16.155 -4.294 1.00 1.00 C ATOM 812 CD1 ILE A 54 70.422 18.604 -2.449 1.00 1.00 C ATOM 0 H ILE A 54 73.735 15.836 -1.645 1.00 1.00 H new ATOM 0 HA ILE A 54 71.137 14.461 -2.280 1.00 1.00 H new ATOM 0 HB ILE A 54 72.266 17.034 -3.479 1.00 1.00 H new ATOM 0 HG12 ILE A 54 69.745 16.655 -1.802 1.00 1.00 H new ATOM 0 HG13 ILE A 54 71.274 17.145 -1.100 1.00 1.00 H new ATOM 0 HG21 ILE A 54 70.097 17.102 -4.678 1.00 1.00 H new ATOM 0 HG22 ILE A 54 71.007 15.628 -5.088 1.00 1.00 H new ATOM 0 HG23 ILE A 54 69.644 15.544 -3.946 1.00 1.00 H new ATOM 0 HD11 ILE A 54 69.890 19.129 -1.656 1.00 1.00 H new ATOM 0 HD12 ILE A 54 71.370 19.106 -2.643 1.00 1.00 H new ATOM 0 HD13 ILE A 54 69.817 18.608 -3.356 1.00 1.00 H new ATOM 824 N PRO A 55 72.973 13.102 -3.541 1.00 1.00 N ATOM 825 CA PRO A 55 73.730 12.282 -4.523 1.00 1.00 C ATOM 826 C PRO A 55 72.841 11.740 -5.650 1.00 1.00 C ATOM 827 O PRO A 55 73.179 11.826 -6.814 1.00 1.00 O ATOM 828 CB PRO A 55 74.265 11.138 -3.663 1.00 1.00 C ATOM 829 CG PRO A 55 73.238 10.944 -2.594 1.00 1.00 C ATOM 830 CD PRO A 55 72.511 12.283 -2.409 1.00 1.00 C ATOM 0 HA PRO A 55 74.502 12.857 -5.034 1.00 1.00 H new ATOM 0 HB2 PRO A 55 74.398 10.230 -4.252 1.00 1.00 H new ATOM 0 HB3 PRO A 55 75.237 11.386 -3.236 1.00 1.00 H new ATOM 0 HG2 PRO A 55 72.534 10.161 -2.875 1.00 1.00 H new ATOM 0 HG3 PRO A 55 73.708 10.630 -1.662 1.00 1.00 H new ATOM 0 HD2 PRO A 55 71.429 12.155 -2.426 1.00 1.00 H new ATOM 0 HD3 PRO A 55 72.763 12.745 -1.454 1.00 1.00 H new ATOM 838 N GLY A 56 71.712 11.177 -5.313 1.00 1.00 N ATOM 839 CA GLY A 56 70.809 10.625 -6.365 1.00 1.00 C ATOM 840 C GLY A 56 69.787 11.686 -6.779 1.00 1.00 C ATOM 841 O GLY A 56 69.388 11.761 -7.924 1.00 1.00 O ATOM 0 H GLY A 56 71.376 11.075 -4.355 1.00 1.00 H new ATOM 0 HA2 GLY A 56 71.393 10.312 -7.231 1.00 1.00 H new ATOM 0 HA3 GLY A 56 70.296 9.740 -5.989 1.00 1.00 H new ATOM 845 N MET A 57 69.358 12.504 -5.857 1.00 1.00 N ATOM 846 CA MET A 57 68.358 13.555 -6.202 1.00 1.00 C ATOM 847 C MET A 57 66.996 12.896 -6.435 1.00 1.00 C ATOM 848 O MET A 57 66.295 13.209 -7.376 1.00 1.00 O ATOM 849 CB MET A 57 68.806 14.289 -7.474 1.00 1.00 C ATOM 850 CG MET A 57 68.374 15.755 -7.398 1.00 1.00 C ATOM 851 SD MET A 57 66.570 15.847 -7.286 1.00 1.00 S ATOM 852 CE MET A 57 66.228 15.769 -9.061 1.00 1.00 C ATOM 0 H MET A 57 69.656 12.490 -4.882 1.00 1.00 H new ATOM 0 HA MET A 57 68.279 14.272 -5.385 1.00 1.00 H new ATOM 0 HB2 MET A 57 69.889 14.223 -7.582 1.00 1.00 H new ATOM 0 HB3 MET A 57 68.369 13.815 -8.353 1.00 1.00 H new ATOM 0 HG2 MET A 57 68.828 16.235 -6.531 1.00 1.00 H new ATOM 0 HG3 MET A 57 68.722 16.294 -8.279 1.00 1.00 H new ATOM 0 HE1 MET A 57 65.157 15.883 -9.231 1.00 1.00 H new ATOM 0 HE2 MET A 57 66.763 16.570 -9.570 1.00 1.00 H new ATOM 0 HE3 MET A 57 66.557 14.807 -9.453 1.00 1.00 H new ATOM 862 N GLU A 58 66.618 11.983 -5.584 1.00 1.00 N ATOM 863 CA GLU A 58 65.305 11.302 -5.758 1.00 1.00 C ATOM 864 C GLU A 58 64.993 10.474 -4.510 1.00 1.00 C ATOM 865 O GLU A 58 63.870 10.428 -4.049 1.00 1.00 O ATOM 866 CB GLU A 58 65.369 10.383 -6.980 1.00 1.00 C ATOM 867 CG GLU A 58 63.962 9.886 -7.320 1.00 1.00 C ATOM 868 CD GLU A 58 64.056 8.737 -8.325 1.00 1.00 C ATOM 869 OE1 GLU A 58 65.155 8.256 -8.545 1.00 1.00 O ATOM 870 OE2 GLU A 58 63.026 8.357 -8.858 1.00 1.00 O ATOM 0 H GLU A 58 67.161 11.679 -4.776 1.00 1.00 H new ATOM 0 HA GLU A 58 64.522 12.047 -5.904 1.00 1.00 H new ATOM 0 HB2 GLU A 58 65.792 10.919 -7.830 1.00 1.00 H new ATOM 0 HB3 GLU A 58 66.026 9.537 -6.778 1.00 1.00 H new ATOM 0 HG2 GLU A 58 63.454 9.551 -6.415 1.00 1.00 H new ATOM 0 HG3 GLU A 58 63.368 10.700 -7.736 1.00 1.00 H new ATOM 877 N GLY A 59 65.978 9.819 -3.960 1.00 1.00 N ATOM 878 CA GLY A 59 65.738 8.995 -2.743 1.00 1.00 C ATOM 879 C GLY A 59 65.000 7.712 -3.129 1.00 1.00 C ATOM 880 O GLY A 59 64.006 7.742 -3.827 1.00 1.00 O ATOM 0 H GLY A 59 66.939 9.819 -4.301 1.00 1.00 H new ATOM 0 HA2 GLY A 59 66.686 8.751 -2.264 1.00 1.00 H new ATOM 0 HA3 GLY A 59 65.151 9.560 -2.019 1.00 1.00 H new ATOM 884 N CYS A 60 65.479 6.585 -2.680 1.00 1.00 N ATOM 885 CA CYS A 60 64.808 5.299 -3.019 1.00 1.00 C ATOM 886 C CYS A 60 63.618 5.088 -2.080 1.00 1.00 C ATOM 887 O CYS A 60 62.688 4.370 -2.390 1.00 1.00 O ATOM 888 CB CYS A 60 65.804 4.146 -2.856 1.00 1.00 C ATOM 889 SG CYS A 60 66.489 3.705 -4.472 1.00 1.00 S ATOM 0 H CYS A 60 66.308 6.499 -2.092 1.00 1.00 H new ATOM 0 HA CYS A 60 64.457 5.328 -4.050 1.00 1.00 H new ATOM 0 HB2 CYS A 60 66.605 4.437 -2.177 1.00 1.00 H new ATOM 0 HB3 CYS A 60 65.308 3.283 -2.412 1.00 1.00 H new ATOM 894 N GLY A 61 63.643 5.709 -0.933 1.00 1.00 N ATOM 895 CA GLY A 61 62.519 5.548 0.032 1.00 1.00 C ATOM 896 C GLY A 61 63.006 5.902 1.438 1.00 1.00 C ATOM 897 O GLY A 61 62.766 5.183 2.387 1.00 1.00 O ATOM 0 H GLY A 61 64.396 6.323 -0.622 1.00 1.00 H new ATOM 0 HA2 GLY A 61 61.687 6.193 -0.250 1.00 1.00 H new ATOM 0 HA3 GLY A 61 62.149 4.523 0.010 1.00 1.00 H new ATOM 901 N THR A 62 63.695 7.004 1.573 1.00 1.00 N ATOM 902 CA THR A 62 64.210 7.416 2.911 1.00 1.00 C ATOM 903 C THR A 62 64.987 6.259 3.549 1.00 1.00 C ATOM 904 O THR A 62 65.472 6.365 4.658 1.00 1.00 O ATOM 905 CB THR A 62 63.038 7.814 3.817 1.00 1.00 C ATOM 906 OG1 THR A 62 61.971 6.893 3.639 1.00 1.00 O ATOM 907 CG2 THR A 62 62.565 9.223 3.454 1.00 1.00 C ATOM 0 H THR A 62 63.924 7.640 0.809 1.00 1.00 H new ATOM 0 HA THR A 62 64.877 8.270 2.789 1.00 1.00 H new ATOM 0 HB THR A 62 63.361 7.800 4.858 1.00 1.00 H new ATOM 0 HG1 THR A 62 62.334 5.991 3.517 1.00 1.00 H new ATOM 0 HG21 THR A 62 61.732 9.505 4.098 1.00 1.00 H new ATOM 0 HG22 THR A 62 63.385 9.928 3.591 1.00 1.00 H new ATOM 0 HG23 THR A 62 62.241 9.241 2.413 1.00 1.00 H new ATOM 915 N ASP A 63 65.113 5.159 2.859 1.00 1.00 N ATOM 916 CA ASP A 63 65.864 4.005 3.427 1.00 1.00 C ATOM 917 C ASP A 63 67.357 4.340 3.461 1.00 1.00 C ATOM 918 O ASP A 63 68.191 3.520 3.137 1.00 1.00 O ATOM 919 CB ASP A 63 65.637 2.768 2.555 1.00 1.00 C ATOM 920 CG ASP A 63 65.777 3.150 1.080 1.00 1.00 C ATOM 921 OD1 ASP A 63 66.886 3.085 0.575 1.00 1.00 O ATOM 922 OD2 ASP A 63 64.774 3.502 0.482 1.00 1.00 O ATOM 0 H ASP A 63 64.728 5.010 1.926 1.00 1.00 H new ATOM 0 HA ASP A 63 65.512 3.803 4.439 1.00 1.00 H new ATOM 0 HB2 ASP A 63 66.359 1.992 2.811 1.00 1.00 H new ATOM 0 HB3 ASP A 63 64.646 2.355 2.742 1.00 1.00 H new ATOM 927 N ILE A 64 67.696 5.541 3.846 1.00 1.00 N ATOM 928 CA ILE A 64 69.134 5.936 3.895 1.00 1.00 C ATOM 929 C ILE A 64 69.244 7.368 4.395 1.00 1.00 C ATOM 930 O ILE A 64 70.182 7.733 5.075 1.00 1.00 O ATOM 931 CB ILE A 64 69.738 5.848 2.493 1.00 1.00 C ATOM 932 CG1 ILE A 64 71.138 6.465 2.503 1.00 1.00 C ATOM 933 CG2 ILE A 64 68.853 6.612 1.506 1.00 1.00 C ATOM 934 CD1 ILE A 64 71.873 6.086 1.216 1.00 1.00 C ATOM 0 H ILE A 64 67.038 6.267 4.129 1.00 1.00 H new ATOM 0 HA ILE A 64 69.671 5.266 4.567 1.00 1.00 H new ATOM 0 HB ILE A 64 69.802 4.803 2.190 1.00 1.00 H new ATOM 0 HG12 ILE A 64 71.068 7.549 2.588 1.00 1.00 H new ATOM 0 HG13 ILE A 64 71.696 6.112 3.370 1.00 1.00 H new ATOM 0 HG21 ILE A 64 69.284 6.549 0.507 1.00 1.00 H new ATOM 0 HG22 ILE A 64 67.855 6.175 1.499 1.00 1.00 H new ATOM 0 HG23 ILE A 64 68.789 7.657 1.808 1.00 1.00 H new ATOM 0 HD11 ILE A 64 72.870 6.526 1.224 1.00 1.00 H new ATOM 0 HD12 ILE A 64 71.955 5.001 1.150 1.00 1.00 H new ATOM 0 HD13 ILE A 64 71.318 6.461 0.356 1.00 1.00 H new ATOM 946 N THR A 65 68.289 8.180 4.061 1.00 1.00 N ATOM 947 CA THR A 65 68.327 9.597 4.515 1.00 1.00 C ATOM 948 C THR A 65 68.671 9.631 6.004 1.00 1.00 C ATOM 949 O THR A 65 69.023 10.659 6.548 1.00 1.00 O ATOM 950 CB THR A 65 66.959 10.245 4.288 1.00 1.00 C ATOM 951 OG1 THR A 65 66.618 10.157 2.912 1.00 1.00 O ATOM 952 CG2 THR A 65 67.011 11.714 4.711 1.00 1.00 C ATOM 0 H THR A 65 67.481 7.927 3.492 1.00 1.00 H new ATOM 0 HA THR A 65 69.080 10.146 3.950 1.00 1.00 H new ATOM 0 HB THR A 65 66.207 9.726 4.883 1.00 1.00 H new ATOM 0 HG1 THR A 65 65.741 10.570 2.765 1.00 1.00 H new ATOM 0 HG21 THR A 65 66.036 12.174 4.549 1.00 1.00 H new ATOM 0 HG22 THR A 65 67.272 11.779 5.767 1.00 1.00 H new ATOM 0 HG23 THR A 65 67.762 12.237 4.119 1.00 1.00 H new ATOM 960 N VAL A 66 68.575 8.509 6.665 1.00 1.00 N ATOM 961 CA VAL A 66 68.899 8.468 8.117 1.00 1.00 C ATOM 962 C VAL A 66 69.359 7.060 8.509 1.00 1.00 C ATOM 963 O VAL A 66 70.371 6.893 9.161 1.00 1.00 O ATOM 964 CB VAL A 66 67.656 8.844 8.933 1.00 1.00 C ATOM 965 CG1 VAL A 66 67.393 10.345 8.802 1.00 1.00 C ATOM 966 CG2 VAL A 66 66.447 8.068 8.405 1.00 1.00 C ATOM 0 H VAL A 66 68.286 7.619 6.260 1.00 1.00 H new ATOM 0 HA VAL A 66 69.699 9.179 8.323 1.00 1.00 H new ATOM 0 HB VAL A 66 67.821 8.594 9.981 1.00 1.00 H new ATOM 0 HG11 VAL A 66 66.510 10.612 9.382 1.00 1.00 H new ATOM 0 HG12 VAL A 66 68.254 10.899 9.176 1.00 1.00 H new ATOM 0 HG13 VAL A 66 67.228 10.595 7.754 1.00 1.00 H new ATOM 0 HG21 VAL A 66 65.563 8.334 8.984 1.00 1.00 H new ATOM 0 HG22 VAL A 66 66.283 8.318 7.357 1.00 1.00 H new ATOM 0 HG23 VAL A 66 66.633 6.998 8.498 1.00 1.00 H new ATOM 976 N ILE A 67 68.626 6.045 8.128 1.00 1.00 N ATOM 977 CA ILE A 67 69.028 4.654 8.493 1.00 1.00 C ATOM 978 C ILE A 67 68.841 3.720 7.296 1.00 1.00 C ATOM 979 O ILE A 67 67.733 3.357 6.954 1.00 1.00 O ATOM 980 CB ILE A 67 68.164 4.164 9.657 1.00 1.00 C ATOM 981 CG1 ILE A 67 68.176 5.209 10.775 1.00 1.00 C ATOM 982 CG2 ILE A 67 68.724 2.844 10.189 1.00 1.00 C ATOM 983 CD1 ILE A 67 67.374 4.689 11.969 1.00 1.00 C ATOM 0 H ILE A 67 67.768 6.119 7.581 1.00 1.00 H new ATOM 0 HA ILE A 67 70.078 4.653 8.785 1.00 1.00 H new ATOM 0 HB ILE A 67 67.142 4.012 9.311 1.00 1.00 H new ATOM 0 HG12 ILE A 67 69.201 5.422 11.077 1.00 1.00 H new ATOM 0 HG13 ILE A 67 67.749 6.145 10.416 1.00 1.00 H new ATOM 0 HG21 ILE A 67 68.108 2.495 11.018 1.00 1.00 H new ATOM 0 HG22 ILE A 67 68.717 2.099 9.393 1.00 1.00 H new ATOM 0 HG23 ILE A 67 69.746 2.996 10.535 1.00 1.00 H new ATOM 0 HD11 ILE A 67 67.383 5.433 12.765 1.00 1.00 H new ATOM 0 HD12 ILE A 67 66.346 4.499 11.661 1.00 1.00 H new ATOM 0 HD13 ILE A 67 67.821 3.764 12.333 1.00 1.00 H new ATOM 995 N CYS A 68 69.909 3.314 6.666 1.00 1.00 N ATOM 996 CA CYS A 68 69.777 2.388 5.504 1.00 1.00 C ATOM 997 C CYS A 68 70.044 0.952 5.967 1.00 1.00 C ATOM 998 O CYS A 68 70.763 0.726 6.920 1.00 1.00 O ATOM 999 CB CYS A 68 70.785 2.775 4.419 1.00 1.00 C ATOM 1000 SG CYS A 68 72.373 3.185 5.184 1.00 1.00 S ATOM 0 H CYS A 68 70.864 3.582 6.904 1.00 1.00 H new ATOM 0 HA CYS A 68 68.768 2.458 5.096 1.00 1.00 H new ATOM 0 HB2 CYS A 68 70.911 1.952 3.715 1.00 1.00 H new ATOM 0 HB3 CYS A 68 70.413 3.627 3.850 1.00 1.00 H new ATOM 1005 N PRO A 69 69.462 -0.013 5.300 1.00 1.00 N ATOM 1006 CA PRO A 69 69.625 -1.450 5.643 1.00 1.00 C ATOM 1007 C PRO A 69 71.007 -1.771 6.225 1.00 1.00 C ATOM 1008 O PRO A 69 71.151 -2.651 7.050 1.00 1.00 O ATOM 1009 CB PRO A 69 69.422 -2.139 4.297 1.00 1.00 C ATOM 1010 CG PRO A 69 68.448 -1.271 3.565 1.00 1.00 C ATOM 1011 CD PRO A 69 68.585 0.150 4.130 1.00 1.00 C ATOM 0 HA PRO A 69 68.930 -1.773 6.418 1.00 1.00 H new ATOM 0 HB2 PRO A 69 70.362 -2.226 3.752 1.00 1.00 H new ATOM 0 HB3 PRO A 69 69.033 -3.149 4.425 1.00 1.00 H new ATOM 0 HG2 PRO A 69 68.655 -1.280 2.495 1.00 1.00 H new ATOM 0 HG3 PRO A 69 67.431 -1.640 3.696 1.00 1.00 H new ATOM 0 HD2 PRO A 69 69.020 0.830 3.398 1.00 1.00 H new ATOM 0 HD3 PRO A 69 67.616 0.562 4.412 1.00 1.00 H new ATOM 1019 N TRP A 70 72.021 -1.064 5.810 1.00 1.00 N ATOM 1020 CA TRP A 70 73.382 -1.336 6.352 1.00 1.00 C ATOM 1021 C TRP A 70 73.380 -1.085 7.862 1.00 1.00 C ATOM 1022 O TRP A 70 73.680 -1.961 8.648 1.00 1.00 O ATOM 1023 CB TRP A 70 74.397 -0.407 5.676 1.00 1.00 C ATOM 1024 CG TRP A 70 75.658 -0.374 6.479 1.00 1.00 C ATOM 1025 CD1 TRP A 70 76.136 -1.401 7.217 1.00 1.00 C ATOM 1026 CD2 TRP A 70 76.608 0.721 6.636 1.00 1.00 C ATOM 1027 NE1 TRP A 70 77.317 -1.009 7.818 1.00 1.00 N ATOM 1028 CE2 TRP A 70 77.651 0.290 7.492 1.00 1.00 C ATOM 1029 CE3 TRP A 70 76.666 2.029 6.127 1.00 1.00 C ATOM 1030 CZ2 TRP A 70 78.715 1.132 7.829 1.00 1.00 C ATOM 1031 CZ3 TRP A 70 77.732 2.877 6.463 1.00 1.00 C ATOM 1032 CH2 TRP A 70 78.754 2.431 7.312 1.00 1.00 C ATOM 0 H TRP A 70 71.967 -0.313 5.122 1.00 1.00 H new ATOM 0 HA TRP A 70 73.657 -2.372 6.154 1.00 1.00 H new ATOM 0 HB2 TRP A 70 74.607 -0.755 4.665 1.00 1.00 H new ATOM 0 HB3 TRP A 70 73.983 0.598 5.588 1.00 1.00 H new ATOM 0 HD1 TRP A 70 75.671 -2.370 7.320 1.00 1.00 H new ATOM 0 HE1 TRP A 70 77.874 -1.607 8.428 1.00 1.00 H new ATOM 0 HE3 TRP A 70 75.884 2.384 5.472 1.00 1.00 H new ATOM 0 HZ2 TRP A 70 79.500 0.782 8.483 1.00 1.00 H new ATOM 0 HZ3 TRP A 70 77.765 3.880 6.065 1.00 1.00 H new ATOM 0 HH2 TRP A 70 79.571 3.090 7.567 1.00 1.00 H new ATOM 1043 N GLU A 71 73.043 0.106 8.270 1.00 1.00 N ATOM 1044 CA GLU A 71 73.021 0.418 9.726 1.00 1.00 C ATOM 1045 C GLU A 71 72.208 -0.650 10.463 1.00 1.00 C ATOM 1046 O GLU A 71 72.511 -1.012 11.583 1.00 1.00 O ATOM 1047 CB GLU A 71 72.376 1.791 9.938 1.00 1.00 C ATOM 1048 CG GLU A 71 73.390 2.888 9.610 1.00 1.00 C ATOM 1049 CD GLU A 71 72.744 4.260 9.813 1.00 1.00 C ATOM 1050 OE1 GLU A 71 72.378 4.560 10.938 1.00 1.00 O ATOM 1051 OE2 GLU A 71 72.625 4.986 8.840 1.00 1.00 O ATOM 0 H GLU A 71 72.781 0.878 7.657 1.00 1.00 H new ATOM 0 HA GLU A 71 74.039 0.429 10.115 1.00 1.00 H new ATOM 0 HB2 GLU A 71 71.496 1.893 9.303 1.00 1.00 H new ATOM 0 HB3 GLU A 71 72.038 1.890 10.969 1.00 1.00 H new ATOM 0 HG2 GLU A 71 74.267 2.790 10.249 1.00 1.00 H new ATOM 0 HG3 GLU A 71 73.733 2.785 8.580 1.00 1.00 H new ATOM 1058 N ALA A 72 71.174 -1.154 9.846 1.00 1.00 N ATOM 1059 CA ALA A 72 70.339 -2.193 10.513 1.00 1.00 C ATOM 1060 C ALA A 72 71.047 -3.550 10.455 1.00 1.00 C ATOM 1061 O ALA A 72 71.118 -4.265 11.435 1.00 1.00 O ATOM 1062 CB ALA A 72 68.989 -2.293 9.800 1.00 1.00 C ATOM 0 H ALA A 72 70.871 -0.891 8.908 1.00 1.00 H new ATOM 0 HA ALA A 72 70.185 -1.914 11.556 1.00 1.00 H new ATOM 0 HB1 ALA A 72 68.376 -3.052 10.286 1.00 1.00 H new ATOM 0 HB2 ALA A 72 68.480 -1.330 9.848 1.00 1.00 H new ATOM 0 HB3 ALA A 72 69.148 -2.568 8.757 1.00 1.00 H new ATOM 1068 N CYS A 73 71.565 -3.915 9.314 1.00 1.00 N ATOM 1069 CA CYS A 73 72.259 -5.229 9.195 1.00 1.00 C ATOM 1070 C CYS A 73 73.288 -5.371 10.319 1.00 1.00 C ATOM 1071 O CYS A 73 73.316 -6.360 11.024 1.00 1.00 O ATOM 1072 CB CYS A 73 72.965 -5.313 7.839 1.00 1.00 C ATOM 1073 SG CYS A 73 71.799 -5.906 6.588 1.00 1.00 S ATOM 0 H CYS A 73 71.538 -3.360 8.459 1.00 1.00 H new ATOM 0 HA CYS A 73 71.527 -6.033 9.273 1.00 1.00 H new ATOM 0 HB2 CYS A 73 73.351 -4.334 7.557 1.00 1.00 H new ATOM 0 HB3 CYS A 73 73.820 -5.986 7.903 1.00 1.00 H new ATOM 1078 N ASN A 74 74.138 -4.395 10.488 1.00 1.00 N ATOM 1079 CA ASN A 74 75.170 -4.475 11.563 1.00 1.00 C ATOM 1080 C ASN A 74 76.200 -5.551 11.205 1.00 1.00 C ATOM 1081 O ASN A 74 77.322 -5.527 11.669 1.00 1.00 O ATOM 1082 CB ASN A 74 74.502 -4.825 12.898 1.00 1.00 C ATOM 1083 CG ASN A 74 75.377 -4.330 14.051 1.00 1.00 C ATOM 1084 OD1 ASN A 74 75.059 -3.347 14.692 1.00 1.00 O ATOM 1085 ND2 ASN A 74 76.474 -4.972 14.344 1.00 1.00 N ATOM 0 H ASN A 74 74.163 -3.543 9.927 1.00 1.00 H new ATOM 0 HA ASN A 74 75.670 -3.511 11.655 1.00 1.00 H new ATOM 0 HB2 ASN A 74 73.515 -4.367 12.954 1.00 1.00 H new ATOM 0 HB3 ASN A 74 74.358 -5.903 12.973 1.00 1.00 H new ATOM 0 HD21 ASN A 74 77.065 -4.649 15.111 1.00 1.00 H new ATOM 0 HD22 ASN A 74 76.741 -5.797 13.807 1.00 1.00 H new ATOM 1092 N HIS A 75 75.828 -6.492 10.380 1.00 1.00 N ATOM 1093 CA HIS A 75 76.788 -7.564 9.991 1.00 1.00 C ATOM 1094 C HIS A 75 77.897 -6.953 9.129 1.00 1.00 C ATOM 1095 O HIS A 75 78.707 -7.650 8.553 1.00 1.00 O ATOM 1096 CB HIS A 75 76.044 -8.646 9.194 1.00 1.00 C ATOM 1097 CG HIS A 75 76.706 -9.979 9.415 1.00 1.00 C ATOM 1098 ND1 HIS A 75 76.658 -10.634 10.636 1.00 1.00 N ATOM 1099 CD2 HIS A 75 77.434 -10.791 8.579 1.00 1.00 C ATOM 1100 CE1 HIS A 75 77.338 -11.787 10.505 1.00 1.00 C ATOM 1101 NE2 HIS A 75 77.830 -11.930 9.273 1.00 1.00 N ATOM 0 H HIS A 75 74.902 -6.565 9.959 1.00 1.00 H new ATOM 0 HA HIS A 75 77.227 -8.013 10.882 1.00 1.00 H new ATOM 0 HB2 HIS A 75 75.001 -8.690 9.507 1.00 1.00 H new ATOM 0 HB3 HIS A 75 76.048 -8.398 8.133 1.00 1.00 H new ATOM 0 HD2 HIS A 75 77.663 -10.578 7.545 1.00 1.00 H new ATOM 0 HE1 HIS A 75 77.469 -12.508 11.299 1.00 1.00 H new ATOM 0 HE2 HIS A 75 78.381 -12.710 8.915 1.00 1.00 H new ATOM 1110 N CYS A 76 77.935 -5.651 9.040 1.00 1.00 N ATOM 1111 CA CYS A 76 78.986 -4.987 8.218 1.00 1.00 C ATOM 1112 C CYS A 76 80.338 -5.102 8.926 1.00 1.00 C ATOM 1113 O CYS A 76 81.233 -5.784 8.467 1.00 1.00 O ATOM 1114 CB CYS A 76 78.627 -3.511 8.033 1.00 1.00 C ATOM 1115 SG CYS A 76 80.044 -2.624 7.339 1.00 1.00 S ATOM 0 H CYS A 76 77.282 -5.018 9.502 1.00 1.00 H new ATOM 0 HA CYS A 76 79.048 -5.471 7.243 1.00 1.00 H new ATOM 0 HB2 CYS A 76 77.766 -3.416 7.371 1.00 1.00 H new ATOM 0 HB3 CYS A 76 78.344 -3.072 8.990 1.00 1.00 H new ATOM 1120 N GLU A 77 80.494 -4.441 10.042 1.00 1.00 N ATOM 1121 CA GLU A 77 81.790 -4.514 10.778 1.00 1.00 C ATOM 1122 C GLU A 77 82.036 -5.952 11.237 1.00 1.00 C ATOM 1123 O GLU A 77 81.700 -6.330 12.343 1.00 1.00 O ATOM 1124 CB GLU A 77 81.740 -3.585 11.994 1.00 1.00 C ATOM 1125 CG GLU A 77 81.946 -2.139 11.540 1.00 1.00 C ATOM 1126 CD GLU A 77 80.875 -1.768 10.513 1.00 1.00 C ATOM 1127 OE1 GLU A 77 79.741 -2.179 10.694 1.00 1.00 O ATOM 1128 OE2 GLU A 77 81.206 -1.079 9.562 1.00 1.00 O ATOM 0 H GLU A 77 79.781 -3.854 10.475 1.00 1.00 H new ATOM 0 HA GLU A 77 82.601 -4.202 10.120 1.00 1.00 H new ATOM 0 HB2 GLU A 77 80.781 -3.685 12.502 1.00 1.00 H new ATOM 0 HB3 GLU A 77 82.511 -3.866 12.711 1.00 1.00 H new ATOM 0 HG2 GLU A 77 81.892 -1.467 12.396 1.00 1.00 H new ATOM 0 HG3 GLU A 77 82.938 -2.021 11.105 1.00 1.00 H new ATOM 1135 N LEU A 78 82.622 -6.756 10.394 1.00 1.00 N ATOM 1136 CA LEU A 78 82.895 -8.172 10.770 1.00 1.00 C ATOM 1137 C LEU A 78 83.761 -8.820 9.688 1.00 1.00 C ATOM 1138 O LEU A 78 84.691 -9.548 9.972 1.00 1.00 O ATOM 1139 CB LEU A 78 81.570 -8.932 10.886 1.00 1.00 C ATOM 1140 CG LEU A 78 81.810 -10.287 11.555 1.00 1.00 C ATOM 1141 CD1 LEU A 78 81.801 -10.115 13.075 1.00 1.00 C ATOM 1142 CD2 LEU A 78 80.702 -11.259 11.146 1.00 1.00 C ATOM 0 H LEU A 78 82.925 -6.492 9.456 1.00 1.00 H new ATOM 0 HA LEU A 78 83.417 -8.205 11.726 1.00 1.00 H new ATOM 0 HB2 LEU A 78 80.855 -8.350 11.468 1.00 1.00 H new ATOM 0 HB3 LEU A 78 81.134 -9.076 9.897 1.00 1.00 H new ATOM 0 HG LEU A 78 82.776 -10.682 11.240 1.00 1.00 H new ATOM 0 HD11 LEU A 78 81.972 -11.080 13.551 1.00 1.00 H new ATOM 0 HD12 LEU A 78 82.589 -9.421 13.367 1.00 1.00 H new ATOM 0 HD13 LEU A 78 80.835 -9.721 13.391 1.00 1.00 H new ATOM 0 HD21 LEU A 78 80.871 -12.225 11.622 1.00 1.00 H new ATOM 0 HD22 LEU A 78 79.736 -10.864 11.461 1.00 1.00 H new ATOM 0 HD23 LEU A 78 80.707 -11.382 10.063 1.00 1.00 H new ATOM 1154 N HIS A 79 83.458 -8.555 8.448 1.00 1.00 N ATOM 1155 CA HIS A 79 84.254 -9.142 7.335 1.00 1.00 C ATOM 1156 C HIS A 79 83.864 -8.439 6.035 1.00 1.00 C ATOM 1157 O HIS A 79 84.470 -8.633 4.999 1.00 1.00 O ATOM 1158 CB HIS A 79 83.964 -10.648 7.232 1.00 1.00 C ATOM 1159 CG HIS A 79 82.804 -10.875 6.302 1.00 1.00 C ATOM 1160 ND1 HIS A 79 82.976 -11.336 5.005 1.00 1.00 N ATOM 1161 CD2 HIS A 79 81.450 -10.711 6.466 1.00 1.00 C ATOM 1162 CE1 HIS A 79 81.758 -11.432 4.443 1.00 1.00 C ATOM 1163 NE2 HIS A 79 80.795 -11.063 5.290 1.00 1.00 N ATOM 0 H HIS A 79 82.688 -7.953 8.156 1.00 1.00 H new ATOM 0 HA HIS A 79 85.319 -9.005 7.520 1.00 1.00 H new ATOM 0 HB2 HIS A 79 84.845 -11.174 6.866 1.00 1.00 H new ATOM 0 HB3 HIS A 79 83.738 -11.053 8.218 1.00 1.00 H new ATOM 0 HD2 HIS A 79 80.969 -10.363 7.368 1.00 1.00 H new ATOM 0 HE1 HIS A 79 81.581 -11.766 3.431 1.00 1.00 H new ATOM 0 HE2 HIS A 79 79.791 -11.043 5.113 1.00 1.00 H new ATOM 1172 N GLU A 80 82.850 -7.621 6.091 1.00 1.00 N ATOM 1173 CA GLU A 80 82.401 -6.895 4.873 1.00 1.00 C ATOM 1174 C GLU A 80 83.207 -5.606 4.729 1.00 1.00 C ATOM 1175 O GLU A 80 83.342 -5.064 3.650 1.00 1.00 O ATOM 1176 CB GLU A 80 80.917 -6.560 5.010 1.00 1.00 C ATOM 1177 CG GLU A 80 80.104 -7.855 5.060 1.00 1.00 C ATOM 1178 CD GLU A 80 78.617 -7.531 4.905 1.00 1.00 C ATOM 1179 OE1 GLU A 80 78.260 -6.379 5.088 1.00 1.00 O ATOM 1180 OE2 GLU A 80 77.860 -8.440 4.607 1.00 1.00 O ATOM 0 H GLU A 80 82.311 -7.424 6.934 1.00 1.00 H new ATOM 0 HA GLU A 80 82.555 -7.518 3.992 1.00 1.00 H new ATOM 0 HB2 GLU A 80 80.747 -5.976 5.915 1.00 1.00 H new ATOM 0 HB3 GLU A 80 80.593 -5.947 4.169 1.00 1.00 H new ATOM 0 HG2 GLU A 80 80.425 -8.529 4.266 1.00 1.00 H new ATOM 0 HG3 GLU A 80 80.278 -8.370 6.005 1.00 1.00 H new ATOM 1187 N LEU A 81 83.751 -5.114 5.805 1.00 1.00 N ATOM 1188 CA LEU A 81 84.553 -3.865 5.721 1.00 1.00 C ATOM 1189 C LEU A 81 85.660 -4.050 4.681 1.00 1.00 C ATOM 1190 O LEU A 81 86.390 -3.131 4.369 1.00 1.00 O ATOM 1191 CB LEU A 81 85.184 -3.565 7.084 1.00 1.00 C ATOM 1192 CG LEU A 81 85.801 -4.841 7.659 1.00 1.00 C ATOM 1193 CD1 LEU A 81 87.132 -4.507 8.334 1.00 1.00 C ATOM 1194 CD2 LEU A 81 84.846 -5.448 8.689 1.00 1.00 C ATOM 0 H LEU A 81 83.675 -5.522 6.737 1.00 1.00 H new ATOM 0 HA LEU A 81 83.907 -3.036 5.432 1.00 1.00 H new ATOM 0 HB2 LEU A 81 85.948 -2.795 6.980 1.00 1.00 H new ATOM 0 HB3 LEU A 81 84.429 -3.175 7.767 1.00 1.00 H new ATOM 0 HG LEU A 81 85.972 -5.556 6.854 1.00 1.00 H new ATOM 0 HD11 LEU A 81 87.571 -5.417 8.743 1.00 1.00 H new ATOM 0 HD12 LEU A 81 87.813 -4.074 7.601 1.00 1.00 H new ATOM 0 HD13 LEU A 81 86.962 -3.792 9.139 1.00 1.00 H new ATOM 0 HD21 LEU A 81 85.284 -6.358 9.100 1.00 1.00 H new ATOM 0 HD22 LEU A 81 84.675 -4.732 9.493 1.00 1.00 H new ATOM 0 HD23 LEU A 81 83.897 -5.687 8.209 1.00 1.00 H new ATOM 1206 N ALA A 82 85.789 -5.233 4.141 1.00 1.00 N ATOM 1207 CA ALA A 82 86.848 -5.474 3.122 1.00 1.00 C ATOM 1208 C ALA A 82 86.800 -4.361 2.076 1.00 1.00 C ATOM 1209 O ALA A 82 85.754 -3.807 1.798 1.00 1.00 O ATOM 1210 CB ALA A 82 86.611 -6.825 2.443 1.00 1.00 C ATOM 0 H ALA A 82 85.207 -6.041 4.362 1.00 1.00 H new ATOM 0 HA ALA A 82 87.825 -5.482 3.605 1.00 1.00 H new ATOM 0 HB1 ALA A 82 87.387 -6.999 1.698 1.00 1.00 H new ATOM 0 HB2 ALA A 82 86.641 -7.618 3.190 1.00 1.00 H new ATOM 0 HB3 ALA A 82 85.636 -6.822 1.957 1.00 1.00 H new ATOM 1216 N GLN A 83 87.921 -4.027 1.497 1.00 1.00 N ATOM 1217 CA GLN A 83 87.935 -2.946 0.471 1.00 1.00 C ATOM 1218 C GLN A 83 86.736 -3.122 -0.464 1.00 1.00 C ATOM 1219 O GLN A 83 85.905 -2.247 -0.598 1.00 1.00 O ATOM 1220 CB GLN A 83 89.235 -3.017 -0.340 1.00 1.00 C ATOM 1221 CG GLN A 83 90.387 -3.436 0.575 1.00 1.00 C ATOM 1222 CD GLN A 83 90.411 -4.961 0.701 1.00 1.00 C ATOM 1223 OE1 GLN A 83 90.371 -5.492 1.793 1.00 1.00 O ATOM 1224 NE2 GLN A 83 90.476 -5.691 -0.378 1.00 1.00 N ATOM 0 H GLN A 83 88.826 -4.455 1.690 1.00 1.00 H new ATOM 0 HA GLN A 83 87.875 -1.976 0.965 1.00 1.00 H new ATOM 0 HB2 GLN A 83 89.128 -3.731 -1.157 1.00 1.00 H new ATOM 0 HB3 GLN A 83 89.448 -2.047 -0.790 1.00 1.00 H new ATOM 0 HG2 GLN A 83 91.334 -3.079 0.171 1.00 1.00 H new ATOM 0 HG3 GLN A 83 90.268 -2.981 1.558 1.00 1.00 H new ATOM 0 HE21 GLN A 83 90.510 -5.245 -1.295 1.00 1.00 H new ATOM 0 HE22 GLN A 83 90.493 -6.708 -0.305 1.00 1.00 H new ATOM 1233 N TYR A 84 86.641 -4.255 -1.104 1.00 1.00 N ATOM 1234 CA TYR A 84 85.500 -4.505 -2.028 1.00 1.00 C ATOM 1235 C TYR A 84 85.336 -6.017 -2.217 1.00 1.00 C ATOM 1236 O TYR A 84 84.747 -6.476 -3.177 1.00 1.00 O ATOM 1237 CB TYR A 84 85.787 -3.853 -3.383 1.00 1.00 C ATOM 1238 CG TYR A 84 86.326 -2.459 -3.169 1.00 1.00 C ATOM 1239 CD1 TYR A 84 85.444 -1.393 -2.953 1.00 1.00 C ATOM 1240 CD2 TYR A 84 87.707 -2.232 -3.188 1.00 1.00 C ATOM 1241 CE1 TYR A 84 85.944 -0.100 -2.755 1.00 1.00 C ATOM 1242 CE2 TYR A 84 88.207 -0.939 -2.990 1.00 1.00 C ATOM 1243 CZ TYR A 84 87.325 0.127 -2.773 1.00 1.00 C ATOM 1244 OH TYR A 84 87.818 1.401 -2.578 1.00 1.00 O ATOM 0 H TYR A 84 87.309 -5.022 -1.026 1.00 1.00 H new ATOM 0 HA TYR A 84 84.587 -4.081 -1.610 1.00 1.00 H new ATOM 0 HB2 TYR A 84 86.508 -4.451 -3.941 1.00 1.00 H new ATOM 0 HB3 TYR A 84 84.876 -3.814 -3.980 1.00 1.00 H new ATOM 0 HD1 TYR A 84 84.378 -1.568 -2.939 1.00 1.00 H new ATOM 0 HD2 TYR A 84 88.387 -3.054 -3.355 1.00 1.00 H new ATOM 0 HE1 TYR A 84 85.264 0.722 -2.588 1.00 1.00 H new ATOM 0 HE2 TYR A 84 89.273 -0.764 -3.005 1.00 1.00 H new ATOM 0 HH TYR A 84 88.181 1.744 -3.421 1.00 1.00 H new ATOM 1254 N GLY A 85 85.862 -6.794 -1.309 1.00 1.00 N ATOM 1255 CA GLY A 85 85.749 -8.274 -1.430 1.00 1.00 C ATOM 1256 C GLY A 85 84.281 -8.670 -1.585 1.00 1.00 C ATOM 1257 O GLY A 85 83.909 -9.357 -2.516 1.00 1.00 O ATOM 0 H GLY A 85 86.367 -6.465 -0.486 1.00 1.00 H new ATOM 0 HA2 GLY A 85 86.322 -8.623 -2.289 1.00 1.00 H new ATOM 0 HA3 GLY A 85 86.173 -8.754 -0.548 1.00 1.00 H new ATOM 1261 N ILE A 86 83.442 -8.248 -0.680 1.00 1.00 N ATOM 1262 CA ILE A 86 81.998 -8.610 -0.782 1.00 1.00 C ATOM 1263 C ILE A 86 81.270 -7.615 -1.693 1.00 1.00 C ATOM 1264 O ILE A 86 80.409 -6.875 -1.268 1.00 1.00 O ATOM 1265 CB ILE A 86 81.355 -8.649 0.618 1.00 1.00 C ATOM 1266 CG1 ILE A 86 81.236 -7.224 1.163 1.00 1.00 C ATOM 1267 CG2 ILE A 86 82.228 -9.481 1.559 1.00 1.00 C ATOM 1268 CD1 ILE A 86 82.560 -6.486 0.956 1.00 1.00 C ATOM 0 H ILE A 86 83.691 -7.670 0.123 1.00 1.00 H new ATOM 0 HA ILE A 86 81.911 -9.604 -1.221 1.00 1.00 H new ATOM 0 HB ILE A 86 80.364 -9.098 0.550 1.00 1.00 H new ATOM 0 HG12 ILE A 86 80.429 -6.695 0.655 1.00 1.00 H new ATOM 0 HG13 ILE A 86 80.983 -7.249 2.223 1.00 1.00 H new ATOM 0 HG21 ILE A 86 81.773 -9.508 2.549 1.00 1.00 H new ATOM 0 HG22 ILE A 86 82.315 -10.496 1.172 1.00 1.00 H new ATOM 0 HG23 ILE A 86 83.219 -9.032 1.628 1.00 1.00 H new ATOM 0 HD11 ILE A 86 82.475 -5.471 1.344 1.00 1.00 H new ATOM 0 HD12 ILE A 86 83.356 -7.011 1.484 1.00 1.00 H new ATOM 0 HD13 ILE A 86 82.794 -6.449 -0.108 1.00 1.00 H new ATOM 1280 N CYS A 87 81.605 -7.604 -2.958 1.00 1.00 N ATOM 1281 CA CYS A 87 80.927 -6.670 -3.900 1.00 1.00 C ATOM 1282 C CYS A 87 79.562 -7.244 -4.288 1.00 1.00 C ATOM 1283 CB CYS A 87 81.786 -6.495 -5.157 1.00 1.00 C ATOM 1284 SG CYS A 87 82.873 -5.062 -4.953 1.00 1.00 S ATOM 0 H CYS A 87 82.318 -8.201 -3.377 1.00 1.00 H new ATOM 0 HA CYS A 87 80.792 -5.702 -3.418 1.00 1.00 H new ATOM 0 HB2 CYS A 87 82.379 -7.392 -5.332 1.00 1.00 H new ATOM 0 HB3 CYS A 87 81.148 -6.359 -6.030 1.00 1.00 H new TER 1289 CYS A 87 HETATM 1290 C1C RCY A 110 62.286 -8.127 -2.785 1.00 1.00 C HETATM 1291 O1G RCY A 110 59.126 -9.755 1.444 1.00 1.00 O HETATM 1292 O1H RCY A 110 63.014 -10.251 -1.191 1.00 1.00 O HETATM 1293 O1J RCY A 110 61.463 -5.234 -2.946 1.00 1.00 O HETATM 1294 C1L RCY A 110 60.912 -11.427 1.392 1.00 1.00 C HETATM 1295 C1M RCY A 110 59.907 -7.260 -0.086 1.00 1.00 C HETATM 1296 C1P RCY A 110 60.160 -10.174 0.925 1.00 1.00 C HETATM 1297 C1Q RCY A 110 61.987 -10.487 -0.555 1.00 1.00 C HETATM 1298 N1R RCY A 110 60.854 -9.511 -0.263 1.00 1.00 N HETATM 1299 C1S RCY A 110 61.615 -11.812 0.086 1.00 1.00 C HETATM 1300 C1U RCY A 110 60.510 -8.205 -0.982 1.00 1.00 C HETATM 1301 C1V RCY A 110 62.826 -7.337 -0.437 1.00 1.00 C HETATM 1302 N1V RCY A 110 61.140 -6.115 -1.828 1.00 1.00 N HETATM 1303 C1W RCY A 110 60.119 -5.878 -0.717 1.00 1.00 C HETATM 1304 C1X RCY A 110 61.744 -7.476 -1.510 1.00 1.00 C HETATM 1305 C1Y RCY A 110 60.672 -4.893 0.317 1.00 1.00 C HETATM 1306 C1Z RCY A 110 58.825 -5.344 -1.332 1.00 1.00 C HETATM 0 H1ZB RCY A 110 58.480 -6.029 -2.106 1.00 1.00 H new HETATM 0 H1ZA RCY A 110 58.063 -5.258 -0.558 1.00 1.00 H new HETATM 0 H1YB RCY A 110 59.968 -4.799 1.143 1.00 1.00 H new HETATM 0 H1YA RCY A 110 61.627 -5.259 0.694 1.00 1.00 H new HETATM 0 H1MA RCY A 110 58.845 -7.470 0.045 1.00 1.00 H new HETATM 0 H1LA RCY A 110 61.615 -11.216 2.198 1.00 1.00 H new HETATM 0 H1CB RCY A 110 62.562 -9.161 -2.577 1.00 1.00 H new HETATM 0 H1CA RCY A 110 61.519 -8.106 -3.559 1.00 1.00 H new HETATM 0 H1Y RCY A 110 60.816 -3.918 -0.149 1.00 1.00 H new HETATM 0 H1V RCY A 110 62.400 -6.871 0.451 1.00 1.00 H new HETATM 0 H1S RCY A 110 60.959 -12.394 -0.561 1.00 1.00 H new HETATM 0 H1M RCY A 110 60.366 -7.312 0.901 1.00 1.00 H new HETATM 0 H1L RCY A 110 60.241 -12.207 1.751 1.00 1.00 H new HETATM 0 H1C RCY A 110 63.163 -7.579 -3.129 1.00 1.00 H new HETATM 1309 C1C RCY A 121 65.399 -6.538 -6.425 1.00 1.00 C HETATM 1310 O1G RCY A 121 62.933 -5.893 -9.593 1.00 1.00 O HETATM 1311 O1H RCY A 121 64.490 -2.544 -6.650 1.00 1.00 O HETATM 1312 O1J RCY A 121 64.535 -8.452 -8.584 1.00 1.00 O HETATM 1313 C1L RCY A 121 61.811 -4.141 -8.305 1.00 1.00 C HETATM 1314 C1M RCY A 121 66.006 -5.122 -9.790 1.00 1.00 C HETATM 1315 C1P RCY A 121 63.010 -4.969 -8.785 1.00 1.00 C HETATM 1316 C1Q RCY A 121 63.818 -3.438 -7.163 1.00 1.00 C HETATM 1317 N1R RCY A 121 64.311 -4.502 -8.135 1.00 1.00 N HETATM 1318 C1S RCY A 121 62.337 -3.684 -6.940 1.00 1.00 C HETATM 1319 C1U RCY A 121 65.745 -4.974 -8.387 1.00 1.00 C HETATM 1320 C1V RCY A 121 67.515 -6.691 -7.813 1.00 1.00 C HETATM 1321 N1V RCY A 121 65.291 -7.227 -8.831 1.00 1.00 N HETATM 1322 C1W RCY A 121 65.525 -6.528 -10.169 1.00 1.00 C HETATM 1323 C1X RCY A 121 66.021 -6.363 -7.812 1.00 1.00 C HETATM 1324 C1Y RCY A 121 66.597 -7.265 -10.977 1.00 1.00 C HETATM 1325 C1Z RCY A 121 64.208 -6.475 -10.943 1.00 1.00 C HETATM 0 H1ZB RCY A 121 63.443 -6.001 -10.328 1.00 1.00 H new HETATM 0 H1ZA RCY A 121 64.346 -5.898 -11.857 1.00 1.00 H new HETATM 0 H1YB RCY A 121 66.812 -6.708 -11.889 1.00 1.00 H new HETATM 0 H1YA RCY A 121 67.506 -7.352 -10.382 1.00 1.00 H new HETATM 0 H1VB RCY A 121 68.034 -6.028 -7.121 1.00 1.00 H new HETATM 0 H1VA RCY A 121 67.661 -7.726 -7.502 1.00 1.00 H new HETATM 0 H1MA RCY A 121 65.479 -4.362 -10.366 1.00 1.00 H new HETATM 0 H1LA RCY A 121 61.589 -3.305 -8.968 1.00 1.00 H new HETATM 0 H1CB RCY A 121 65.816 -5.797 -5.743 1.00 1.00 H new HETATM 0 H1CA RCY A 121 64.319 -6.404 -6.491 1.00 1.00 H new HETATM 0 H1Z RCY A 121 63.894 -7.488 -11.197 1.00 1.00 H new HETATM 0 H1Y RCY A 121 66.237 -8.261 -11.236 1.00 1.00 H new HETATM 0 H1V RCY A 121 67.917 -6.554 -8.817 1.00 1.00 H new HETATM 0 H1U RCY A 121 66.366 -4.213 -7.914 1.00 1.00 H new HETATM 0 H1S RCY A 121 62.172 -4.444 -6.177 1.00 1.00 H new HETATM 0 H1M RCY A 121 67.068 -5.004 -10.003 1.00 1.00 H new HETATM 0 H1L RCY A 121 60.900 -4.734 -8.224 1.00 1.00 H new HETATM 0 H1C RCY A 121 65.618 -7.538 -6.052 1.00 1.00 H new HETATM 1328 C1C RCY A 130 78.253 6.807 -8.146 1.00 1.00 C HETATM 1329 O1G RCY A 130 79.736 10.620 -11.689 1.00 1.00 O HETATM 1330 O1H RCY A 130 77.908 6.302 -11.134 1.00 1.00 O HETATM 1331 O1J RCY A 130 76.477 8.287 -6.216 1.00 1.00 O HETATM 1332 C1L RCY A 130 79.644 8.643 -13.127 1.00 1.00 C HETATM 1333 C1M RCY A 130 77.321 10.135 -9.469 1.00 1.00 C HETATM 1334 C1P RCY A 130 79.408 9.445 -11.841 1.00 1.00 C HETATM 1335 C1Q RCY A 130 78.654 7.232 -11.436 1.00 1.00 C HETATM 1336 N1R RCY A 130 78.717 8.601 -10.771 1.00 1.00 N HETATM 1337 C1S RCY A 130 79.687 7.225 -12.548 1.00 1.00 C HETATM 1338 C1U RCY A 130 78.213 9.014 -9.387 1.00 1.00 C HETATM 1339 C1V RCY A 130 76.290 7.386 -9.641 1.00 1.00 C HETATM 1340 N1V RCY A 130 76.752 8.731 -7.580 1.00 1.00 N HETATM 1341 C1W RCY A 130 76.477 10.105 -8.188 1.00 1.00 C HETATM 1342 C1X RCY A 130 77.378 7.927 -8.712 1.00 1.00 C HETATM 1343 C1Y RCY A 130 74.990 10.256 -8.520 1.00 1.00 C HETATM 1344 C1Z RCY A 130 76.923 11.186 -7.204 1.00 1.00 C HETATM 0 H1ZB RCY A 130 77.967 11.025 -6.935 1.00 1.00 H new HETATM 0 H1ZA RCY A 130 76.815 12.167 -7.667 1.00 1.00 H new HETATM 0 H1YB RCY A 130 74.825 11.206 -9.029 1.00 1.00 H new HETATM 0 H1YA RCY A 130 74.677 9.438 -9.168 1.00 1.00 H new HETATM 0 H1VB RCY A 130 76.753 6.860 -10.476 1.00 1.00 H new HETATM 0 H1VA RCY A 130 75.649 6.698 -9.089 1.00 1.00 H new HETATM 0 H1MA RCY A 130 77.876 11.070 -9.547 1.00 1.00 H new HETATM 0 H1LA RCY A 130 78.842 8.773 -13.853 1.00 1.00 H new HETATM 0 H1CB RCY A 130 78.824 6.348 -8.953 1.00 1.00 H new HETATM 0 H1CA RCY A 130 78.939 7.220 -7.406 1.00 1.00 H new HETATM 0 H1Z RCY A 130 76.306 11.139 -6.307 1.00 1.00 H new HETATM 0 H1Y RCY A 130 74.407 10.232 -7.599 1.00 1.00 H new HETATM 0 H1V RCY A 130 75.691 8.214 -10.021 1.00 1.00 H new HETATM 0 H1U RCY A 130 79.121 9.231 -8.824 1.00 1.00 H new HETATM 0 H1S RCY A 130 80.679 6.983 -12.166 1.00 1.00 H new HETATM 0 H1M RCY A 130 76.688 10.065 -10.354 1.00 1.00 H new HETATM 0 H1L RCY A 130 80.573 8.918 -13.626 1.00 1.00 H new HETATM 0 H1C RCY A 130 77.621 6.054 -7.675 1.00 1.00 H new HETATM 1347 C1C RCY A 138 80.670 2.623 -1.753 1.00 1.00 C HETATM 1348 O1G RCY A 138 82.640 2.139 -4.219 1.00 1.00 O HETATM 1349 O1H RCY A 138 85.201 5.454 -2.039 1.00 1.00 O HETATM 1350 O1J RCY A 138 80.399 2.618 1.247 1.00 1.00 O HETATM 1351 C1L RCY A 138 84.169 3.872 -5.022 1.00 1.00 C HETATM 1352 C1M RCY A 138 83.802 3.733 -0.124 1.00 1.00 C HETATM 1353 C1P RCY A 138 83.373 3.094 -3.967 1.00 1.00 C HETATM 1354 C1Q RCY A 138 84.480 4.867 -2.844 1.00 1.00 C HETATM 1355 N1R RCY A 138 83.604 3.653 -2.564 1.00 1.00 N HETATM 1356 C1S RCY A 138 84.301 5.222 -4.309 1.00 1.00 C HETATM 1357 C1U RCY A 138 83.092 3.135 -1.218 1.00 1.00 C HETATM 1358 C1V RCY A 138 81.373 4.995 -1.199 1.00 1.00 C HETATM 1359 N1V RCY A 138 81.535 3.189 0.529 1.00 1.00 N HETATM 1360 C1W RCY A 138 82.890 3.600 1.101 1.00 1.00 C HETATM 1361 C1X RCY A 138 81.633 3.507 -0.957 1.00 1.00 C HETATM 1362 C1Y RCY A 138 82.777 4.939 1.836 1.00 1.00 C HETATM 1363 C1Z RCY A 138 83.386 2.507 2.048 1.00 1.00 C HETATM 0 H1ZB RCY A 138 83.403 1.552 1.524 1.00 1.00 H new HETATM 0 H1ZA RCY A 138 84.392 2.751 2.390 1.00 1.00 H new HETATM 0 H1YB RCY A 138 83.766 5.258 2.165 1.00 1.00 H new HETATM 0 H1YA RCY A 138 82.359 5.689 1.164 1.00 1.00 H new HETATM 0 H1VB RCY A 138 81.500 5.219 -2.258 1.00 1.00 H new HETATM 0 H1VA RCY A 138 80.355 5.240 -0.896 1.00 1.00 H new HETATM 0 H1MA RCY A 138 84.754 3.230 0.043 1.00 1.00 H new HETATM 0 H1LA RCY A 138 85.136 3.416 -5.235 1.00 1.00 H new HETATM 0 H1CB RCY A 138 80.867 2.738 -2.819 1.00 1.00 H new HETATM 0 H1CA RCY A 138 80.813 1.581 -1.468 1.00 1.00 H new HETATM 0 H1Z RCY A 138 82.718 2.438 2.906 1.00 1.00 H new HETATM 0 H1Y RCY A 138 82.126 4.825 2.702 1.00 1.00 H new HETATM 0 H1V RCY A 138 82.078 5.587 -0.615 1.00 1.00 H new HETATM 0 H1U RCY A 138 83.228 2.055 -1.276 1.00 1.00 H new HETATM 0 H1S RCY A 138 83.416 5.839 -4.462 1.00 1.00 H new HETATM 0 H1M RCY A 138 84.026 4.779 -0.331 1.00 1.00 H new HETATM 0 H1L RCY A 138 83.638 3.951 -5.971 1.00 1.00 H new HETATM 0 H1C RCY A 138 79.643 2.920 -1.540 1.00 1.00 H new HETATM 1366 C1C RCY A 150 78.057 6.764 1.380 1.00 1.00 C HETATM 1367 O1G RCY A 150 77.652 11.180 4.844 1.00 1.00 O HETATM 1368 O1H RCY A 150 78.239 11.346 2.788 1.00 1.00 O HETATM 1369 O1J RCY A 150 78.669 4.076 2.591 1.00 1.00 O HETATM 1370 C1L RCY A 150 78.651 9.772 3.061 1.00 1.00 C HETATM 1371 C1M RCY A 150 78.703 7.050 5.012 1.00 1.00 C HETATM 1372 C1P RCY A 150 78.410 10.316 4.454 1.00 1.00 C HETATM 1373 C1Q RCY A 150 78.708 10.394 3.377 1.00 1.00 C HETATM 1374 N1R RCY A 150 78.118 9.003 3.674 1.00 1.00 N HETATM 1375 C1S RCY A 150 78.138 9.569 4.510 1.00 1.00 C HETATM 1376 C1U RCY A 150 78.690 7.597 3.686 1.00 1.00 C HETATM 1377 C1V RCY A 150 76.365 6.686 3.266 1.00 1.00 C HETATM 1378 N1V RCY A 150 78.442 5.291 3.368 1.00 1.00 N HETATM 1379 C1W RCY A 150 78.751 5.526 4.845 1.00 1.00 C HETATM 1380 C1X RCY A 150 77.845 6.606 2.887 1.00 1.00 C HETATM 1381 C1Y RCY A 150 77.695 4.854 5.727 1.00 1.00 C HETATM 1382 C1Z RCY A 150 80.143 4.977 5.159 1.00 1.00 C HETATM 0 H1ZB RCY A 150 80.871 5.423 4.482 1.00 1.00 H new HETATM 0 H1ZA RCY A 150 80.407 5.221 6.188 1.00 1.00 H new HETATM 0 H1YB RCY A 150 77.883 5.101 6.772 1.00 1.00 H new HETATM 0 H1YA RCY A 150 76.704 5.209 5.443 1.00 1.00 H new HETATM 0 H1VB RCY A 150 75.964 7.654 2.965 1.00 1.00 H new HETATM 0 H1VA RCY A 150 75.816 5.892 2.759 1.00 1.00 H new HETATM 0 H1MA RCY A 150 79.567 7.408 5.572 1.00 1.00 H new HETATM 0 H1CB RCY A 150 77.778 7.773 1.077 1.00 1.00 H new HETATM 0 H1CA RCY A 150 79.106 6.590 1.140 1.00 1.00 H new HETATM 0 H1Z RCY A 150 80.144 3.894 5.032 1.00 1.00 H new HETATM 0 H1Y RCY A 150 77.745 3.773 5.595 1.00 1.00 H new HETATM 0 H1V RCY A 150 76.259 6.569 4.344 1.00 1.00 H new HETATM 0 H1U RCY A 150 79.687 7.709 3.260 1.00 1.00 H new HETATM 0 H1S RCY A 150 78.714 9.138 5.329 1.00 1.00 H new HETATM 0 H1M RCY A 150 77.815 7.353 5.567 1.00 1.00 H new HETATM 0 H1L RCY A 150 79.612 9.424 2.682 1.00 1.00 H new HETATM 0 H1C RCY A 150 77.438 6.041 0.848 1.00 1.00 H new HETATM 1385 C1C RCY A 160 72.894 4.725 -2.541 1.00 1.00 C HETATM 1386 O1G RCY A 160 70.473 6.940 -4.204 1.00 1.00 O HETATM 1387 O1H RCY A 160 67.996 3.662 -1.876 1.00 1.00 O HETATM 1388 O1J RCY A 160 73.805 4.372 0.308 1.00 1.00 O HETATM 1389 C1L RCY A 160 68.431 5.698 -4.728 1.00 1.00 C HETATM 1390 C1M RCY A 160 70.071 5.096 -0.178 1.00 1.00 C HETATM 1391 C1P RCY A 160 69.653 6.080 -3.884 1.00 1.00 C HETATM 1392 C1Q RCY A 160 68.560 4.295 -2.767 1.00 1.00 C HETATM 1393 N1R RCY A 160 69.727 5.261 -2.597 1.00 1.00 N HETATM 1394 C1S RCY A 160 68.219 4.259 -4.245 1.00 1.00 C HETATM 1395 C1U RCY A 160 70.712 5.372 -1.432 1.00 1.00 C HETATM 1396 C1V RCY A 160 71.296 2.927 -1.740 1.00 1.00 C HETATM 1397 N1V RCY A 160 72.406 4.459 -0.099 1.00 1.00 N HETATM 1398 C1W RCY A 160 71.187 4.690 0.793 1.00 1.00 C HETATM 1399 C1X RCY A 160 71.836 4.339 -1.505 1.00 1.00 C HETATM 1400 C1Y RCY A 160 70.814 3.403 1.534 1.00 1.00 C HETATM 1401 C1Z RCY A 160 71.497 5.812 1.783 1.00 1.00 C HETATM 0 H1YB RCY A 160 69.895 3.561 2.099 1.00 1.00 H new HETATM 0 H1YA RCY A 160 70.663 2.599 0.814 1.00 1.00 H new HETATM 0 H1VB RCY A 160 70.841 2.871 -2.729 1.00 1.00 H new HETATM 0 H1MA RCY A 160 69.537 5.973 0.188 1.00 1.00 H new HETATM 0 H1LA RCY A 160 67.570 6.336 -4.529 1.00 1.00 H new HETATM 0 H1CB RCY A 160 72.431 4.797 -3.525 1.00 1.00 H new HETATM 0 H1CA RCY A 160 73.330 5.688 -2.274 1.00 1.00 H new HETATM 0 H1U RCY A 160 71.096 6.390 -1.502 1.00 1.00 H new HETATM 0 H1S RCY A 160 68.862 3.562 -4.783 1.00 1.00 H new HETATM 0 H1M RCY A 160 69.337 4.297 -0.284 1.00 1.00 H new HETATM 0 H1L RCY A 160 68.629 5.754 -5.798 1.00 1.00 H new HETATM 0 H1C RCY A 160 73.676 3.966 -2.563 1.00 1.00 H new HETATM 1404 C1C RCY A 168 71.178 2.227 -0.317 1.00 1.00 C HETATM 1405 O1G RCY A 168 76.235 2.853 1.811 1.00 1.00 O HETATM 1406 O1H RCY A 168 71.556 2.542 2.368 1.00 1.00 O HETATM 1407 O1J RCY A 168 71.939 1.073 -2.992 1.00 1.00 O HETATM 1408 C1L RCY A 168 74.771 2.957 3.769 1.00 1.00 C HETATM 1409 C1M RCY A 168 74.848 1.874 -0.625 1.00 1.00 C HETATM 1410 C1P RCY A 168 75.096 2.846 2.274 1.00 1.00 C HETATM 1411 C1Q RCY A 168 72.732 2.886 2.477 1.00 1.00 C HETATM 1412 N1R RCY A 168 73.827 2.727 1.430 1.00 1.00 N HETATM 1413 C1S RCY A 168 73.361 3.552 3.688 1.00 1.00 C HETATM 1414 C1U RCY A 168 73.683 2.506 -0.077 1.00 1.00 C HETATM 1415 C1V RCY A 168 72.611 0.260 0.394 1.00 1.00 C HETATM 1416 N1V RCY A 168 72.874 1.262 -1.887 1.00 1.00 N HETATM 1417 C1W RCY A 168 74.400 1.214 -1.936 1.00 1.00 C HETATM 1418 C1X RCY A 168 72.545 1.549 -0.428 1.00 1.00 C HETATM 1419 C1Y RCY A 168 74.889 -0.235 -2.004 1.00 1.00 C HETATM 1420 C1Z RCY A 168 74.886 2.005 -3.150 1.00 1.00 C HETATM 0 H1ZB RCY A 168 74.478 3.015 -3.113 1.00 1.00 H new HETATM 0 H1ZA RCY A 168 75.975 2.053 -3.141 1.00 1.00 H new HETATM 0 H1YB RCY A 168 75.978 -0.254 -1.953 1.00 1.00 H new HETATM 0 H1YA RCY A 168 74.477 -0.798 -1.167 1.00 1.00 H new HETATM 0 H1VB RCY A 168 72.428 0.488 1.444 1.00 1.00 H new HETATM 0 H1VA RCY A 168 71.854 -0.438 0.037 1.00 1.00 H new HETATM 0 H1MA RCY A 168 75.638 2.603 -0.806 1.00 1.00 H new HETATM 0 H1LA RCY A 168 74.788 1.990 4.273 1.00 1.00 H new HETATM 0 H1CB RCY A 168 71.027 2.577 0.704 1.00 1.00 H new HETATM 0 H1Z RCY A 168 74.552 1.512 -4.063 1.00 1.00 H new HETATM 0 H1Y RCY A 168 74.561 -0.686 -2.941 1.00 1.00 H new HETATM 0 H1V RCY A 168 73.598 -0.189 0.287 1.00 1.00 H new HETATM 0 H1U RCY A 168 73.508 3.503 -0.480 1.00 1.00 H new HETATM 0 H1S RCY A 168 73.394 4.635 3.572 1.00 1.00 H new HETATM 0 H1M RCY A 168 75.251 1.133 0.066 1.00 1.00 H new HETATM 0 H1L RCY A 168 75.468 3.605 4.300 1.00 1.00 H new HETATM 0 H1C RCY A 168 70.396 1.513 -0.575 1.00 1.00 H new HETATM 1423 C1C RCY A 173 75.520 -2.649 1.513 1.00 1.00 C HETATM 1424 O1G RCY A 173 72.983 -2.948 2.557 1.00 1.00 O HETATM 1425 O1H RCY A 173 74.668 -5.035 6.443 1.00 1.00 O HETATM 1426 O1J RCY A 173 78.529 -2.748 1.473 1.00 1.00 O HETATM 1427 C1L RCY A 173 71.933 -4.223 4.363 1.00 1.00 C HETATM 1428 C1M RCY A 173 76.853 -4.080 4.654 1.00 1.00 C HETATM 1429 C1P RCY A 173 73.105 -3.597 3.594 1.00 1.00 C HETATM 1430 C1Q RCY A 173 74.026 -4.798 5.421 1.00 1.00 C HETATM 1431 N1R RCY A 173 74.441 -3.882 4.278 1.00 1.00 N HETATM 1432 C1S RCY A 173 72.665 -5.370 5.067 1.00 1.00 C HETATM 1433 C1U RCY A 173 75.841 -3.381 3.916 1.00 1.00 C HETATM 1434 C1V RCY A 173 75.931 -5.092 2.051 1.00 1.00 C HETATM 1435 N1V RCY A 173 77.703 -3.380 2.498 1.00 1.00 N HETATM 1436 C1W RCY A 173 78.151 -3.925 3.853 1.00 1.00 C HETATM 1437 C1X RCY A 173 76.204 -3.641 2.455 1.00 1.00 C HETATM 1438 C1Y RCY A 173 78.844 -5.280 3.682 1.00 1.00 C HETATM 1439 C1Z RCY A 173 79.093 -2.917 4.512 1.00 1.00 C HETATM 0 H1MA RCY A 173 76.962 -3.664 5.656 1.00 1.00 H new HETATM 0 H1LA RCY A 173 71.475 -3.527 5.065 1.00 1.00 H new HETATM 0 H1CB RCY A 173 74.438 -2.735 1.617 1.00 1.00 H new HETATM 0 H1S RCY A 173 72.758 -6.239 4.416 1.00 1.00 H new HETATM 0 H1M RCY A 173 76.592 -5.132 4.772 1.00 1.00 H new HETATM 0 H1L RCY A 173 71.141 -4.576 3.702 1.00 1.00 H new HETATM 1442 C1C RCY A 176 76.297 -5.087 3.066 1.00 1.00 C HETATM 1443 O1G RCY A 176 79.328 -6.155 3.675 1.00 1.00 O HETATM 1444 O1H RCY A 176 78.554 -1.665 4.916 1.00 1.00 O HETATM 1445 O1J RCY A 176 75.016 -2.519 3.978 1.00 1.00 O HETATM 1446 C1L RCY A 176 79.763 -4.884 5.720 1.00 1.00 C HETATM 1447 C1M RCY A 176 78.232 -2.148 1.921 1.00 1.00 C HETATM 1448 C1P RCY A 176 79.295 -5.080 4.273 1.00 1.00 C HETATM 1449 C1Q RCY A 176 79.070 -2.772 4.775 1.00 1.00 C HETATM 1450 N1R RCY A 176 78.781 -3.776 3.666 1.00 1.00 N HETATM 1451 C1S RCY A 176 80.119 -3.393 5.680 1.00 1.00 C HETATM 1452 C1U RCY A 176 78.139 -3.529 2.299 1.00 1.00 C HETATM 1453 C1V RCY A 176 76.077 -3.848 0.865 1.00 1.00 C HETATM 1454 N1V RCY A 176 76.124 -2.589 3.030 1.00 1.00 N HETATM 1455 C1W RCY A 176 77.026 -1.448 2.561 1.00 1.00 C HETATM 1456 C1X RCY A 176 76.639 -3.815 2.288 1.00 1.00 C HETATM 1457 C1Y RCY A 176 76.299 -0.579 1.532 1.00 1.00 C HETATM 1458 C1Z RCY A 176 77.447 -0.613 3.771 1.00 1.00 C HETATM 0 H1ZB RCY A 176 77.908 -1.260 4.517 1.00 1.00 H new HETATM 0 H1ZA RCY A 176 78.163 0.147 3.457 1.00 1.00 H new HETATM 0 H1YB RCY A 176 76.983 0.178 1.147 1.00 1.00 H new HETATM 0 H1YA RCY A 176 75.949 -1.204 0.710 1.00 1.00 H new HETATM 0 H1VB RCY A 176 76.496 -4.699 0.328 1.00 1.00 H new HETATM 0 H1LA RCY A 176 78.981 -5.107 6.446 1.00 1.00 H new HETATM 0 H1CA RCY A 176 76.616 -4.977 4.102 1.00 1.00 H new HETATM 0 H1Z RCY A 176 76.570 -0.130 4.202 1.00 1.00 H new HETATM 0 H1Y RCY A 176 75.447 -0.091 2.005 1.00 1.00 H new HETATM 0 H1S RCY A 176 81.124 -3.236 5.288 1.00 1.00 H new HETATM 0 H1L RCY A 176 80.619 -5.511 5.971 1.00 1.00 H new HETATM 1461 C1C RCY A 187 82.716 -0.209 0.064 1.00 1.00 C HETATM 1462 O1G RCY A 187 83.373 -3.171 -0.201 1.00 1.00 O HETATM 1463 O1H RCY A 187 81.142 -2.688 -4.335 1.00 1.00 O HETATM 1464 O1J RCY A 187 80.274 1.025 1.321 1.00 1.00 O HETATM 1465 C1L RCY A 187 83.587 -4.299 -2.362 1.00 1.00 C HETATM 1466 C1M RCY A 187 79.617 -1.758 -1.233 1.00 1.00 C HETATM 1467 C1P RCY A 187 82.979 -3.312 -1.358 1.00 1.00 C HETATM 1468 C1Q RCY A 187 81.694 -3.170 -3.348 1.00 1.00 C HETATM 1469 N1R RCY A 187 81.821 -2.527 -1.972 1.00 1.00 N HETATM 1470 C1S RCY A 187 82.377 -4.524 -3.275 1.00 1.00 C HETATM 1471 C1U RCY A 187 80.996 -1.387 -1.371 1.00 1.00 C HETATM 1472 C1V RCY A 187 81.529 -2.270 0.941 1.00 1.00 C HETATM 1473 N1V RCY A 187 80.247 -0.168 0.481 1.00 1.00 N HETATM 1474 C1W RCY A 187 79.030 -0.830 -0.163 1.00 1.00 C HETATM 1475 C1X RCY A 187 81.426 -1.030 0.051 1.00 1.00 C HETATM 1476 C1Y RCY A 187 78.246 -1.636 0.877 1.00 1.00 C HETATM 1477 C1Z RCY A 187 78.145 0.249 -0.787 1.00 1.00 C HETATM 0 H1ZB RCY A 187 78.736 0.849 -1.479 1.00 1.00 H new HETATM 0 H1ZA RCY A 187 77.323 -0.222 -1.326 1.00 1.00 H new HETATM 0 H1VB RCY A 187 82.341 -2.905 0.587 1.00 1.00 H new HETATM 0 H1VA RCY A 187 81.728 -1.965 1.968 1.00 1.00 H new HETATM 0 H1MA RCY A 187 79.087 -1.646 -2.179 1.00 1.00 H new HETATM 0 H1LA RCY A 187 84.440 -3.879 -2.895 1.00 1.00 H new HETATM 0 H1CB RCY A 187 83.517 -0.783 -0.402 1.00 1.00 H new HETATM 0 H1CA RCY A 187 82.563 0.717 -0.490 1.00 1.00 H new HETATM 0 H1Z RCY A 187 77.744 0.890 -0.002 1.00 1.00 H new HETATM 0 H1V RCY A 187 80.591 -2.824 0.903 1.00 1.00 H new HETATM 0 H1U RCY A 187 81.148 -0.554 -2.057 1.00 1.00 H new HETATM 0 H1S RCY A 187 81.709 -5.283 -2.868 1.00 1.00 H new HETATM 0 H1M RCY A 187 79.523 -2.803 -0.937 1.00 1.00 H new HETATM 0 H1L RCY A 187 83.929 -5.219 -1.888 1.00 1.00 H new HETATM 0 H1C RCY A 187 82.988 0.025 1.093 1.00 1.00 H new