USER MOD reduce.3.24.130724 H: found=0, std=0, add=833, rem=0, adj=21 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 130 RCY H1S : A 130 RCY C1S : A 30 CYS SG :(H bumps) USER MOD NoAdj-H: A 150 RCYH1SA : A 150 RCY C1S : A 50 CYS SG :(H bumps) USER MOD NoAdj-H: A 173 RCYH1SA : A 173 RCY C1S : A 73 CYS SG :(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 H1S : A 187 RCY C1S : A 87 CYS SG :(H bumps) USER MOD Set 1.1: A 62 THR OG1 : rot 71:sc= 1 USER MOD Set 1.2: A 65 THR OG1 : rot 180:sc= -0.485 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 161:sc= -0.0118 (180deg=-0.534) USER MOD Single : A 2 ASN : amide:sc= -2.59! C(o=-2.6!,f=-4.6!) USER MOD Single : A 7 LYS NZ :NH3+ 145:sc= -0.293 (180deg=-1.37!) USER MOD Single : A 10 CYS SG : rot -41:sc= -23! USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.00405 USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 CYS SG : rot 180:sc= -19.5! USER MOD Single : A 22 THR OG1 : rot 177:sc= 0.0783 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 155:sc= -0.109 (180deg=-1.22) USER MOD Single : A 31 LYS NZ :NH3+ -174:sc= -5.79! (180deg=-5.97!) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 GLN : amide:sc= -0.159 X(o=-0.16,f=-0.16) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.0165 USER MOD Single : A 37 GLN : amide:sc= -3.68! C(o=-3.7!,f=-9.5!) USER MOD Single : A 38 CYS SG : rot 72:sc= -18.6! USER MOD Single : A 39 LYS NZ :NH3+ -131:sc= -1.87 (180deg=-3.07!) USER MOD Single : A 40 SER OG : rot -41:sc= 0.705 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ -166:sc=-0.00649 (180deg=-0.263) USER MOD Single : A 45 LYS NZ :NH3+ -138:sc= -2.09! (180deg=-4.73!) USER MOD Single : A 48 GLN : amide:sc= -0.283 K(o=-0.28,f=-3.1!) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 CYS SG : rot 117:sc= -12.2! USER MOD Single : A 68 CYS SG : rot 150:sc= -9.65! USER MOD Single : A 74 ASN : amide:sc= -0.728 X(o=-0.73,f=-1.1) USER MOD Single : A 75 HIS : no HD1:sc= -0.0386 X(o=-0.039,f=-0.19) USER MOD Single : A 76 CYS SG : rot -67:sc= -12.7! USER MOD Single : A 79 HIS : no HD1:sc= -1.38 K(o=-1.4,f=-2.6) USER MOD Single : A 83 GLN : amide:sc= -0.0494 X(o=-0.049,f=0) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 55.468 12.945 -15.509 1.00 1.00 N ATOM 2 CA MET A 1 55.057 13.361 -14.138 1.00 1.00 C ATOM 3 C MET A 1 53.945 12.439 -13.637 1.00 1.00 C ATOM 4 O MET A 1 52.890 12.886 -13.231 1.00 1.00 O ATOM 5 CB MET A 1 54.547 14.804 -14.176 1.00 1.00 C ATOM 6 CG MET A 1 53.535 14.959 -15.311 1.00 1.00 C ATOM 7 SD MET A 1 52.629 16.513 -15.104 1.00 1.00 S ATOM 8 CE MET A 1 51.040 15.941 -15.754 1.00 1.00 C ATOM 0 H1 MET A 1 55.970 13.729 -15.974 1.00 1.00 H new ATOM 0 H2 MET A 1 56.097 12.119 -15.447 1.00 1.00 H new ATOM 0 H3 MET A 1 54.624 12.697 -16.064 1.00 1.00 H new ATOM 0 HA MET A 1 55.912 13.295 -13.466 1.00 1.00 H new ATOM 0 HB2 MET A 1 54.083 15.062 -13.224 1.00 1.00 H new ATOM 0 HB3 MET A 1 55.380 15.491 -14.321 1.00 1.00 H new ATOM 0 HG2 MET A 1 54.047 14.950 -16.273 1.00 1.00 H new ATOM 0 HG3 MET A 1 52.841 14.118 -15.311 1.00 1.00 H new ATOM 0 HE1 MET A 1 50.318 16.757 -15.719 1.00 1.00 H new ATOM 0 HE2 MET A 1 51.166 15.612 -16.785 1.00 1.00 H new ATOM 0 HE3 MET A 1 50.678 15.109 -15.150 1.00 1.00 H new ATOM 17 N ASN A 2 54.171 11.153 -13.662 1.00 1.00 N ATOM 18 CA ASN A 2 53.127 10.201 -13.188 1.00 1.00 C ATOM 19 C ASN A 2 53.797 8.919 -12.691 1.00 1.00 C ATOM 20 O ASN A 2 53.576 7.847 -13.218 1.00 1.00 O ATOM 21 CB ASN A 2 52.180 9.865 -14.342 1.00 1.00 C ATOM 22 CG ASN A 2 51.336 11.094 -14.686 1.00 1.00 C ATOM 23 OD1 ASN A 2 50.857 11.782 -13.806 1.00 1.00 O ATOM 24 ND2 ASN A 2 51.133 11.401 -15.938 1.00 1.00 N ATOM 0 H ASN A 2 55.035 10.721 -13.991 1.00 1.00 H new ATOM 0 HA ASN A 2 52.562 10.657 -12.375 1.00 1.00 H new ATOM 0 HB2 ASN A 2 52.751 9.548 -15.214 1.00 1.00 H new ATOM 0 HB3 ASN A 2 51.533 9.033 -14.065 1.00 1.00 H new ATOM 0 HD21 ASN A 2 50.572 12.218 -16.178 1.00 1.00 H new ATOM 0 HD22 ASN A 2 51.535 10.823 -16.676 1.00 1.00 H new ATOM 31 N LEU A 3 54.617 9.019 -11.680 1.00 1.00 N ATOM 32 CA LEU A 3 55.300 7.804 -11.153 1.00 1.00 C ATOM 33 C LEU A 3 54.346 7.034 -10.236 1.00 1.00 C ATOM 34 O LEU A 3 53.602 7.614 -9.470 1.00 1.00 O ATOM 35 CB LEU A 3 56.563 8.213 -10.378 1.00 1.00 C ATOM 36 CG LEU A 3 56.191 8.857 -9.034 1.00 1.00 C ATOM 37 CD1 LEU A 3 57.472 9.232 -8.285 1.00 1.00 C ATOM 38 CD2 LEU A 3 55.359 10.120 -9.275 1.00 1.00 C ATOM 0 H LEU A 3 54.843 9.889 -11.197 1.00 1.00 H new ATOM 0 HA LEU A 3 55.589 7.162 -11.985 1.00 1.00 H new ATOM 0 HB2 LEU A 3 57.190 7.338 -10.206 1.00 1.00 H new ATOM 0 HB3 LEU A 3 57.150 8.913 -10.973 1.00 1.00 H new ATOM 0 HG LEU A 3 55.608 8.150 -8.444 1.00 1.00 H new ATOM 0 HD11 LEU A 3 57.214 9.690 -7.330 1.00 1.00 H new ATOM 0 HD12 LEU A 3 58.066 8.335 -8.109 1.00 1.00 H new ATOM 0 HD13 LEU A 3 58.049 9.938 -8.882 1.00 1.00 H new ATOM 0 HD21 LEU A 3 55.098 10.572 -8.318 1.00 1.00 H new ATOM 0 HD22 LEU A 3 55.938 10.830 -9.866 1.00 1.00 H new ATOM 0 HD23 LEU A 3 54.448 9.858 -9.813 1.00 1.00 H new ATOM 50 N GLU A 4 54.364 5.729 -10.313 1.00 1.00 N ATOM 51 CA GLU A 4 53.463 4.908 -9.451 1.00 1.00 C ATOM 52 C GLU A 4 54.292 3.828 -8.746 1.00 1.00 C ATOM 53 O GLU A 4 55.322 3.413 -9.240 1.00 1.00 O ATOM 54 CB GLU A 4 52.394 4.244 -10.327 1.00 1.00 C ATOM 55 CG GLU A 4 51.256 5.234 -10.587 1.00 1.00 C ATOM 56 CD GLU A 4 50.178 4.561 -11.438 1.00 1.00 C ATOM 57 OE1 GLU A 4 50.325 3.384 -11.723 1.00 1.00 O ATOM 58 OE2 GLU A 4 49.223 5.234 -11.791 1.00 1.00 O ATOM 0 H GLU A 4 54.967 5.194 -10.939 1.00 1.00 H new ATOM 0 HA GLU A 4 52.980 5.542 -8.707 1.00 1.00 H new ATOM 0 HB2 GLU A 4 52.832 3.922 -11.272 1.00 1.00 H new ATOM 0 HB3 GLU A 4 52.008 3.352 -9.834 1.00 1.00 H new ATOM 0 HG2 GLU A 4 50.830 5.571 -9.642 1.00 1.00 H new ATOM 0 HG3 GLU A 4 51.638 6.118 -11.098 1.00 1.00 H new ATOM 65 N PRO A 5 53.851 3.374 -7.600 1.00 1.00 N ATOM 66 CA PRO A 5 54.569 2.327 -6.825 1.00 1.00 C ATOM 67 C PRO A 5 55.184 1.253 -7.736 1.00 1.00 C ATOM 68 O PRO A 5 54.601 0.878 -8.734 1.00 1.00 O ATOM 69 CB PRO A 5 53.467 1.729 -5.950 1.00 1.00 C ATOM 70 CG PRO A 5 52.502 2.850 -5.715 1.00 1.00 C ATOM 71 CD PRO A 5 52.621 3.805 -6.913 1.00 1.00 C ATOM 0 HA PRO A 5 55.409 2.731 -6.259 1.00 1.00 H new ATOM 0 HB2 PRO A 5 52.982 0.889 -6.447 1.00 1.00 H new ATOM 0 HB3 PRO A 5 53.871 1.353 -5.010 1.00 1.00 H new ATOM 0 HG2 PRO A 5 51.484 2.470 -5.625 1.00 1.00 H new ATOM 0 HG3 PRO A 5 52.733 3.368 -4.784 1.00 1.00 H new ATOM 0 HD2 PRO A 5 51.753 3.732 -7.568 1.00 1.00 H new ATOM 0 HD3 PRO A 5 52.689 4.843 -6.589 1.00 1.00 H new ATOM 79 N PRO A 6 56.351 0.761 -7.399 1.00 1.00 N ATOM 80 CA PRO A 6 57.043 -0.286 -8.208 1.00 1.00 C ATOM 81 C PRO A 6 56.397 -1.666 -8.044 1.00 1.00 C ATOM 82 O PRO A 6 56.050 -2.073 -6.953 1.00 1.00 O ATOM 83 CB PRO A 6 58.467 -0.290 -7.647 1.00 1.00 C ATOM 84 CG PRO A 6 58.326 0.174 -6.235 1.00 1.00 C ATOM 85 CD PRO A 6 57.142 1.143 -6.215 1.00 1.00 C ATOM 0 HA PRO A 6 56.995 -0.074 -9.276 1.00 1.00 H new ATOM 0 HB2 PRO A 6 58.907 -1.286 -7.693 1.00 1.00 H new ATOM 0 HB3 PRO A 6 59.118 0.373 -8.217 1.00 1.00 H new ATOM 0 HG2 PRO A 6 58.150 -0.668 -5.565 1.00 1.00 H new ATOM 0 HG3 PRO A 6 59.237 0.667 -5.895 1.00 1.00 H new ATOM 0 HD2 PRO A 6 56.561 1.045 -5.298 1.00 1.00 H new ATOM 0 HD3 PRO A 6 57.473 2.180 -6.273 1.00 1.00 H new ATOM 93 N LYS A 7 56.236 -2.389 -9.118 1.00 1.00 N ATOM 94 CA LYS A 7 55.618 -3.741 -9.020 1.00 1.00 C ATOM 95 C LYS A 7 56.495 -4.634 -8.141 1.00 1.00 C ATOM 96 O LYS A 7 57.670 -4.381 -7.961 1.00 1.00 O ATOM 97 CB LYS A 7 55.505 -4.352 -10.418 1.00 1.00 C ATOM 98 CG LYS A 7 56.875 -4.317 -11.102 1.00 1.00 C ATOM 99 CD LYS A 7 56.767 -4.909 -12.513 1.00 1.00 C ATOM 100 CE LYS A 7 56.331 -3.822 -13.500 1.00 1.00 C ATOM 101 NZ LYS A 7 57.323 -2.710 -13.486 1.00 1.00 N ATOM 0 H LYS A 7 56.506 -2.102 -10.059 1.00 1.00 H new ATOM 0 HA LYS A 7 54.624 -3.659 -8.580 1.00 1.00 H new ATOM 0 HB2 LYS A 7 55.147 -5.379 -10.350 1.00 1.00 H new ATOM 0 HB3 LYS A 7 54.776 -3.799 -11.011 1.00 1.00 H new ATOM 0 HG2 LYS A 7 57.239 -3.291 -11.155 1.00 1.00 H new ATOM 0 HG3 LYS A 7 57.599 -4.882 -10.515 1.00 1.00 H new ATOM 0 HD2 LYS A 7 57.727 -5.325 -12.817 1.00 1.00 H new ATOM 0 HD3 LYS A 7 56.048 -5.728 -12.519 1.00 1.00 H new ATOM 0 HE2 LYS A 7 56.250 -4.239 -14.504 1.00 1.00 H new ATOM 0 HE3 LYS A 7 55.344 -3.446 -13.231 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 57.413 -2.313 -14.443 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 57.003 -1.968 -12.832 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 58.246 -3.072 -13.173 1.00 1.00 H new ATOM 115 N ALA A 8 55.937 -5.677 -7.590 1.00 1.00 N ATOM 116 CA ALA A 8 56.746 -6.580 -6.723 1.00 1.00 C ATOM 117 C ALA A 8 56.042 -7.933 -6.593 1.00 1.00 C ATOM 118 O ALA A 8 54.991 -8.042 -5.993 1.00 1.00 O ATOM 119 CB ALA A 8 56.901 -5.950 -5.338 1.00 1.00 C ATOM 0 H ALA A 8 54.959 -5.943 -7.702 1.00 1.00 H new ATOM 0 HA ALA A 8 57.730 -6.726 -7.169 1.00 1.00 H new ATOM 0 HB1 ALA A 8 57.492 -6.609 -4.703 1.00 1.00 H new ATOM 0 HB2 ALA A 8 57.404 -4.988 -5.430 1.00 1.00 H new ATOM 0 HB3 ALA A 8 55.917 -5.804 -4.893 1.00 1.00 H new ATOM 125 N GLU A 9 56.617 -8.967 -7.147 1.00 1.00 N ATOM 126 CA GLU A 9 55.983 -10.313 -7.051 1.00 1.00 C ATOM 127 C GLU A 9 56.370 -10.959 -5.719 1.00 1.00 C ATOM 128 O GLU A 9 55.630 -11.742 -5.159 1.00 1.00 O ATOM 129 CB GLU A 9 56.471 -11.192 -8.205 1.00 1.00 C ATOM 130 CG GLU A 9 55.944 -10.635 -9.529 1.00 1.00 C ATOM 131 CD GLU A 9 56.583 -11.393 -10.694 1.00 1.00 C ATOM 132 OE1 GLU A 9 57.695 -11.049 -11.061 1.00 1.00 O ATOM 133 OE2 GLU A 9 55.950 -12.305 -11.200 1.00 1.00 O ATOM 0 H GLU A 9 57.497 -8.937 -7.661 1.00 1.00 H new ATOM 0 HA GLU A 9 54.899 -10.211 -7.108 1.00 1.00 H new ATOM 0 HB2 GLU A 9 57.561 -11.221 -8.218 1.00 1.00 H new ATOM 0 HB3 GLU A 9 56.126 -12.217 -8.066 1.00 1.00 H new ATOM 0 HG2 GLU A 9 54.859 -10.732 -9.570 1.00 1.00 H new ATOM 0 HG3 GLU A 9 56.172 -9.572 -9.605 1.00 1.00 H new ATOM 140 N CYS A 10 57.525 -10.632 -5.208 1.00 1.00 N ATOM 141 CA CYS A 10 57.960 -11.223 -3.912 1.00 1.00 C ATOM 142 C CYS A 10 59.143 -10.421 -3.363 1.00 1.00 C ATOM 143 O CYS A 10 60.280 -10.636 -3.737 1.00 1.00 O ATOM 144 CB CYS A 10 58.378 -12.682 -4.130 1.00 1.00 C ATOM 145 SG CYS A 10 57.435 -13.755 -3.017 1.00 1.00 S ATOM 0 H CYS A 10 58.186 -9.981 -5.632 1.00 1.00 H new ATOM 0 HA CYS A 10 57.137 -11.189 -3.198 1.00 1.00 H new ATOM 0 HB2 CYS A 10 58.202 -12.971 -5.166 1.00 1.00 H new ATOM 0 HB3 CYS A 10 59.446 -12.797 -3.944 1.00 1.00 H new ATOM 0 HG CYS A 10 57.343 -13.194 -1.848 1.00 1.00 H new ATOM 150 N ARG A 11 58.885 -9.494 -2.482 1.00 1.00 N ATOM 151 CA ARG A 11 59.992 -8.674 -1.912 1.00 1.00 C ATOM 152 C ARG A 11 60.517 -9.338 -0.636 1.00 1.00 C ATOM 153 O ARG A 11 60.766 -8.684 0.357 1.00 1.00 O ATOM 154 CB ARG A 11 59.465 -7.272 -1.586 1.00 1.00 C ATOM 155 CG ARG A 11 60.613 -6.259 -1.645 1.00 1.00 C ATOM 156 CD ARG A 11 60.082 -4.863 -1.305 1.00 1.00 C ATOM 157 NE ARG A 11 60.952 -3.833 -1.938 1.00 1.00 N ATOM 158 CZ ARG A 11 60.740 -2.566 -1.706 1.00 1.00 C ATOM 159 NH1 ARG A 11 59.769 -2.201 -0.914 1.00 1.00 N ATOM 160 NH2 ARG A 11 61.500 -1.665 -2.265 1.00 1.00 N ATOM 0 H ARG A 11 57.954 -9.268 -2.132 1.00 1.00 H new ATOM 0 HA ARG A 11 60.803 -8.599 -2.636 1.00 1.00 H new ATOM 0 HB2 ARG A 11 58.685 -6.993 -2.294 1.00 1.00 H new ATOM 0 HB3 ARG A 11 59.012 -7.265 -0.594 1.00 1.00 H new ATOM 0 HG2 ARG A 11 61.398 -6.542 -0.943 1.00 1.00 H new ATOM 0 HG3 ARG A 11 61.060 -6.257 -2.639 1.00 1.00 H new ATOM 0 HD2 ARG A 11 59.057 -4.756 -1.659 1.00 1.00 H new ATOM 0 HD3 ARG A 11 60.062 -4.723 -0.224 1.00 1.00 H new ATOM 0 HE ARG A 11 61.714 -4.118 -2.553 1.00 1.00 H new ATOM 0 HH11 ARG A 11 59.176 -2.906 -0.476 1.00 1.00 H new ATOM 0 HH12 ARG A 11 59.603 -1.211 -0.733 1.00 1.00 H new ATOM 0 HH21 ARG A 11 62.259 -1.951 -2.883 1.00 1.00 H new ATOM 0 HH22 ARG A 11 61.335 -0.675 -2.084 1.00 1.00 H new ATOM 174 N SER A 12 60.686 -10.633 -0.658 1.00 1.00 N ATOM 175 CA SER A 12 61.195 -11.342 0.551 1.00 1.00 C ATOM 176 C SER A 12 60.226 -11.131 1.717 1.00 1.00 C ATOM 177 O SER A 12 59.721 -10.047 1.932 1.00 1.00 O ATOM 178 CB SER A 12 62.574 -10.794 0.926 1.00 1.00 C ATOM 179 OG SER A 12 63.332 -10.582 -0.259 1.00 1.00 O ATOM 0 H SER A 12 60.493 -11.231 -1.462 1.00 1.00 H new ATOM 0 HA SER A 12 61.276 -12.408 0.336 1.00 1.00 H new ATOM 0 HB2 SER A 12 62.469 -9.859 1.477 1.00 1.00 H new ATOM 0 HB3 SER A 12 63.091 -11.495 1.582 1.00 1.00 H new ATOM 0 HG SER A 12 64.215 -10.229 -0.023 1.00 1.00 H new ATOM 185 N ALA A 13 59.964 -12.160 2.475 1.00 1.00 N ATOM 186 CA ALA A 13 59.031 -12.020 3.628 1.00 1.00 C ATOM 187 C ALA A 13 57.722 -11.382 3.157 1.00 1.00 C ATOM 188 O ALA A 13 57.564 -11.046 2.000 1.00 1.00 O ATOM 189 CB ALA A 13 59.672 -11.133 4.697 1.00 1.00 C ATOM 0 H ALA A 13 60.356 -13.093 2.345 1.00 1.00 H new ATOM 0 HA ALA A 13 58.824 -13.005 4.046 1.00 1.00 H new ATOM 0 HB1 ALA A 13 58.990 -11.030 5.541 1.00 1.00 H new ATOM 0 HB2 ALA A 13 60.603 -11.587 5.036 1.00 1.00 H new ATOM 0 HB3 ALA A 13 59.880 -10.149 4.277 1.00 1.00 H new ATOM 195 N THR A 14 56.783 -11.211 4.048 1.00 1.00 N ATOM 196 CA THR A 14 55.485 -10.594 3.657 1.00 1.00 C ATOM 197 C THR A 14 55.743 -9.279 2.922 1.00 1.00 C ATOM 198 O THR A 14 55.289 -9.078 1.813 1.00 1.00 O ATOM 199 CB THR A 14 54.651 -10.320 4.912 1.00 1.00 C ATOM 200 OG1 THR A 14 54.591 -11.497 5.706 1.00 1.00 O ATOM 201 CG2 THR A 14 53.236 -9.901 4.509 1.00 1.00 C ATOM 0 H THR A 14 56.860 -11.473 5.031 1.00 1.00 H new ATOM 0 HA THR A 14 54.944 -11.276 3.001 1.00 1.00 H new ATOM 0 HB THR A 14 55.114 -9.517 5.486 1.00 1.00 H new ATOM 0 HG1 THR A 14 54.059 -11.322 6.510 1.00 1.00 H new ATOM 0 HG21 THR A 14 52.645 -9.707 5.404 1.00 1.00 H new ATOM 0 HG22 THR A 14 53.283 -8.997 3.902 1.00 1.00 H new ATOM 0 HG23 THR A 14 52.770 -10.700 3.933 1.00 1.00 H new ATOM 209 N ARG A 15 56.462 -8.379 3.531 1.00 1.00 N ATOM 210 CA ARG A 15 56.738 -7.077 2.865 1.00 1.00 C ATOM 211 C ARG A 15 57.638 -6.231 3.774 1.00 1.00 C ATOM 212 O ARG A 15 57.396 -5.061 3.989 1.00 1.00 O ATOM 213 CB ARG A 15 55.402 -6.357 2.609 1.00 1.00 C ATOM 214 CG ARG A 15 55.237 -6.079 1.111 1.00 1.00 C ATOM 215 CD ARG A 15 53.890 -5.397 0.858 1.00 1.00 C ATOM 216 NE ARG A 15 52.782 -6.373 1.091 1.00 1.00 N ATOM 217 CZ ARG A 15 52.189 -6.439 2.256 1.00 1.00 C ATOM 218 NH1 ARG A 15 52.572 -5.664 3.234 1.00 1.00 N ATOM 219 NH2 ARG A 15 51.215 -7.287 2.443 1.00 1.00 N ATOM 0 H ARG A 15 56.870 -8.488 4.460 1.00 1.00 H new ATOM 0 HA ARG A 15 57.246 -7.234 1.914 1.00 1.00 H new ATOM 0 HB2 ARG A 15 54.575 -6.969 2.967 1.00 1.00 H new ATOM 0 HB3 ARG A 15 55.371 -5.421 3.167 1.00 1.00 H new ATOM 0 HG2 ARG A 15 56.049 -5.444 0.758 1.00 1.00 H new ATOM 0 HG3 ARG A 15 55.294 -7.012 0.550 1.00 1.00 H new ATOM 0 HD2 ARG A 15 53.776 -4.538 1.519 1.00 1.00 H new ATOM 0 HD3 ARG A 15 53.848 -5.021 -0.164 1.00 1.00 H new ATOM 0 HE ARG A 15 52.486 -6.992 0.336 1.00 1.00 H new ATOM 0 HH11 ARG A 15 53.336 -5.004 3.092 1.00 1.00 H new ATOM 0 HH12 ARG A 15 52.107 -5.719 4.140 1.00 1.00 H new ATOM 0 HH21 ARG A 15 50.917 -7.897 1.682 1.00 1.00 H new ATOM 0 HH22 ARG A 15 50.752 -7.340 3.350 1.00 1.00 H new ATOM 233 N VAL A 16 58.675 -6.827 4.308 1.00 1.00 N ATOM 234 CA VAL A 16 59.610 -6.086 5.212 1.00 1.00 C ATOM 235 C VAL A 16 58.850 -5.006 5.993 1.00 1.00 C ATOM 236 O VAL A 16 57.983 -5.304 6.790 1.00 1.00 O ATOM 237 CB VAL A 16 60.735 -5.444 4.389 1.00 1.00 C ATOM 238 CG1 VAL A 16 61.755 -6.515 3.997 1.00 1.00 C ATOM 239 CG2 VAL A 16 60.159 -4.810 3.120 1.00 1.00 C ATOM 0 H VAL A 16 58.917 -7.806 4.155 1.00 1.00 H new ATOM 0 HA VAL A 16 60.045 -6.791 5.921 1.00 1.00 H new ATOM 0 HB VAL A 16 61.219 -4.674 4.989 1.00 1.00 H new ATOM 0 HG11 VAL A 16 62.554 -6.060 3.412 1.00 1.00 H new ATOM 0 HG12 VAL A 16 62.175 -6.965 4.897 1.00 1.00 H new ATOM 0 HG13 VAL A 16 61.264 -7.285 3.402 1.00 1.00 H new ATOM 0 HG21 VAL A 16 60.964 -4.357 2.542 1.00 1.00 H new ATOM 0 HG22 VAL A 16 59.669 -5.577 2.520 1.00 1.00 H new ATOM 0 HG23 VAL A 16 59.433 -4.044 3.393 1.00 1.00 H new ATOM 249 N MET A 17 59.171 -3.757 5.778 1.00 1.00 N ATOM 250 CA MET A 17 58.468 -2.666 6.517 1.00 1.00 C ATOM 251 C MET A 17 58.363 -3.050 7.999 1.00 1.00 C ATOM 252 O MET A 17 57.303 -3.007 8.591 1.00 1.00 O ATOM 253 CB MET A 17 57.062 -2.463 5.927 1.00 1.00 C ATOM 254 CG MET A 17 57.083 -1.326 4.900 1.00 1.00 C ATOM 255 SD MET A 17 58.121 -1.797 3.494 1.00 1.00 S ATOM 256 CE MET A 17 58.659 -0.130 3.039 1.00 1.00 C ATOM 0 H MET A 17 59.889 -3.445 5.124 1.00 1.00 H new ATOM 0 HA MET A 17 59.029 -1.736 6.421 1.00 1.00 H new ATOM 0 HB2 MET A 17 56.720 -3.384 5.455 1.00 1.00 H new ATOM 0 HB3 MET A 17 56.355 -2.232 6.723 1.00 1.00 H new ATOM 0 HG2 MET A 17 56.070 -1.110 4.561 1.00 1.00 H new ATOM 0 HG3 MET A 17 57.467 -0.415 5.359 1.00 1.00 H new ATOM 0 HE1 MET A 17 59.322 -0.185 2.176 1.00 1.00 H new ATOM 0 HE2 MET A 17 57.789 0.478 2.790 1.00 1.00 H new ATOM 0 HE3 MET A 17 59.190 0.322 3.877 1.00 1.00 H new ATOM 266 N GLY A 18 59.457 -3.429 8.601 1.00 1.00 N ATOM 267 CA GLY A 18 59.420 -3.817 10.040 1.00 1.00 C ATOM 268 C GLY A 18 58.769 -2.697 10.854 1.00 1.00 C ATOM 269 O GLY A 18 58.272 -1.732 10.310 1.00 1.00 O ATOM 0 H GLY A 18 60.374 -3.487 8.159 1.00 1.00 H new ATOM 0 HA2 GLY A 18 58.860 -4.744 10.163 1.00 1.00 H new ATOM 0 HA3 GLY A 18 60.430 -4.005 10.403 1.00 1.00 H new ATOM 273 N GLY A 19 58.770 -2.818 12.156 1.00 1.00 N ATOM 274 CA GLY A 19 58.153 -1.761 13.012 1.00 1.00 C ATOM 275 C GLY A 19 59.245 -1.061 13.823 1.00 1.00 C ATOM 276 O GLY A 19 59.532 0.101 13.615 1.00 1.00 O ATOM 0 H GLY A 19 59.172 -3.605 12.665 1.00 1.00 H new ATOM 0 HA2 GLY A 19 57.625 -1.037 12.391 1.00 1.00 H new ATOM 0 HA3 GLY A 19 57.416 -2.204 13.681 1.00 1.00 H new ATOM 280 N PRO A 20 59.853 -1.766 14.741 1.00 1.00 N ATOM 281 CA PRO A 20 60.938 -1.205 15.597 1.00 1.00 C ATOM 282 C PRO A 20 62.007 -0.475 14.776 1.00 1.00 C ATOM 283 O PRO A 20 62.498 0.566 15.166 1.00 1.00 O ATOM 284 CB PRO A 20 61.537 -2.436 16.283 1.00 1.00 C ATOM 285 CG PRO A 20 60.442 -3.452 16.296 1.00 1.00 C ATOM 286 CD PRO A 20 59.574 -3.176 15.066 1.00 1.00 C ATOM 0 HA PRO A 20 60.556 -0.461 16.296 1.00 1.00 H new ATOM 0 HB2 PRO A 20 62.408 -2.804 15.741 1.00 1.00 H new ATOM 0 HB3 PRO A 20 61.867 -2.201 17.295 1.00 1.00 H new ATOM 0 HG2 PRO A 20 60.850 -4.462 16.263 1.00 1.00 H new ATOM 0 HG3 PRO A 20 59.854 -3.376 17.210 1.00 1.00 H new ATOM 0 HD2 PRO A 20 59.834 -3.835 14.238 1.00 1.00 H new ATOM 0 HD3 PRO A 20 58.517 -3.335 15.280 1.00 1.00 H new ATOM 294 N CYS A 21 62.374 -1.017 13.644 1.00 1.00 N ATOM 295 CA CYS A 21 63.414 -0.363 12.798 1.00 1.00 C ATOM 296 C CYS A 21 62.992 -0.425 11.328 1.00 1.00 C ATOM 297 O CYS A 21 63.027 -1.467 10.705 1.00 1.00 O ATOM 298 CB CYS A 21 64.746 -1.095 12.979 1.00 1.00 C ATOM 299 SG CYS A 21 65.904 -0.574 11.688 1.00 1.00 S ATOM 0 H CYS A 21 61.997 -1.887 13.269 1.00 1.00 H new ATOM 0 HA CYS A 21 63.526 0.679 13.097 1.00 1.00 H new ATOM 0 HB2 CYS A 21 65.161 -0.878 13.963 1.00 1.00 H new ATOM 0 HB3 CYS A 21 64.590 -2.173 12.929 1.00 1.00 H new ATOM 0 HG CYS A 21 67.036 -1.195 11.844 1.00 1.00 H new ATOM 304 N THR A 22 62.593 0.687 10.770 1.00 1.00 N ATOM 305 CA THR A 22 62.168 0.701 9.339 1.00 1.00 C ATOM 306 C THR A 22 62.624 2.019 8.694 1.00 1.00 C ATOM 307 O THR A 22 62.307 3.083 9.184 1.00 1.00 O ATOM 308 CB THR A 22 60.640 0.598 9.272 1.00 1.00 C ATOM 309 OG1 THR A 22 60.247 -0.718 9.633 1.00 1.00 O ATOM 310 CG2 THR A 22 60.156 0.903 7.853 1.00 1.00 C ATOM 0 H THR A 22 62.543 1.589 11.244 1.00 1.00 H new ATOM 0 HA THR A 22 62.615 -0.139 8.807 1.00 1.00 H new ATOM 0 HB THR A 22 60.199 1.319 9.960 1.00 1.00 H new ATOM 0 HG1 THR A 22 59.269 -0.775 9.645 1.00 1.00 H new ATOM 0 HG21 THR A 22 59.069 0.827 7.815 1.00 1.00 H new ATOM 0 HG22 THR A 22 60.459 1.912 7.574 1.00 1.00 H new ATOM 0 HG23 THR A 22 60.594 0.187 7.157 1.00 1.00 H new ATOM 318 N PRO A 23 63.366 1.956 7.608 1.00 1.00 N ATOM 319 CA PRO A 23 63.863 3.176 6.900 1.00 1.00 C ATOM 320 C PRO A 23 62.781 4.253 6.729 1.00 1.00 C ATOM 321 O PRO A 23 62.074 4.595 7.655 1.00 1.00 O ATOM 322 CB PRO A 23 64.306 2.644 5.536 1.00 1.00 C ATOM 323 CG PRO A 23 64.683 1.219 5.774 1.00 1.00 C ATOM 324 CD PRO A 23 63.818 0.721 6.936 1.00 1.00 C ATOM 0 HA PRO A 23 64.657 3.667 7.463 1.00 1.00 H new ATOM 0 HB2 PRO A 23 63.503 2.721 4.803 1.00 1.00 H new ATOM 0 HB3 PRO A 23 65.149 3.214 5.146 1.00 1.00 H new ATOM 0 HG2 PRO A 23 64.512 0.619 4.880 1.00 1.00 H new ATOM 0 HG3 PRO A 23 65.742 1.135 6.017 1.00 1.00 H new ATOM 0 HD2 PRO A 23 62.974 0.130 6.579 1.00 1.00 H new ATOM 0 HD3 PRO A 23 64.389 0.085 7.613 1.00 1.00 H new ATOM 332 N ARG A 24 62.650 4.796 5.549 1.00 1.00 N ATOM 333 CA ARG A 24 61.618 5.849 5.328 1.00 1.00 C ATOM 334 C ARG A 24 61.457 6.105 3.827 1.00 1.00 C ATOM 335 O ARG A 24 60.482 6.682 3.388 1.00 1.00 O ATOM 336 CB ARG A 24 62.058 7.141 6.024 1.00 1.00 C ATOM 337 CG ARG A 24 60.878 8.118 6.103 1.00 1.00 C ATOM 338 CD ARG A 24 59.790 7.562 7.033 1.00 1.00 C ATOM 339 NE ARG A 24 58.753 6.865 6.221 1.00 1.00 N ATOM 340 CZ ARG A 24 57.945 6.012 6.788 1.00 1.00 C ATOM 341 NH1 ARG A 24 58.047 5.765 8.065 1.00 1.00 N ATOM 342 NH2 ARG A 24 57.034 5.404 6.077 1.00 1.00 N ATOM 0 H ARG A 24 63.211 4.557 4.731 1.00 1.00 H new ATOM 0 HA ARG A 24 60.665 5.517 5.740 1.00 1.00 H new ATOM 0 HB2 ARG A 24 62.425 6.918 7.026 1.00 1.00 H new ATOM 0 HB3 ARG A 24 62.883 7.597 5.477 1.00 1.00 H new ATOM 0 HG2 ARG A 24 61.221 9.085 6.470 1.00 1.00 H new ATOM 0 HG3 ARG A 24 60.466 8.283 5.107 1.00 1.00 H new ATOM 0 HD2 ARG A 24 60.229 6.871 7.752 1.00 1.00 H new ATOM 0 HD3 ARG A 24 59.336 8.372 7.605 1.00 1.00 H new ATOM 0 HE ARG A 24 58.675 7.055 5.222 1.00 1.00 H new ATOM 0 HH11 ARG A 24 58.759 6.239 8.621 1.00 1.00 H new ATOM 0 HH12 ARG A 24 57.415 5.098 8.508 1.00 1.00 H new ATOM 0 HH21 ARG A 24 56.954 5.596 5.078 1.00 1.00 H new ATOM 0 HH22 ARG A 24 56.402 4.737 6.520 1.00 1.00 H new ATOM 356 N LYS A 25 62.405 5.681 3.037 1.00 1.00 N ATOM 357 CA LYS A 25 62.303 5.902 1.567 1.00 1.00 C ATOM 358 C LYS A 25 62.093 7.392 1.289 1.00 1.00 C ATOM 359 O LYS A 25 60.991 7.836 1.035 1.00 1.00 O ATOM 360 CB LYS A 25 61.116 5.107 1.015 1.00 1.00 C ATOM 361 CG LYS A 25 61.137 5.142 -0.518 1.00 1.00 C ATOM 362 CD LYS A 25 62.320 4.318 -1.048 1.00 1.00 C ATOM 363 CE LYS A 25 61.979 3.766 -2.435 1.00 1.00 C ATOM 364 NZ LYS A 25 63.123 2.956 -2.941 1.00 1.00 N ATOM 0 H LYS A 25 63.245 5.192 3.346 1.00 1.00 H new ATOM 0 HA LYS A 25 63.221 5.569 1.083 1.00 1.00 H new ATOM 0 HB2 LYS A 25 61.162 4.076 1.365 1.00 1.00 H new ATOM 0 HB3 LYS A 25 60.181 5.528 1.385 1.00 1.00 H new ATOM 0 HG2 LYS A 25 60.201 4.745 -0.912 1.00 1.00 H new ATOM 0 HG3 LYS A 25 61.217 6.172 -0.865 1.00 1.00 H new ATOM 0 HD2 LYS A 25 63.214 4.939 -1.102 1.00 1.00 H new ATOM 0 HD3 LYS A 25 62.542 3.499 -0.364 1.00 1.00 H new ATOM 0 HE2 LYS A 25 61.080 3.152 -2.383 1.00 1.00 H new ATOM 0 HE3 LYS A 25 61.767 4.585 -3.122 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 62.893 2.580 -3.883 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 63.971 3.555 -3.005 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 63.305 2.167 -2.289 1.00 1.00 H new ATOM 378 N GLY A 26 63.141 8.170 1.339 1.00 1.00 N ATOM 379 CA GLY A 26 62.997 9.631 1.080 1.00 1.00 C ATOM 380 C GLY A 26 62.956 9.883 -0.431 1.00 1.00 C ATOM 381 O GLY A 26 63.270 9.014 -1.220 1.00 1.00 O ATOM 0 H GLY A 26 64.089 7.857 1.548 1.00 1.00 H new ATOM 0 HA2 GLY A 26 62.086 10.005 1.546 1.00 1.00 H new ATOM 0 HA3 GLY A 26 63.830 10.174 1.527 1.00 1.00 H new ATOM 385 N PRO A 27 62.571 11.069 -0.828 1.00 1.00 N ATOM 386 CA PRO A 27 62.487 11.449 -2.268 1.00 1.00 C ATOM 387 C PRO A 27 63.726 11.002 -3.063 1.00 1.00 C ATOM 388 O PRO A 27 64.843 11.169 -2.614 1.00 1.00 O ATOM 389 CB PRO A 27 62.403 12.977 -2.228 1.00 1.00 C ATOM 390 CG PRO A 27 61.775 13.300 -0.911 1.00 1.00 C ATOM 391 CD PRO A 27 62.173 12.179 0.054 1.00 1.00 C ATOM 0 HA PRO A 27 61.641 10.974 -2.766 1.00 1.00 H new ATOM 0 HB2 PRO A 27 63.391 13.428 -2.314 1.00 1.00 H new ATOM 0 HB3 PRO A 27 61.804 13.360 -3.054 1.00 1.00 H new ATOM 0 HG2 PRO A 27 62.120 14.267 -0.544 1.00 1.00 H new ATOM 0 HG3 PRO A 27 60.691 13.363 -1.004 1.00 1.00 H new ATOM 0 HD2 PRO A 27 62.993 12.485 0.704 1.00 1.00 H new ATOM 0 HD3 PRO A 27 61.342 11.896 0.700 1.00 1.00 H new ATOM 399 N PRO A 28 63.537 10.443 -4.235 1.00 1.00 N ATOM 400 CA PRO A 28 64.667 9.980 -5.090 1.00 1.00 C ATOM 401 C PRO A 28 65.813 10.997 -5.135 1.00 1.00 C ATOM 402 O PRO A 28 65.601 12.171 -5.364 1.00 1.00 O ATOM 403 CB PRO A 28 64.033 9.830 -6.474 1.00 1.00 C ATOM 404 CG PRO A 28 62.589 9.539 -6.219 1.00 1.00 C ATOM 405 CD PRO A 28 62.233 10.189 -4.876 1.00 1.00 C ATOM 0 HA PRO A 28 65.113 9.060 -4.711 1.00 1.00 H new ATOM 0 HB2 PRO A 28 64.153 10.740 -7.062 1.00 1.00 H new ATOM 0 HB3 PRO A 28 64.503 9.023 -7.036 1.00 1.00 H new ATOM 0 HG2 PRO A 28 61.967 9.941 -7.019 1.00 1.00 H new ATOM 0 HG3 PRO A 28 62.412 8.464 -6.187 1.00 1.00 H new ATOM 0 HD2 PRO A 28 61.673 11.113 -5.018 1.00 1.00 H new ATOM 0 HD3 PRO A 28 61.613 9.531 -4.268 1.00 1.00 H new ATOM 413 N LYS A 29 67.025 10.558 -4.923 1.00 1.00 N ATOM 414 CA LYS A 29 68.174 11.508 -4.960 1.00 1.00 C ATOM 415 C LYS A 29 69.490 10.731 -4.864 1.00 1.00 C ATOM 416 O LYS A 29 70.400 11.118 -4.158 1.00 1.00 O ATOM 417 CB LYS A 29 68.066 12.487 -3.784 1.00 1.00 C ATOM 418 CG LYS A 29 68.785 13.798 -4.130 1.00 1.00 C ATOM 419 CD LYS A 29 67.989 14.573 -5.192 1.00 1.00 C ATOM 420 CE LYS A 29 68.193 16.077 -4.995 1.00 1.00 C ATOM 421 NZ LYS A 29 69.609 16.342 -4.615 1.00 1.00 N ATOM 0 H LYS A 29 67.268 9.587 -4.727 1.00 1.00 H new ATOM 0 HA LYS A 29 68.154 12.064 -5.898 1.00 1.00 H new ATOM 0 HB2 LYS A 29 67.018 12.685 -3.559 1.00 1.00 H new ATOM 0 HB3 LYS A 29 68.506 12.045 -2.890 1.00 1.00 H new ATOM 0 HG2 LYS A 29 68.899 14.407 -3.233 1.00 1.00 H new ATOM 0 HG3 LYS A 29 69.788 13.585 -4.500 1.00 1.00 H new ATOM 0 HD2 LYS A 29 68.315 14.280 -6.190 1.00 1.00 H new ATOM 0 HD3 LYS A 29 66.930 14.327 -5.117 1.00 1.00 H new ATOM 0 HE2 LYS A 29 67.946 16.611 -5.912 1.00 1.00 H new ATOM 0 HE3 LYS A 29 67.522 16.447 -4.220 1.00 1.00 H new ATOM 0 HZ1 LYS A 29 69.865 17.313 -4.886 1.00 1.00 H new ATOM 0 HZ2 LYS A 29 69.720 16.228 -3.587 1.00 1.00 H new ATOM 0 HZ3 LYS A 29 70.232 15.670 -5.107 1.00 1.00 H new ATOM 435 N CYS A 30 69.601 9.640 -5.573 1.00 1.00 N ATOM 436 CA CYS A 30 70.860 8.842 -5.526 1.00 1.00 C ATOM 437 C CYS A 30 71.295 8.656 -4.072 1.00 1.00 C ATOM 438 O CYS A 30 70.841 7.761 -3.387 1.00 1.00 O ATOM 439 CB CYS A 30 71.958 9.578 -6.297 1.00 1.00 C ATOM 440 SG CYS A 30 71.648 9.427 -8.075 1.00 1.00 S ATOM 0 H CYS A 30 68.874 9.267 -6.183 1.00 1.00 H new ATOM 0 HA CYS A 30 70.688 7.866 -5.980 1.00 1.00 H new ATOM 0 HB2 CYS A 30 71.979 10.629 -6.008 1.00 1.00 H new ATOM 0 HB3 CYS A 30 72.934 9.160 -6.050 1.00 1.00 H new ATOM 445 N LYS A 31 72.175 9.492 -3.594 1.00 1.00 N ATOM 446 CA LYS A 31 72.639 9.356 -2.186 1.00 1.00 C ATOM 447 C LYS A 31 73.282 10.668 -1.724 1.00 1.00 C ATOM 448 O LYS A 31 73.682 10.801 -0.586 1.00 1.00 O ATOM 449 CB LYS A 31 73.661 8.214 -2.092 1.00 1.00 C ATOM 450 CG LYS A 31 74.428 8.087 -3.413 1.00 1.00 C ATOM 451 CD LYS A 31 75.085 9.426 -3.763 1.00 1.00 C ATOM 452 CE LYS A 31 76.212 9.196 -4.771 1.00 1.00 C ATOM 453 NZ LYS A 31 76.817 10.505 -5.146 1.00 1.00 N ATOM 0 H LYS A 31 72.592 10.262 -4.117 1.00 1.00 H new ATOM 0 HA LYS A 31 71.787 9.132 -1.544 1.00 1.00 H new ATOM 0 HB2 LYS A 31 74.357 8.404 -1.275 1.00 1.00 H new ATOM 0 HB3 LYS A 31 73.152 7.277 -1.866 1.00 1.00 H new ATOM 0 HG2 LYS A 31 75.188 7.310 -3.330 1.00 1.00 H new ATOM 0 HG3 LYS A 31 73.749 7.785 -4.211 1.00 1.00 H new ATOM 0 HD2 LYS A 31 74.344 10.108 -4.180 1.00 1.00 H new ATOM 0 HD3 LYS A 31 75.479 9.896 -2.862 1.00 1.00 H new ATOM 0 HE2 LYS A 31 76.971 8.542 -4.341 1.00 1.00 H new ATOM 0 HE3 LYS A 31 75.825 8.695 -5.658 1.00 1.00 H new ATOM 0 HZ1 LYS A 31 77.513 10.361 -5.905 1.00 1.00 H new ATOM 0 HZ2 LYS A 31 76.071 11.150 -5.478 1.00 1.00 H new ATOM 0 HZ3 LYS A 31 77.290 10.919 -4.317 1.00 1.00 H new ATOM 467 N GLN A 32 73.377 11.638 -2.595 1.00 1.00 N ATOM 468 CA GLN A 32 73.989 12.942 -2.201 1.00 1.00 C ATOM 469 C GLN A 32 75.291 12.690 -1.436 1.00 1.00 C ATOM 470 O GLN A 32 75.283 12.378 -0.261 1.00 1.00 O ATOM 471 CB GLN A 32 73.014 13.713 -1.309 1.00 1.00 C ATOM 472 CG GLN A 32 71.767 14.084 -2.115 1.00 1.00 C ATOM 473 CD GLN A 32 70.970 15.151 -1.362 1.00 1.00 C ATOM 474 OE1 GLN A 32 71.231 16.330 -1.498 1.00 1.00 O ATOM 475 NE2 GLN A 32 70.001 14.785 -0.568 1.00 1.00 N ATOM 0 H GLN A 32 73.057 11.584 -3.562 1.00 1.00 H new ATOM 0 HA GLN A 32 74.204 13.526 -3.096 1.00 1.00 H new ATOM 0 HB2 GLN A 32 72.736 13.106 -0.447 1.00 1.00 H new ATOM 0 HB3 GLN A 32 73.492 14.614 -0.924 1.00 1.00 H new ATOM 0 HG2 GLN A 32 72.054 14.456 -3.098 1.00 1.00 H new ATOM 0 HG3 GLN A 32 71.149 13.200 -2.277 1.00 1.00 H new ATOM 0 HE21 GLN A 32 69.782 13.795 -0.454 1.00 1.00 H new ATOM 0 HE22 GLN A 32 69.463 15.488 -0.062 1.00 1.00 H new ATOM 484 N ARG A 33 76.411 12.822 -2.091 1.00 1.00 N ATOM 485 CA ARG A 33 77.708 12.585 -1.397 1.00 1.00 C ATOM 486 C ARG A 33 78.022 13.753 -0.459 1.00 1.00 C ATOM 487 O ARG A 33 79.161 14.147 -0.310 1.00 1.00 O ATOM 488 CB ARG A 33 78.829 12.448 -2.433 1.00 1.00 C ATOM 489 CG ARG A 33 78.764 13.613 -3.436 1.00 1.00 C ATOM 490 CD ARG A 33 78.244 13.114 -4.789 1.00 1.00 C ATOM 491 NE ARG A 33 79.021 11.914 -5.212 1.00 1.00 N ATOM 492 CZ ARG A 33 80.227 12.050 -5.692 1.00 1.00 C ATOM 493 NH1 ARG A 33 80.750 13.239 -5.817 1.00 1.00 N ATOM 494 NH2 ARG A 33 80.909 10.996 -6.050 1.00 1.00 N ATOM 0 H ARG A 33 76.485 13.083 -3.074 1.00 1.00 H new ATOM 0 HA ARG A 33 77.635 11.667 -0.814 1.00 1.00 H new ATOM 0 HB2 ARG A 33 79.798 12.441 -1.934 1.00 1.00 H new ATOM 0 HB3 ARG A 33 78.735 11.498 -2.960 1.00 1.00 H new ATOM 0 HG2 ARG A 33 78.111 14.397 -3.053 1.00 1.00 H new ATOM 0 HG3 ARG A 33 79.753 14.054 -3.558 1.00 1.00 H new ATOM 0 HD2 ARG A 33 77.185 12.866 -4.714 1.00 1.00 H new ATOM 0 HD3 ARG A 33 78.335 13.901 -5.538 1.00 1.00 H new ATOM 0 HE ARG A 33 78.609 10.985 -5.126 1.00 1.00 H new ATOM 0 HH11 ARG A 33 80.216 14.063 -5.539 1.00 1.00 H new ATOM 0 HH12 ARG A 33 81.693 13.345 -6.192 1.00 1.00 H new ATOM 0 HH21 ARG A 33 80.499 10.067 -5.955 1.00 1.00 H new ATOM 0 HH22 ARG A 33 81.852 11.102 -6.425 1.00 1.00 H new ATOM 508 N GLN A 34 77.028 14.304 0.188 1.00 1.00 N ATOM 509 CA GLN A 34 77.291 15.435 1.124 1.00 1.00 C ATOM 510 C GLN A 34 78.395 15.015 2.094 1.00 1.00 C ATOM 511 O GLN A 34 79.567 15.084 1.784 1.00 1.00 O ATOM 512 CB GLN A 34 76.016 15.760 1.909 1.00 1.00 C ATOM 513 CG GLN A 34 75.061 16.562 1.024 1.00 1.00 C ATOM 514 CD GLN A 34 75.585 17.991 0.873 1.00 1.00 C ATOM 515 OE1 GLN A 34 75.573 18.757 1.816 1.00 1.00 O ATOM 516 NE2 GLN A 34 76.048 18.384 -0.281 1.00 1.00 N ATOM 0 H GLN A 34 76.051 14.021 0.109 1.00 1.00 H new ATOM 0 HA GLN A 34 77.599 16.319 0.565 1.00 1.00 H new ATOM 0 HB2 GLN A 34 75.535 14.839 2.239 1.00 1.00 H new ATOM 0 HB3 GLN A 34 76.263 16.330 2.805 1.00 1.00 H new ATOM 0 HG2 GLN A 34 74.972 16.090 0.045 1.00 1.00 H new ATOM 0 HG3 GLN A 34 74.064 16.573 1.464 1.00 1.00 H new ATOM 0 HE21 GLN A 34 76.058 17.741 -1.072 1.00 1.00 H new ATOM 0 HE22 GLN A 34 76.400 19.335 -0.392 1.00 1.00 H new ATOM 525 N THR A 35 78.031 14.550 3.257 1.00 1.00 N ATOM 526 CA THR A 35 79.062 14.094 4.224 1.00 1.00 C ATOM 527 C THR A 35 79.482 12.683 3.808 1.00 1.00 C ATOM 528 O THR A 35 79.810 12.447 2.662 1.00 1.00 O ATOM 529 CB THR A 35 78.468 14.090 5.642 1.00 1.00 C ATOM 530 OG1 THR A 35 77.470 15.097 5.733 1.00 1.00 O ATOM 531 CG2 THR A 35 79.569 14.373 6.667 1.00 1.00 C ATOM 0 H THR A 35 77.066 14.467 3.577 1.00 1.00 H new ATOM 0 HA THR A 35 79.927 14.757 4.225 1.00 1.00 H new ATOM 0 HB THR A 35 78.029 13.114 5.847 1.00 1.00 H new ATOM 0 HG1 THR A 35 77.087 15.097 6.635 1.00 1.00 H new ATOM 0 HG21 THR A 35 79.142 14.369 7.670 1.00 1.00 H new ATOM 0 HG22 THR A 35 80.338 13.604 6.597 1.00 1.00 H new ATOM 0 HG23 THR A 35 80.012 15.348 6.465 1.00 1.00 H new ATOM 539 N ARG A 36 79.456 11.733 4.701 1.00 1.00 N ATOM 540 CA ARG A 36 79.832 10.351 4.301 1.00 1.00 C ATOM 541 C ARG A 36 81.163 10.398 3.537 1.00 1.00 C ATOM 542 O ARG A 36 81.464 9.546 2.728 1.00 1.00 O ATOM 543 CB ARG A 36 78.708 9.795 3.410 1.00 1.00 C ATOM 544 CG ARG A 36 79.088 8.439 2.801 1.00 1.00 C ATOM 545 CD ARG A 36 79.747 7.541 3.852 1.00 1.00 C ATOM 546 NE ARG A 36 79.849 6.160 3.306 1.00 1.00 N ATOM 547 CZ ARG A 36 80.620 5.920 2.281 1.00 1.00 C ATOM 548 NH1 ARG A 36 81.355 6.873 1.775 1.00 1.00 N ATOM 549 NH2 ARG A 36 80.664 4.724 1.769 1.00 1.00 N ATOM 0 H ARG A 36 79.194 11.852 5.679 1.00 1.00 H new ATOM 0 HA ARG A 36 79.958 9.706 5.171 1.00 1.00 H new ATOM 0 HB2 ARG A 36 77.796 9.688 3.998 1.00 1.00 H new ATOM 0 HB3 ARG A 36 78.491 10.505 2.612 1.00 1.00 H new ATOM 0 HG2 ARG A 36 78.198 7.950 2.404 1.00 1.00 H new ATOM 0 HG3 ARG A 36 79.770 8.589 1.964 1.00 1.00 H new ATOM 0 HD2 ARG A 36 80.737 7.921 4.106 1.00 1.00 H new ATOM 0 HD3 ARG A 36 79.160 7.541 4.771 1.00 1.00 H new ATOM 0 HE ARG A 36 79.317 5.402 3.733 1.00 1.00 H new ATOM 0 HH11 ARG A 36 81.328 7.808 2.181 1.00 1.00 H new ATOM 0 HH12 ARG A 36 81.957 6.682 0.974 1.00 1.00 H new ATOM 0 HH21 ARG A 36 80.097 3.977 2.169 1.00 1.00 H new ATOM 0 HH22 ARG A 36 81.266 4.534 0.968 1.00 1.00 H new ATOM 563 N GLN A 37 81.962 11.398 3.794 1.00 1.00 N ATOM 564 CA GLN A 37 83.276 11.512 3.092 1.00 1.00 C ATOM 565 C GLN A 37 83.941 10.135 3.010 1.00 1.00 C ATOM 566 O GLN A 37 83.986 9.519 1.964 1.00 1.00 O ATOM 567 CB GLN A 37 84.187 12.469 3.865 1.00 1.00 C ATOM 568 CG GLN A 37 83.397 13.713 4.278 1.00 1.00 C ATOM 569 CD GLN A 37 82.722 14.324 3.048 1.00 1.00 C ATOM 570 OE1 GLN A 37 81.742 13.801 2.555 1.00 1.00 O ATOM 571 NE2 GLN A 37 83.209 15.417 2.528 1.00 1.00 N ATOM 0 H GLN A 37 81.762 12.143 4.461 1.00 1.00 H new ATOM 0 HA GLN A 37 83.112 11.895 2.085 1.00 1.00 H new ATOM 0 HB2 GLN A 37 84.588 11.971 4.748 1.00 1.00 H new ATOM 0 HB3 GLN A 37 85.038 12.755 3.247 1.00 1.00 H new ATOM 0 HG2 GLN A 37 82.647 13.449 5.023 1.00 1.00 H new ATOM 0 HG3 GLN A 37 84.063 14.442 4.740 1.00 1.00 H new ATOM 0 HE21 GLN A 37 84.031 15.856 2.942 1.00 1.00 H new ATOM 0 HE22 GLN A 37 82.767 15.832 1.708 1.00 1.00 H new ATOM 580 N CYS A 38 84.454 9.646 4.109 1.00 1.00 N ATOM 581 CA CYS A 38 85.112 8.308 4.101 1.00 1.00 C ATOM 582 C CYS A 38 86.234 8.294 3.059 1.00 1.00 C ATOM 583 O CYS A 38 86.261 9.100 2.150 1.00 1.00 O ATOM 584 CB CYS A 38 84.075 7.229 3.763 1.00 1.00 C ATOM 585 SG CYS A 38 84.864 5.884 2.840 1.00 1.00 S ATOM 0 H CYS A 38 84.445 10.118 5.013 1.00 1.00 H new ATOM 0 HA CYS A 38 85.535 8.105 5.085 1.00 1.00 H new ATOM 0 HB2 CYS A 38 83.629 6.841 4.679 1.00 1.00 H new ATOM 0 HB3 CYS A 38 83.266 7.661 3.173 1.00 1.00 H new ATOM 0 HG CYS A 38 85.628 5.199 3.639 1.00 1.00 H new ATOM 590 N LYS A 39 87.160 7.380 3.187 1.00 1.00 N ATOM 591 CA LYS A 39 88.285 7.302 2.210 1.00 1.00 C ATOM 592 C LYS A 39 88.830 8.706 1.939 1.00 1.00 C ATOM 593 O LYS A 39 88.325 9.428 1.103 1.00 1.00 O ATOM 594 CB LYS A 39 87.784 6.683 0.898 1.00 1.00 C ATOM 595 CG LYS A 39 87.758 5.146 0.997 1.00 1.00 C ATOM 596 CD LYS A 39 89.165 4.563 1.232 1.00 1.00 C ATOM 597 CE LYS A 39 90.205 5.280 0.364 1.00 1.00 C ATOM 598 NZ LYS A 39 89.701 5.388 -1.035 1.00 1.00 N ATOM 0 H LYS A 39 87.185 6.681 3.930 1.00 1.00 H new ATOM 0 HA LYS A 39 89.079 6.681 2.624 1.00 1.00 H new ATOM 0 HB2 LYS A 39 86.784 7.055 0.673 1.00 1.00 H new ATOM 0 HB3 LYS A 39 88.431 6.989 0.075 1.00 1.00 H new ATOM 0 HG2 LYS A 39 87.099 4.846 1.812 1.00 1.00 H new ATOM 0 HG3 LYS A 39 87.341 4.730 0.080 1.00 1.00 H new ATOM 0 HD2 LYS A 39 89.433 4.662 2.284 1.00 1.00 H new ATOM 0 HD3 LYS A 39 89.165 3.498 1.001 1.00 1.00 H new ATOM 0 HE2 LYS A 39 90.407 6.273 0.766 1.00 1.00 H new ATOM 0 HE3 LYS A 39 91.147 4.732 0.380 1.00 1.00 H new ATOM 0 HZ1 LYS A 39 90.437 5.065 -1.695 1.00 1.00 H new ATOM 0 HZ2 LYS A 39 88.853 4.796 -1.145 1.00 1.00 H new ATOM 0 HZ3 LYS A 39 89.461 6.378 -1.242 1.00 1.00 H new ATOM 612 N SER A 40 89.863 9.093 2.640 1.00 1.00 N ATOM 613 CA SER A 40 90.455 10.447 2.431 1.00 1.00 C ATOM 614 C SER A 40 91.912 10.298 1.990 1.00 1.00 C ATOM 615 O SER A 40 92.668 11.249 1.990 1.00 1.00 O ATOM 616 CB SER A 40 90.397 11.235 3.740 1.00 1.00 C ATOM 617 OG SER A 40 90.818 12.571 3.501 1.00 1.00 O ATOM 0 H SER A 40 90.324 8.526 3.352 1.00 1.00 H new ATOM 0 HA SER A 40 89.893 10.978 1.663 1.00 1.00 H new ATOM 0 HB2 SER A 40 89.383 11.227 4.139 1.00 1.00 H new ATOM 0 HB3 SER A 40 91.037 10.768 4.488 1.00 1.00 H new ATOM 0 HG SER A 40 91.585 12.568 2.891 1.00 1.00 H new ATOM 623 N LYS A 41 92.312 9.109 1.613 1.00 1.00 N ATOM 624 CA LYS A 41 93.722 8.893 1.169 1.00 1.00 C ATOM 625 C LYS A 41 93.726 8.316 -0.254 1.00 1.00 C ATOM 626 O LYS A 41 92.825 7.593 -0.633 1.00 1.00 O ATOM 627 CB LYS A 41 94.411 7.901 2.116 1.00 1.00 C ATOM 628 CG LYS A 41 94.080 8.251 3.579 1.00 1.00 C ATOM 629 CD LYS A 41 93.118 7.210 4.167 1.00 1.00 C ATOM 630 CE LYS A 41 93.901 5.960 4.578 1.00 1.00 C ATOM 631 NZ LYS A 41 92.967 4.958 5.165 1.00 1.00 N ATOM 0 H LYS A 41 91.721 8.278 1.594 1.00 1.00 H new ATOM 0 HA LYS A 41 94.255 9.844 1.183 1.00 1.00 H new ATOM 0 HB2 LYS A 41 94.083 6.886 1.893 1.00 1.00 H new ATOM 0 HB3 LYS A 41 95.490 7.928 1.962 1.00 1.00 H new ATOM 0 HG2 LYS A 41 94.996 8.285 4.169 1.00 1.00 H new ATOM 0 HG3 LYS A 41 93.631 9.243 3.631 1.00 1.00 H new ATOM 0 HD2 LYS A 41 92.599 7.626 5.030 1.00 1.00 H new ATOM 0 HD3 LYS A 41 92.356 6.949 3.433 1.00 1.00 H new ATOM 0 HE2 LYS A 41 94.409 5.535 3.712 1.00 1.00 H new ATOM 0 HE3 LYS A 41 94.672 6.223 5.303 1.00 1.00 H new ATOM 0 HZ1 LYS A 41 93.499 4.109 5.444 1.00 1.00 H new ATOM 0 HZ2 LYS A 41 92.502 5.365 6.001 1.00 1.00 H new ATOM 0 HZ3 LYS A 41 92.248 4.699 4.460 1.00 1.00 H new ATOM 645 N PRO A 42 94.733 8.623 -1.038 1.00 1.00 N ATOM 646 CA PRO A 42 94.840 8.110 -2.435 1.00 1.00 C ATOM 647 C PRO A 42 94.602 6.595 -2.511 1.00 1.00 C ATOM 648 O PRO A 42 94.738 5.893 -1.528 1.00 1.00 O ATOM 649 CB PRO A 42 96.282 8.442 -2.838 1.00 1.00 C ATOM 650 CG PRO A 42 96.685 9.593 -1.976 1.00 1.00 C ATOM 651 CD PRO A 42 95.872 9.488 -0.682 1.00 1.00 C ATOM 0 HA PRO A 42 94.092 8.557 -3.089 1.00 1.00 H new ATOM 0 HB2 PRO A 42 96.939 7.587 -2.682 1.00 1.00 H new ATOM 0 HB3 PRO A 42 96.344 8.703 -3.894 1.00 1.00 H new ATOM 0 HG2 PRO A 42 97.754 9.561 -1.764 1.00 1.00 H new ATOM 0 HG3 PRO A 42 96.488 10.540 -2.479 1.00 1.00 H new ATOM 0 HD2 PRO A 42 96.463 9.056 0.125 1.00 1.00 H new ATOM 0 HD3 PRO A 42 95.537 10.468 -0.342 1.00 1.00 H new ATOM 659 N PRO A 43 94.257 6.094 -3.669 1.00 1.00 N ATOM 660 CA PRO A 43 94.009 4.636 -3.870 1.00 1.00 C ATOM 661 C PRO A 43 95.314 3.833 -3.880 1.00 1.00 C ATOM 662 O PRO A 43 96.212 4.102 -4.652 1.00 1.00 O ATOM 663 CB PRO A 43 93.326 4.572 -5.239 1.00 1.00 C ATOM 664 CG PRO A 43 93.815 5.777 -5.973 1.00 1.00 C ATOM 665 CD PRO A 43 94.065 6.856 -4.916 1.00 1.00 C ATOM 0 HA PRO A 43 93.410 4.205 -3.068 1.00 1.00 H new ATOM 0 HB2 PRO A 43 93.587 3.655 -5.768 1.00 1.00 H new ATOM 0 HB3 PRO A 43 92.241 4.584 -5.139 1.00 1.00 H new ATOM 0 HG2 PRO A 43 94.729 5.552 -6.522 1.00 1.00 H new ATOM 0 HG3 PRO A 43 93.078 6.112 -6.703 1.00 1.00 H new ATOM 0 HD2 PRO A 43 94.943 7.455 -5.157 1.00 1.00 H new ATOM 0 HD3 PRO A 43 93.222 7.542 -4.839 1.00 1.00 H new ATOM 673 N LYS A 44 95.428 2.853 -3.027 1.00 1.00 N ATOM 674 CA LYS A 44 96.678 2.042 -2.992 1.00 1.00 C ATOM 675 C LYS A 44 96.457 0.802 -2.121 1.00 1.00 C ATOM 676 O LYS A 44 96.389 -0.308 -2.611 1.00 1.00 O ATOM 677 CB LYS A 44 97.818 2.894 -2.410 1.00 1.00 C ATOM 678 CG LYS A 44 98.918 3.081 -3.460 1.00 1.00 C ATOM 679 CD LYS A 44 100.044 3.936 -2.874 1.00 1.00 C ATOM 680 CE LYS A 44 100.999 4.361 -3.991 1.00 1.00 C ATOM 681 NZ LYS A 44 101.622 3.151 -4.597 1.00 1.00 N ATOM 0 H LYS A 44 94.712 2.579 -2.354 1.00 1.00 H new ATOM 0 HA LYS A 44 96.942 1.727 -4.001 1.00 1.00 H new ATOM 0 HB2 LYS A 44 97.434 3.865 -2.096 1.00 1.00 H new ATOM 0 HB3 LYS A 44 98.228 2.411 -1.523 1.00 1.00 H new ATOM 0 HG2 LYS A 44 99.307 2.111 -3.771 1.00 1.00 H new ATOM 0 HG3 LYS A 44 98.509 3.560 -4.349 1.00 1.00 H new ATOM 0 HD2 LYS A 44 99.628 4.816 -2.383 1.00 1.00 H new ATOM 0 HD3 LYS A 44 100.585 3.372 -2.114 1.00 1.00 H new ATOM 0 HE2 LYS A 44 100.459 4.925 -4.751 1.00 1.00 H new ATOM 0 HE3 LYS A 44 101.771 5.020 -3.593 1.00 1.00 H new ATOM 0 HZ1 LYS A 44 102.434 3.434 -5.181 1.00 1.00 H new ATOM 0 HZ2 LYS A 44 101.945 2.512 -3.843 1.00 1.00 H new ATOM 0 HZ3 LYS A 44 100.923 2.661 -5.191 1.00 1.00 H new ATOM 695 N LYS A 45 96.349 0.982 -0.831 1.00 1.00 N ATOM 696 CA LYS A 45 96.136 -0.183 0.077 1.00 1.00 C ATOM 697 C LYS A 45 95.104 0.185 1.144 1.00 1.00 C ATOM 698 O LYS A 45 95.433 0.732 2.178 1.00 1.00 O ATOM 699 CB LYS A 45 97.461 -0.548 0.753 1.00 1.00 C ATOM 700 CG LYS A 45 98.341 -1.333 -0.226 1.00 1.00 C ATOM 701 CD LYS A 45 99.809 -1.231 0.202 1.00 1.00 C ATOM 702 CE LYS A 45 99.951 -1.644 1.671 1.00 1.00 C ATOM 703 NZ LYS A 45 99.657 -0.474 2.546 1.00 1.00 N ATOM 0 H LYS A 45 96.399 1.888 -0.366 1.00 1.00 H new ATOM 0 HA LYS A 45 95.774 -1.034 -0.500 1.00 1.00 H new ATOM 0 HB2 LYS A 45 97.977 0.356 1.076 1.00 1.00 H new ATOM 0 HB3 LYS A 45 97.273 -1.144 1.646 1.00 1.00 H new ATOM 0 HG2 LYS A 45 98.031 -2.378 -0.251 1.00 1.00 H new ATOM 0 HG3 LYS A 45 98.218 -0.940 -1.235 1.00 1.00 H new ATOM 0 HD2 LYS A 45 100.426 -1.873 -0.427 1.00 1.00 H new ATOM 0 HD3 LYS A 45 100.167 -0.211 0.065 1.00 1.00 H new ATOM 0 HE2 LYS A 45 99.267 -2.462 1.898 1.00 1.00 H new ATOM 0 HE3 LYS A 45 100.960 -2.010 1.861 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 100.344 -0.442 3.326 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 99.724 0.402 1.989 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 98.697 -0.564 2.935 1.00 1.00 H new ATOM 717 N GLY A 46 93.856 -0.111 0.903 1.00 1.00 N ATOM 718 CA GLY A 46 92.805 0.221 1.906 1.00 1.00 C ATOM 719 C GLY A 46 92.886 -0.764 3.074 1.00 1.00 C ATOM 720 O GLY A 46 92.352 -1.854 3.017 1.00 1.00 O ATOM 0 H GLY A 46 93.519 -0.568 0.056 1.00 1.00 H new ATOM 0 HA2 GLY A 46 92.940 1.241 2.266 1.00 1.00 H new ATOM 0 HA3 GLY A 46 91.819 0.174 1.444 1.00 1.00 H new ATOM 724 N VAL A 47 93.552 -0.390 4.132 1.00 1.00 N ATOM 725 CA VAL A 47 93.669 -1.306 5.302 1.00 1.00 C ATOM 726 C VAL A 47 92.407 -1.204 6.160 1.00 1.00 C ATOM 727 O VAL A 47 91.345 -0.856 5.682 1.00 1.00 O ATOM 728 CB VAL A 47 94.886 -0.909 6.139 1.00 1.00 C ATOM 729 CG1 VAL A 47 96.150 -1.008 5.284 1.00 1.00 C ATOM 730 CG2 VAL A 47 94.715 0.530 6.632 1.00 1.00 C ATOM 0 H VAL A 47 94.020 0.510 4.237 1.00 1.00 H new ATOM 0 HA VAL A 47 93.787 -2.331 4.950 1.00 1.00 H new ATOM 0 HB VAL A 47 94.974 -1.580 6.994 1.00 1.00 H new ATOM 0 HG11 VAL A 47 97.017 -0.725 5.882 1.00 1.00 H new ATOM 0 HG12 VAL A 47 96.271 -2.032 4.931 1.00 1.00 H new ATOM 0 HG13 VAL A 47 96.064 -0.338 4.429 1.00 1.00 H new ATOM 0 HG21 VAL A 47 95.581 0.815 7.229 1.00 1.00 H new ATOM 0 HG22 VAL A 47 94.627 1.200 5.776 1.00 1.00 H new ATOM 0 HG23 VAL A 47 93.815 0.601 7.242 1.00 1.00 H new ATOM 740 N GLN A 48 92.515 -1.503 7.426 1.00 1.00 N ATOM 741 CA GLN A 48 91.323 -1.422 8.315 1.00 1.00 C ATOM 742 C GLN A 48 90.927 0.046 8.497 1.00 1.00 C ATOM 743 O GLN A 48 91.528 0.935 7.927 1.00 1.00 O ATOM 744 CB GLN A 48 91.663 -2.044 9.677 1.00 1.00 C ATOM 745 CG GLN A 48 90.442 -2.786 10.228 1.00 1.00 C ATOM 746 CD GLN A 48 90.258 -4.099 9.466 1.00 1.00 C ATOM 747 OE1 GLN A 48 90.888 -4.318 8.450 1.00 1.00 O ATOM 748 NE2 GLN A 48 89.416 -4.987 9.916 1.00 1.00 N ATOM 0 H GLN A 48 93.378 -1.800 7.882 1.00 1.00 H new ATOM 0 HA GLN A 48 90.491 -1.966 7.869 1.00 1.00 H new ATOM 0 HB2 GLN A 48 92.502 -2.732 9.573 1.00 1.00 H new ATOM 0 HB3 GLN A 48 91.973 -1.266 10.375 1.00 1.00 H new ATOM 0 HG2 GLN A 48 90.573 -2.985 11.291 1.00 1.00 H new ATOM 0 HG3 GLN A 48 89.551 -2.167 10.128 1.00 1.00 H new ATOM 0 HE21 GLN A 48 88.888 -4.803 10.769 1.00 1.00 H new ATOM 0 HE22 GLN A 48 89.286 -5.866 9.415 1.00 1.00 H new ATOM 757 N GLY A 49 89.921 0.307 9.286 1.00 1.00 N ATOM 758 CA GLY A 49 89.490 1.716 9.502 1.00 1.00 C ATOM 759 C GLY A 49 88.592 2.161 8.347 1.00 1.00 C ATOM 760 O GLY A 49 88.259 1.386 7.472 1.00 1.00 O ATOM 0 H GLY A 49 89.379 -0.395 9.790 1.00 1.00 H new ATOM 0 HA2 GLY A 49 88.953 1.802 10.447 1.00 1.00 H new ATOM 0 HA3 GLY A 49 90.362 2.367 9.570 1.00 1.00 H new ATOM 764 N CYS A 50 88.197 3.404 8.340 1.00 1.00 N ATOM 765 CA CYS A 50 87.318 3.903 7.245 1.00 1.00 C ATOM 766 C CYS A 50 87.577 5.395 7.029 1.00 1.00 C ATOM 767 O CYS A 50 87.569 5.883 5.915 1.00 1.00 O ATOM 768 CB CYS A 50 85.853 3.691 7.631 1.00 1.00 C ATOM 769 SG CYS A 50 85.591 1.953 8.072 1.00 1.00 S ATOM 0 H CYS A 50 88.445 4.097 9.046 1.00 1.00 H new ATOM 0 HA CYS A 50 87.534 3.358 6.326 1.00 1.00 H new ATOM 0 HB2 CYS A 50 85.590 4.334 8.471 1.00 1.00 H new ATOM 0 HB3 CYS A 50 85.203 3.969 6.801 1.00 1.00 H new ATOM 774 N GLY A 51 87.805 6.121 8.087 1.00 1.00 N ATOM 775 CA GLY A 51 88.064 7.581 7.951 1.00 1.00 C ATOM 776 C GLY A 51 88.401 8.165 9.322 1.00 1.00 C ATOM 777 O GLY A 51 89.552 8.365 9.656 1.00 1.00 O ATOM 0 H GLY A 51 87.823 5.765 9.043 1.00 1.00 H new ATOM 0 HA2 GLY A 51 88.887 7.753 7.258 1.00 1.00 H new ATOM 0 HA3 GLY A 51 87.188 8.080 7.536 1.00 1.00 H new ATOM 781 N ASP A 52 87.406 8.438 10.121 1.00 1.00 N ATOM 782 CA ASP A 52 87.669 9.009 11.471 1.00 1.00 C ATOM 783 C ASP A 52 86.474 8.731 12.387 1.00 1.00 C ATOM 784 O ASP A 52 86.566 8.847 13.593 1.00 1.00 O ATOM 785 CB ASP A 52 87.879 10.521 11.349 1.00 1.00 C ATOM 786 CG ASP A 52 88.966 10.806 10.311 1.00 1.00 C ATOM 787 OD1 ASP A 52 90.131 10.680 10.651 1.00 1.00 O ATOM 788 OD2 ASP A 52 88.615 11.143 9.192 1.00 1.00 O ATOM 0 H ASP A 52 86.422 8.290 9.897 1.00 1.00 H new ATOM 0 HA ASP A 52 88.562 8.549 11.894 1.00 1.00 H new ATOM 0 HB2 ASP A 52 86.947 11.005 11.057 1.00 1.00 H new ATOM 0 HB3 ASP A 52 88.166 10.938 12.315 1.00 1.00 H new ATOM 793 N ASP A 53 85.352 8.367 11.826 1.00 1.00 N ATOM 794 CA ASP A 53 84.154 8.084 12.668 1.00 1.00 C ATOM 795 C ASP A 53 83.067 7.430 11.811 1.00 1.00 C ATOM 796 O ASP A 53 83.300 6.438 11.149 1.00 1.00 O ATOM 797 CB ASP A 53 83.623 9.394 13.252 1.00 1.00 C ATOM 798 CG ASP A 53 83.218 10.331 12.112 1.00 1.00 C ATOM 799 OD1 ASP A 53 83.833 10.253 11.061 1.00 1.00 O ATOM 800 OD2 ASP A 53 82.299 11.109 12.309 1.00 1.00 O ATOM 0 H ASP A 53 85.213 8.253 10.822 1.00 1.00 H new ATOM 0 HA ASP A 53 84.431 7.409 13.478 1.00 1.00 H new ATOM 0 HB2 ASP A 53 82.767 9.197 13.897 1.00 1.00 H new ATOM 0 HB3 ASP A 53 84.387 9.865 13.871 1.00 1.00 H new ATOM 805 N ILE A 54 81.879 7.977 11.815 1.00 1.00 N ATOM 806 CA ILE A 54 80.783 7.383 10.995 1.00 1.00 C ATOM 807 C ILE A 54 79.793 8.481 10.588 1.00 1.00 C ATOM 808 O ILE A 54 78.727 8.612 11.155 1.00 1.00 O ATOM 809 CB ILE A 54 80.061 6.311 11.821 1.00 1.00 C ATOM 810 CG1 ILE A 54 78.932 5.694 10.986 1.00 1.00 C ATOM 811 CG2 ILE A 54 79.476 6.935 13.098 1.00 1.00 C ATOM 812 CD1 ILE A 54 78.518 4.354 11.599 1.00 1.00 C ATOM 0 H ILE A 54 81.621 8.807 12.349 1.00 1.00 H new ATOM 0 HA ILE A 54 81.200 6.929 10.096 1.00 1.00 H new ATOM 0 HB ILE A 54 80.774 5.535 12.099 1.00 1.00 H new ATOM 0 HG12 ILE A 54 78.078 6.370 10.953 1.00 1.00 H new ATOM 0 HG13 ILE A 54 79.263 5.549 9.958 1.00 1.00 H new ATOM 0 HG21 ILE A 54 78.965 6.166 13.678 1.00 1.00 H new ATOM 0 HG22 ILE A 54 80.281 7.365 13.695 1.00 1.00 H new ATOM 0 HG23 ILE A 54 78.766 7.717 12.829 1.00 1.00 H new ATOM 0 HD11 ILE A 54 77.716 3.915 11.006 1.00 1.00 H new ATOM 0 HD12 ILE A 54 79.373 3.679 11.609 1.00 1.00 H new ATOM 0 HD13 ILE A 54 78.170 4.513 12.620 1.00 1.00 H new ATOM 824 N PRO A 55 80.148 9.258 9.600 1.00 1.00 N ATOM 825 CA PRO A 55 79.297 10.360 9.082 1.00 1.00 C ATOM 826 C PRO A 55 78.378 9.904 7.941 1.00 1.00 C ATOM 827 O PRO A 55 78.436 10.419 6.843 1.00 1.00 O ATOM 828 CB PRO A 55 80.334 11.356 8.567 1.00 1.00 C ATOM 829 CG PRO A 55 81.479 10.512 8.090 1.00 1.00 C ATOM 830 CD PRO A 55 81.418 9.183 8.864 1.00 1.00 C ATOM 0 HA PRO A 55 78.622 10.760 9.839 1.00 1.00 H new ATOM 0 HB2 PRO A 55 79.929 11.965 7.759 1.00 1.00 H new ATOM 0 HB3 PRO A 55 80.649 12.040 9.355 1.00 1.00 H new ATOM 0 HG2 PRO A 55 81.406 10.336 7.017 1.00 1.00 H new ATOM 0 HG3 PRO A 55 82.429 11.017 8.266 1.00 1.00 H new ATOM 0 HD2 PRO A 55 81.438 8.327 8.189 1.00 1.00 H new ATOM 0 HD3 PRO A 55 82.266 9.076 9.541 1.00 1.00 H new ATOM 838 N GLY A 56 77.534 8.941 8.188 1.00 1.00 N ATOM 839 CA GLY A 56 76.622 8.461 7.109 1.00 1.00 C ATOM 840 C GLY A 56 75.378 7.824 7.728 1.00 1.00 C ATOM 841 O GLY A 56 74.391 7.592 7.058 1.00 1.00 O ATOM 0 H GLY A 56 77.435 8.467 9.086 1.00 1.00 H new ATOM 0 HA2 GLY A 56 76.334 9.293 6.466 1.00 1.00 H new ATOM 0 HA3 GLY A 56 77.138 7.736 6.480 1.00 1.00 H new ATOM 845 N MET A 57 75.413 7.538 9.000 1.00 1.00 N ATOM 846 CA MET A 57 74.227 6.915 9.651 1.00 1.00 C ATOM 847 C MET A 57 73.742 5.738 8.800 1.00 1.00 C ATOM 848 O MET A 57 74.451 4.772 8.598 1.00 1.00 O ATOM 849 CB MET A 57 73.109 7.954 9.773 1.00 1.00 C ATOM 850 CG MET A 57 73.635 9.187 10.511 1.00 1.00 C ATOM 851 SD MET A 57 72.317 10.423 10.636 1.00 1.00 S ATOM 852 CE MET A 57 72.754 11.375 9.160 1.00 1.00 C ATOM 0 H MET A 57 76.209 7.708 9.615 1.00 1.00 H new ATOM 0 HA MET A 57 74.500 6.558 10.644 1.00 1.00 H new ATOM 0 HB2 MET A 57 72.750 8.235 8.783 1.00 1.00 H new ATOM 0 HB3 MET A 57 72.261 7.530 10.311 1.00 1.00 H new ATOM 0 HG2 MET A 57 73.982 8.908 11.506 1.00 1.00 H new ATOM 0 HG3 MET A 57 74.491 9.604 9.980 1.00 1.00 H new ATOM 0 HE1 MET A 57 72.056 12.204 9.042 1.00 1.00 H new ATOM 0 HE2 MET A 57 73.766 11.765 9.265 1.00 1.00 H new ATOM 0 HE3 MET A 57 72.703 10.730 8.283 1.00 1.00 H new ATOM 862 N GLU A 58 72.540 5.814 8.297 1.00 1.00 N ATOM 863 CA GLU A 58 72.007 4.703 7.456 1.00 1.00 C ATOM 864 C GLU A 58 70.655 5.118 6.873 1.00 1.00 C ATOM 865 O GLU A 58 69.740 4.325 6.772 1.00 1.00 O ATOM 866 CB GLU A 58 71.835 3.442 8.312 1.00 1.00 C ATOM 867 CG GLU A 58 70.870 3.717 9.473 1.00 1.00 C ATOM 868 CD GLU A 58 71.478 4.757 10.417 1.00 1.00 C ATOM 869 OE1 GLU A 58 72.607 4.562 10.834 1.00 1.00 O ATOM 870 OE2 GLU A 58 70.802 5.731 10.707 1.00 1.00 O ATOM 0 H GLU A 58 71.903 6.599 8.432 1.00 1.00 H new ATOM 0 HA GLU A 58 72.705 4.491 6.646 1.00 1.00 H new ATOM 0 HB2 GLU A 58 71.454 2.626 7.698 1.00 1.00 H new ATOM 0 HB3 GLU A 58 72.802 3.123 8.701 1.00 1.00 H new ATOM 0 HG2 GLU A 58 69.916 4.076 9.088 1.00 1.00 H new ATOM 0 HG3 GLU A 58 70.667 2.794 10.016 1.00 1.00 H new ATOM 877 N GLY A 59 70.518 6.362 6.500 1.00 1.00 N ATOM 878 CA GLY A 59 69.222 6.837 5.937 1.00 1.00 C ATOM 879 C GLY A 59 69.158 6.556 4.434 1.00 1.00 C ATOM 880 O GLY A 59 68.421 5.701 3.986 1.00 1.00 O ATOM 0 H GLY A 59 71.249 7.071 6.561 1.00 1.00 H new ATOM 0 HA2 GLY A 59 68.394 6.339 6.442 1.00 1.00 H new ATOM 0 HA3 GLY A 59 69.109 7.906 6.119 1.00 1.00 H new ATOM 884 N CYS A 60 69.909 7.281 3.649 1.00 1.00 N ATOM 885 CA CYS A 60 69.867 7.064 2.175 1.00 1.00 C ATOM 886 C CYS A 60 68.407 7.004 1.717 1.00 1.00 C ATOM 887 O CYS A 60 67.792 8.016 1.448 1.00 1.00 O ATOM 888 CB CYS A 60 70.568 5.749 1.824 1.00 1.00 C ATOM 889 SG CYS A 60 70.182 5.309 0.109 1.00 1.00 S ATOM 0 H CYS A 60 70.547 8.012 3.964 1.00 1.00 H new ATOM 0 HA CYS A 60 70.377 7.886 1.672 1.00 1.00 H new ATOM 0 HB2 CYS A 60 71.646 5.852 1.952 1.00 1.00 H new ATOM 0 HB3 CYS A 60 70.241 4.957 2.498 1.00 1.00 H new ATOM 0 HG CYS A 60 71.275 5.304 -0.594 1.00 1.00 H new ATOM 894 N GLY A 61 67.844 5.825 1.641 1.00 1.00 N ATOM 895 CA GLY A 61 66.416 5.699 1.216 1.00 1.00 C ATOM 896 C GLY A 61 66.316 4.880 -0.073 1.00 1.00 C ATOM 897 O GLY A 61 65.506 3.982 -0.184 1.00 1.00 O ATOM 0 H GLY A 61 68.311 4.944 1.855 1.00 1.00 H new ATOM 0 HA2 GLY A 61 65.836 5.221 2.005 1.00 1.00 H new ATOM 0 HA3 GLY A 61 65.987 6.689 1.060 1.00 1.00 H new ATOM 901 N THR A 62 67.120 5.189 -1.053 1.00 1.00 N ATOM 902 CA THR A 62 67.052 4.432 -2.337 1.00 1.00 C ATOM 903 C THR A 62 67.941 3.187 -2.267 1.00 1.00 C ATOM 904 O THR A 62 69.067 3.193 -2.721 1.00 1.00 O ATOM 905 CB THR A 62 67.526 5.331 -3.481 1.00 1.00 C ATOM 906 OG1 THR A 62 68.942 5.440 -3.440 1.00 1.00 O ATOM 907 CG2 THR A 62 66.901 6.719 -3.335 1.00 1.00 C ATOM 0 H THR A 62 67.820 5.931 -1.022 1.00 1.00 H new ATOM 0 HA THR A 62 66.022 4.122 -2.512 1.00 1.00 H new ATOM 0 HB THR A 62 67.222 4.897 -4.434 1.00 1.00 H new ATOM 0 HG1 THR A 62 69.344 4.586 -3.703 1.00 1.00 H new ATOM 0 HG21 THR A 62 67.240 7.358 -4.150 1.00 1.00 H new ATOM 0 HG22 THR A 62 65.815 6.634 -3.367 1.00 1.00 H new ATOM 0 HG23 THR A 62 67.203 7.155 -2.383 1.00 1.00 H new ATOM 915 N ASP A 63 67.438 2.114 -1.719 1.00 1.00 N ATOM 916 CA ASP A 63 68.253 0.868 -1.642 1.00 1.00 C ATOM 917 C ASP A 63 68.413 0.297 -3.053 1.00 1.00 C ATOM 918 O ASP A 63 69.144 -0.647 -3.278 1.00 1.00 O ATOM 919 CB ASP A 63 67.543 -0.156 -0.753 1.00 1.00 C ATOM 920 CG ASP A 63 66.051 -0.176 -1.090 1.00 1.00 C ATOM 921 OD1 ASP A 63 65.437 0.877 -1.039 1.00 1.00 O ATOM 922 OD2 ASP A 63 65.546 -1.245 -1.395 1.00 1.00 O ATOM 0 H ASP A 63 66.501 2.046 -1.322 1.00 1.00 H new ATOM 0 HA ASP A 63 69.232 1.091 -1.218 1.00 1.00 H new ATOM 0 HB2 ASP A 63 67.974 -1.146 -0.904 1.00 1.00 H new ATOM 0 HB3 ASP A 63 67.686 0.097 0.297 1.00 1.00 H new ATOM 927 N ILE A 64 67.728 0.873 -4.002 1.00 1.00 N ATOM 928 CA ILE A 64 67.822 0.387 -5.407 1.00 1.00 C ATOM 929 C ILE A 64 67.003 1.318 -6.302 1.00 1.00 C ATOM 930 O ILE A 64 65.960 0.958 -6.807 1.00 1.00 O ATOM 931 CB ILE A 64 67.274 -1.043 -5.494 1.00 1.00 C ATOM 932 CG1 ILE A 64 67.065 -1.443 -6.965 1.00 1.00 C ATOM 933 CG2 ILE A 64 65.941 -1.124 -4.745 1.00 1.00 C ATOM 934 CD1 ILE A 64 67.247 -2.956 -7.118 1.00 1.00 C ATOM 0 H ILE A 64 67.102 1.666 -3.863 1.00 1.00 H new ATOM 0 HA ILE A 64 68.862 0.384 -5.735 1.00 1.00 H new ATOM 0 HB ILE A 64 67.991 -1.727 -5.041 1.00 1.00 H new ATOM 0 HG12 ILE A 64 66.067 -1.152 -7.293 1.00 1.00 H new ATOM 0 HG13 ILE A 64 67.776 -0.915 -7.600 1.00 1.00 H new ATOM 0 HG21 ILE A 64 65.550 -2.140 -4.806 1.00 1.00 H new ATOM 0 HG22 ILE A 64 66.094 -0.856 -3.700 1.00 1.00 H new ATOM 0 HG23 ILE A 64 65.228 -0.433 -5.195 1.00 1.00 H new ATOM 0 HD11 ILE A 64 67.098 -3.237 -8.161 1.00 1.00 H new ATOM 0 HD12 ILE A 64 68.254 -3.235 -6.807 1.00 1.00 H new ATOM 0 HD13 ILE A 64 66.518 -3.475 -6.495 1.00 1.00 H new ATOM 946 N THR A 65 67.465 2.522 -6.497 1.00 1.00 N ATOM 947 CA THR A 65 66.707 3.475 -7.356 1.00 1.00 C ATOM 948 C THR A 65 66.263 2.751 -8.626 1.00 1.00 C ATOM 949 O THR A 65 65.295 3.117 -9.262 1.00 1.00 O ATOM 950 CB THR A 65 67.602 4.662 -7.724 1.00 1.00 C ATOM 951 OG1 THR A 65 68.176 5.205 -6.544 1.00 1.00 O ATOM 952 CG2 THR A 65 66.768 5.734 -8.427 1.00 1.00 C ATOM 0 H THR A 65 68.331 2.886 -6.101 1.00 1.00 H new ATOM 0 HA THR A 65 65.834 3.843 -6.817 1.00 1.00 H new ATOM 0 HB THR A 65 68.395 4.325 -8.392 1.00 1.00 H new ATOM 0 HG1 THR A 65 68.750 5.964 -6.779 1.00 1.00 H new ATOM 0 HG21 THR A 65 67.406 6.578 -8.688 1.00 1.00 H new ATOM 0 HG22 THR A 65 66.329 5.317 -9.333 1.00 1.00 H new ATOM 0 HG23 THR A 65 65.974 6.072 -7.761 1.00 1.00 H new ATOM 960 N VAL A 66 66.967 1.715 -8.988 1.00 1.00 N ATOM 961 CA VAL A 66 66.604 0.940 -10.206 1.00 1.00 C ATOM 962 C VAL A 66 67.219 -0.457 -10.089 1.00 1.00 C ATOM 963 O VAL A 66 66.536 -1.430 -9.838 1.00 1.00 O ATOM 964 CB VAL A 66 67.155 1.645 -11.458 1.00 1.00 C ATOM 965 CG1 VAL A 66 66.034 2.416 -12.164 1.00 1.00 C ATOM 966 CG2 VAL A 66 68.260 2.624 -11.050 1.00 1.00 C ATOM 0 H VAL A 66 67.786 1.369 -8.487 1.00 1.00 H new ATOM 0 HA VAL A 66 65.520 0.869 -10.294 1.00 1.00 H new ATOM 0 HB VAL A 66 67.559 0.894 -12.138 1.00 1.00 H new ATOM 0 HG11 VAL A 66 66.434 2.911 -13.049 1.00 1.00 H new ATOM 0 HG12 VAL A 66 65.247 1.723 -12.461 1.00 1.00 H new ATOM 0 HG13 VAL A 66 65.623 3.163 -11.485 1.00 1.00 H new ATOM 0 HG21 VAL A 66 68.650 3.123 -11.937 1.00 1.00 H new ATOM 0 HG22 VAL A 66 67.853 3.368 -10.365 1.00 1.00 H new ATOM 0 HG23 VAL A 66 69.065 2.079 -10.557 1.00 1.00 H new ATOM 976 N ILE A 67 68.510 -0.555 -10.262 1.00 1.00 N ATOM 977 CA ILE A 67 69.192 -1.876 -10.155 1.00 1.00 C ATOM 978 C ILE A 67 70.475 -1.708 -9.338 1.00 1.00 C ATOM 979 O ILE A 67 71.523 -1.402 -9.871 1.00 1.00 O ATOM 980 CB ILE A 67 69.535 -2.388 -11.557 1.00 1.00 C ATOM 981 CG1 ILE A 67 68.244 -2.774 -12.285 1.00 1.00 C ATOM 982 CG2 ILE A 67 70.445 -3.614 -11.450 1.00 1.00 C ATOM 983 CD1 ILE A 67 68.536 -2.962 -13.774 1.00 1.00 C ATOM 0 H ILE A 67 69.125 0.230 -10.475 1.00 1.00 H new ATOM 0 HA ILE A 67 68.536 -2.594 -9.663 1.00 1.00 H new ATOM 0 HB ILE A 67 70.050 -1.605 -12.113 1.00 1.00 H new ATOM 0 HG12 ILE A 67 67.837 -3.694 -11.864 1.00 1.00 H new ATOM 0 HG13 ILE A 67 67.490 -1.999 -12.146 1.00 1.00 H new ATOM 0 HG21 ILE A 67 70.687 -3.976 -12.449 1.00 1.00 H new ATOM 0 HG22 ILE A 67 71.364 -3.341 -10.930 1.00 1.00 H new ATOM 0 HG23 ILE A 67 69.933 -4.400 -10.894 1.00 1.00 H new ATOM 0 HD11 ILE A 67 67.618 -3.237 -14.293 1.00 1.00 H new ATOM 0 HD12 ILE A 67 68.923 -2.031 -14.189 1.00 1.00 H new ATOM 0 HD13 ILE A 67 69.276 -3.752 -13.903 1.00 1.00 H new ATOM 995 N CYS A 68 70.406 -1.899 -8.049 1.00 1.00 N ATOM 996 CA CYS A 68 71.628 -1.741 -7.213 1.00 1.00 C ATOM 997 C CYS A 68 72.631 -2.847 -7.566 1.00 1.00 C ATOM 998 O CYS A 68 72.265 -3.996 -7.714 1.00 1.00 O ATOM 999 CB CYS A 68 71.249 -1.842 -5.730 1.00 1.00 C ATOM 1000 SG CYS A 68 71.535 -0.246 -4.917 1.00 1.00 S ATOM 0 H CYS A 68 69.560 -2.157 -7.541 1.00 1.00 H new ATOM 0 HA CYS A 68 72.079 -0.767 -7.404 1.00 1.00 H new ATOM 0 HB2 CYS A 68 70.202 -2.129 -5.631 1.00 1.00 H new ATOM 0 HB3 CYS A 68 71.840 -2.619 -5.246 1.00 1.00 H new ATOM 0 HG CYS A 68 70.691 -0.099 -3.940 1.00 1.00 H new ATOM 1005 N PRO A 69 73.892 -2.510 -7.701 1.00 1.00 N ATOM 1006 CA PRO A 69 74.952 -3.498 -8.041 1.00 1.00 C ATOM 1007 C PRO A 69 74.764 -4.833 -7.312 1.00 1.00 C ATOM 1008 O PRO A 69 75.313 -5.845 -7.700 1.00 1.00 O ATOM 1009 CB PRO A 69 76.238 -2.812 -7.578 1.00 1.00 C ATOM 1010 CG PRO A 69 75.966 -1.344 -7.683 1.00 1.00 C ATOM 1011 CD PRO A 69 74.449 -1.153 -7.547 1.00 1.00 C ATOM 0 HA PRO A 69 74.946 -3.752 -9.101 1.00 1.00 H new ATOM 0 HB2 PRO A 69 76.487 -3.093 -6.555 1.00 1.00 H new ATOM 0 HB3 PRO A 69 77.084 -3.100 -8.202 1.00 1.00 H new ATOM 0 HG2 PRO A 69 76.494 -0.798 -6.901 1.00 1.00 H new ATOM 0 HG3 PRO A 69 76.319 -0.955 -8.638 1.00 1.00 H new ATOM 0 HD2 PRO A 69 74.188 -0.724 -6.580 1.00 1.00 H new ATOM 0 HD3 PRO A 69 74.064 -0.477 -8.310 1.00 1.00 H new ATOM 1019 N TRP A 70 73.996 -4.845 -6.256 1.00 1.00 N ATOM 1020 CA TRP A 70 73.782 -6.116 -5.507 1.00 1.00 C ATOM 1021 C TRP A 70 73.144 -7.157 -6.430 1.00 1.00 C ATOM 1022 O TRP A 70 72.850 -8.263 -6.020 1.00 1.00 O ATOM 1023 CB TRP A 70 72.860 -5.862 -4.312 1.00 1.00 C ATOM 1024 CG TRP A 70 72.688 -7.133 -3.544 1.00 1.00 C ATOM 1025 CD1 TRP A 70 73.698 -7.870 -3.027 1.00 1.00 C ATOM 1026 CD2 TRP A 70 71.456 -7.830 -3.199 1.00 1.00 C ATOM 1027 NE1 TRP A 70 73.165 -8.974 -2.386 1.00 1.00 N ATOM 1028 CE2 TRP A 70 71.786 -8.993 -2.464 1.00 1.00 C ATOM 1029 CE3 TRP A 70 70.097 -7.567 -3.449 1.00 1.00 C ATOM 1030 CZ2 TRP A 70 70.803 -9.866 -1.996 1.00 1.00 C ATOM 1031 CZ3 TRP A 70 69.105 -8.443 -2.979 1.00 1.00 C ATOM 1032 CH2 TRP A 70 69.458 -9.590 -2.253 1.00 1.00 C ATOM 0 H TRP A 70 73.509 -4.031 -5.880 1.00 1.00 H new ATOM 0 HA TRP A 70 74.743 -6.487 -5.151 1.00 1.00 H new ATOM 0 HB2 TRP A 70 73.282 -5.089 -3.670 1.00 1.00 H new ATOM 0 HB3 TRP A 70 71.892 -5.497 -4.656 1.00 1.00 H new ATOM 0 HD1 TRP A 70 74.749 -7.635 -3.102 1.00 1.00 H new ATOM 0 HE1 TRP A 70 73.722 -9.686 -1.914 1.00 1.00 H new ATOM 0 HE3 TRP A 70 69.815 -6.686 -4.006 1.00 1.00 H new ATOM 0 HZ2 TRP A 70 71.080 -10.749 -1.439 1.00 1.00 H new ATOM 0 HZ3 TRP A 70 68.065 -8.232 -3.178 1.00 1.00 H new ATOM 0 HH2 TRP A 70 68.691 -10.259 -1.893 1.00 1.00 H new ATOM 1043 N GLU A 71 72.928 -6.813 -7.672 1.00 1.00 N ATOM 1044 CA GLU A 71 72.310 -7.782 -8.626 1.00 1.00 C ATOM 1045 C GLU A 71 73.139 -7.828 -9.911 1.00 1.00 C ATOM 1046 O GLU A 71 73.474 -8.885 -10.407 1.00 1.00 O ATOM 1047 CB GLU A 71 70.885 -7.331 -8.955 1.00 1.00 C ATOM 1048 CG GLU A 71 70.013 -7.439 -7.702 1.00 1.00 C ATOM 1049 CD GLU A 71 68.661 -6.773 -7.961 1.00 1.00 C ATOM 1050 OE1 GLU A 71 68.654 -5.691 -8.525 1.00 1.00 O ATOM 1051 OE2 GLU A 71 67.655 -7.356 -7.592 1.00 1.00 O ATOM 0 H GLU A 71 73.153 -5.901 -8.068 1.00 1.00 H new ATOM 0 HA GLU A 71 72.283 -8.774 -8.174 1.00 1.00 H new ATOM 0 HB2 GLU A 71 70.892 -6.303 -9.318 1.00 1.00 H new ATOM 0 HB3 GLU A 71 70.472 -7.948 -9.753 1.00 1.00 H new ATOM 0 HG2 GLU A 71 69.869 -8.486 -7.436 1.00 1.00 H new ATOM 0 HG3 GLU A 71 70.510 -6.961 -6.858 1.00 1.00 H new ATOM 1058 N ALA A 72 73.471 -6.690 -10.455 1.00 1.00 N ATOM 1059 CA ALA A 72 74.277 -6.671 -11.709 1.00 1.00 C ATOM 1060 C ALA A 72 75.668 -7.246 -11.433 1.00 1.00 C ATOM 1061 O ALA A 72 75.961 -8.376 -11.772 1.00 1.00 O ATOM 1062 CB ALA A 72 74.411 -5.230 -12.206 1.00 1.00 C ATOM 0 H ALA A 72 73.220 -5.773 -10.086 1.00 1.00 H new ATOM 0 HA ALA A 72 73.780 -7.274 -12.469 1.00 1.00 H new ATOM 0 HB1 ALA A 72 75.000 -5.215 -13.123 1.00 1.00 H new ATOM 0 HB2 ALA A 72 73.421 -4.820 -12.404 1.00 1.00 H new ATOM 0 HB3 ALA A 72 74.908 -4.628 -11.445 1.00 1.00 H new ATOM 1068 N CYS A 73 76.529 -6.478 -10.824 1.00 1.00 N ATOM 1069 CA CYS A 73 77.901 -6.981 -10.532 1.00 1.00 C ATOM 1070 C CYS A 73 77.850 -7.947 -9.345 1.00 1.00 C ATOM 1071 O CYS A 73 78.683 -7.904 -8.461 1.00 1.00 O ATOM 1072 CB CYS A 73 78.816 -5.799 -10.195 1.00 1.00 C ATOM 1073 SG CYS A 73 80.500 -6.159 -10.762 1.00 1.00 S ATOM 0 H CYS A 73 76.342 -5.524 -10.516 1.00 1.00 H new ATOM 0 HA CYS A 73 78.291 -7.504 -11.405 1.00 1.00 H new ATOM 0 HB2 CYS A 73 78.446 -4.891 -10.672 1.00 1.00 H new ATOM 0 HB3 CYS A 73 78.813 -5.618 -9.120 1.00 1.00 H new ATOM 1078 N ASN A 74 76.878 -8.817 -9.316 1.00 1.00 N ATOM 1079 CA ASN A 74 76.775 -9.783 -8.185 1.00 1.00 C ATOM 1080 C ASN A 74 77.737 -10.952 -8.417 1.00 1.00 C ATOM 1081 O ASN A 74 77.679 -11.958 -7.739 1.00 1.00 O ATOM 1082 CB ASN A 74 75.343 -10.313 -8.097 1.00 1.00 C ATOM 1083 CG ASN A 74 75.179 -11.135 -6.818 1.00 1.00 C ATOM 1084 OD1 ASN A 74 75.278 -12.346 -6.844 1.00 1.00 O ATOM 1085 ND2 ASN A 74 74.930 -10.525 -5.692 1.00 1.00 N ATOM 0 H ASN A 74 76.151 -8.901 -10.026 1.00 1.00 H new ATOM 0 HA ASN A 74 77.036 -9.279 -7.254 1.00 1.00 H new ATOM 0 HB2 ASN A 74 74.636 -9.483 -8.101 1.00 1.00 H new ATOM 0 HB3 ASN A 74 75.118 -10.928 -8.968 1.00 1.00 H new ATOM 0 HD21 ASN A 74 74.818 -11.064 -4.834 1.00 1.00 H new ATOM 0 HD22 ASN A 74 74.847 -9.509 -5.670 1.00 1.00 H new ATOM 1092 N HIS A 75 78.621 -10.828 -9.370 1.00 1.00 N ATOM 1093 CA HIS A 75 79.583 -11.934 -9.644 1.00 1.00 C ATOM 1094 C HIS A 75 80.762 -11.839 -8.671 1.00 1.00 C ATOM 1095 O HIS A 75 81.433 -12.814 -8.397 1.00 1.00 O ATOM 1096 CB HIS A 75 80.098 -11.816 -11.083 1.00 1.00 C ATOM 1097 CG HIS A 75 79.116 -12.455 -12.028 1.00 1.00 C ATOM 1098 ND1 HIS A 75 78.800 -13.805 -11.963 1.00 1.00 N ATOM 1099 CD2 HIS A 75 78.375 -11.945 -13.066 1.00 1.00 C ATOM 1100 CE1 HIS A 75 77.905 -14.059 -12.936 1.00 1.00 C ATOM 1101 NE2 HIS A 75 77.614 -12.961 -13.634 1.00 1.00 N ATOM 0 H HIS A 75 78.719 -10.009 -9.970 1.00 1.00 H new ATOM 0 HA HIS A 75 79.081 -12.893 -9.514 1.00 1.00 H new ATOM 0 HB2 HIS A 75 80.239 -10.767 -11.344 1.00 1.00 H new ATOM 0 HB3 HIS A 75 81.071 -12.300 -11.172 1.00 1.00 H new ATOM 0 HD2 HIS A 75 78.382 -10.915 -13.391 1.00 1.00 H new ATOM 0 HE1 HIS A 75 77.476 -15.031 -13.127 1.00 1.00 H new ATOM 0 HE2 HIS A 75 76.969 -12.883 -14.420 1.00 1.00 H new ATOM 1110 N CYS A 76 81.023 -10.671 -8.153 1.00 1.00 N ATOM 1111 CA CYS A 76 82.163 -10.513 -7.205 1.00 1.00 C ATOM 1112 C CYS A 76 81.716 -10.903 -5.795 1.00 1.00 C ATOM 1113 O CYS A 76 82.426 -10.700 -4.830 1.00 1.00 O ATOM 1114 CB CYS A 76 82.626 -9.055 -7.207 1.00 1.00 C ATOM 1115 SG CYS A 76 81.196 -7.969 -6.966 1.00 1.00 S ATOM 0 H CYS A 76 80.497 -9.819 -8.345 1.00 1.00 H new ATOM 0 HA CYS A 76 82.985 -11.158 -7.515 1.00 1.00 H new ATOM 0 HB2 CYS A 76 83.357 -8.893 -6.415 1.00 1.00 H new ATOM 0 HB3 CYS A 76 83.120 -8.820 -8.150 1.00 1.00 H new ATOM 0 HG CYS A 76 80.413 -8.046 -8.001 1.00 1.00 H new ATOM 1120 N GLU A 77 80.545 -11.461 -5.667 1.00 1.00 N ATOM 1121 CA GLU A 77 80.056 -11.861 -4.317 1.00 1.00 C ATOM 1122 C GLU A 77 80.926 -13.000 -3.773 1.00 1.00 C ATOM 1123 O GLU A 77 82.094 -12.820 -3.493 1.00 1.00 O ATOM 1124 CB GLU A 77 78.600 -12.321 -4.424 1.00 1.00 C ATOM 1125 CG GLU A 77 77.990 -12.420 -3.024 1.00 1.00 C ATOM 1126 CD GLU A 77 76.521 -12.830 -3.135 1.00 1.00 C ATOM 1127 OE1 GLU A 77 76.202 -13.580 -4.043 1.00 1.00 O ATOM 1128 OE2 GLU A 77 75.739 -12.385 -2.311 1.00 1.00 O ATOM 0 H GLU A 77 79.906 -11.657 -6.437 1.00 1.00 H new ATOM 0 HA GLU A 77 80.117 -11.012 -3.637 1.00 1.00 H new ATOM 0 HB2 GLU A 77 78.030 -11.618 -5.032 1.00 1.00 H new ATOM 0 HB3 GLU A 77 78.549 -13.289 -4.923 1.00 1.00 H new ATOM 0 HG2 GLU A 77 78.538 -13.150 -2.428 1.00 1.00 H new ATOM 0 HG3 GLU A 77 78.073 -11.462 -2.511 1.00 1.00 H new ATOM 1135 N LEU A 78 80.368 -14.170 -3.619 1.00 1.00 N ATOM 1136 CA LEU A 78 81.165 -15.315 -3.093 1.00 1.00 C ATOM 1137 C LEU A 78 81.850 -14.909 -1.785 1.00 1.00 C ATOM 1138 O LEU A 78 81.244 -14.911 -0.732 1.00 1.00 O ATOM 1139 CB LEU A 78 82.221 -15.724 -4.129 1.00 1.00 C ATOM 1140 CG LEU A 78 81.610 -16.721 -5.124 1.00 1.00 C ATOM 1141 CD1 LEU A 78 82.345 -16.630 -6.462 1.00 1.00 C ATOM 1142 CD2 LEU A 78 81.737 -18.147 -4.574 1.00 1.00 C ATOM 0 H LEU A 78 79.394 -14.383 -3.835 1.00 1.00 H new ATOM 0 HA LEU A 78 80.503 -16.160 -2.902 1.00 1.00 H new ATOM 0 HB2 LEU A 78 82.585 -14.844 -4.659 1.00 1.00 H new ATOM 0 HB3 LEU A 78 83.079 -16.173 -3.630 1.00 1.00 H new ATOM 0 HG LEU A 78 80.557 -16.479 -5.268 1.00 1.00 H new ATOM 0 HD11 LEU A 78 81.909 -17.339 -7.166 1.00 1.00 H new ATOM 0 HD12 LEU A 78 82.252 -15.620 -6.860 1.00 1.00 H new ATOM 0 HD13 LEU A 78 83.399 -16.867 -6.315 1.00 1.00 H new ATOM 0 HD21 LEU A 78 81.302 -18.851 -5.284 1.00 1.00 H new ATOM 0 HD22 LEU A 78 82.790 -18.387 -4.424 1.00 1.00 H new ATOM 0 HD23 LEU A 78 81.210 -18.218 -3.623 1.00 1.00 H new ATOM 1154 N HIS A 79 83.108 -14.563 -1.842 1.00 1.00 N ATOM 1155 CA HIS A 79 83.827 -14.162 -0.597 1.00 1.00 C ATOM 1156 C HIS A 79 85.313 -13.962 -0.905 1.00 1.00 C ATOM 1157 O HIS A 79 86.174 -14.506 -0.242 1.00 1.00 O ATOM 1158 CB HIS A 79 83.663 -15.256 0.465 1.00 1.00 C ATOM 1159 CG HIS A 79 83.656 -16.604 -0.201 1.00 1.00 C ATOM 1160 ND1 HIS A 79 84.536 -16.928 -1.223 1.00 1.00 N ATOM 1161 CD2 HIS A 79 82.883 -17.722 -0.002 1.00 1.00 C ATOM 1162 CE1 HIS A 79 84.275 -18.195 -1.598 1.00 1.00 C ATOM 1163 NE2 HIS A 79 83.277 -18.721 -0.885 1.00 1.00 N ATOM 0 H HIS A 79 83.668 -14.540 -2.694 1.00 1.00 H new ATOM 0 HA HIS A 79 83.408 -13.229 -0.221 1.00 1.00 H new ATOM 0 HB2 HIS A 79 84.476 -15.200 1.189 1.00 1.00 H new ATOM 0 HB3 HIS A 79 82.735 -15.106 1.017 1.00 1.00 H new ATOM 0 HD2 HIS A 79 82.092 -17.811 0.728 1.00 1.00 H new ATOM 0 HE1 HIS A 79 84.807 -18.720 -2.378 1.00 1.00 H new ATOM 0 HE2 HIS A 79 82.885 -19.659 -0.970 1.00 1.00 H new ATOM 1172 N GLU A 80 85.624 -13.177 -1.899 1.00 1.00 N ATOM 1173 CA GLU A 80 87.056 -12.938 -2.235 1.00 1.00 C ATOM 1174 C GLU A 80 87.649 -11.967 -1.211 1.00 1.00 C ATOM 1175 O GLU A 80 88.231 -12.371 -0.224 1.00 1.00 O ATOM 1176 CB GLU A 80 87.163 -12.337 -3.645 1.00 1.00 C ATOM 1177 CG GLU A 80 87.545 -13.430 -4.648 1.00 1.00 C ATOM 1178 CD GLU A 80 89.039 -13.737 -4.524 1.00 1.00 C ATOM 1179 OE1 GLU A 80 89.596 -13.461 -3.474 1.00 1.00 O ATOM 1180 OE2 GLU A 80 89.601 -14.243 -5.482 1.00 1.00 O ATOM 0 H GLU A 80 84.951 -12.692 -2.492 1.00 1.00 H new ATOM 0 HA GLU A 80 87.604 -13.880 -2.210 1.00 1.00 H new ATOM 0 HB2 GLU A 80 86.213 -11.885 -3.930 1.00 1.00 H new ATOM 0 HB3 GLU A 80 87.910 -11.543 -3.656 1.00 1.00 H new ATOM 0 HG2 GLU A 80 86.961 -14.331 -4.460 1.00 1.00 H new ATOM 0 HG3 GLU A 80 87.313 -13.105 -5.662 1.00 1.00 H new ATOM 1187 N LEU A 81 87.502 -10.690 -1.434 1.00 1.00 N ATOM 1188 CA LEU A 81 88.052 -9.697 -0.470 1.00 1.00 C ATOM 1189 C LEU A 81 87.317 -9.826 0.866 1.00 1.00 C ATOM 1190 O LEU A 81 87.499 -9.030 1.767 1.00 1.00 O ATOM 1191 CB LEU A 81 87.872 -8.279 -1.036 1.00 1.00 C ATOM 1192 CG LEU A 81 86.410 -7.833 -0.904 1.00 1.00 C ATOM 1193 CD1 LEU A 81 86.238 -6.461 -1.559 1.00 1.00 C ATOM 1194 CD2 LEU A 81 85.498 -8.846 -1.602 1.00 1.00 C ATOM 0 H LEU A 81 87.025 -10.292 -2.243 1.00 1.00 H new ATOM 0 HA LEU A 81 89.114 -9.885 -0.314 1.00 1.00 H new ATOM 0 HB2 LEU A 81 88.521 -7.583 -0.504 1.00 1.00 H new ATOM 0 HB3 LEU A 81 88.172 -8.258 -2.084 1.00 1.00 H new ATOM 0 HG LEU A 81 86.143 -7.773 0.151 1.00 1.00 H new ATOM 0 HD11 LEU A 81 85.200 -6.141 -1.467 1.00 1.00 H new ATOM 0 HD12 LEU A 81 86.886 -5.738 -1.064 1.00 1.00 H new ATOM 0 HD13 LEU A 81 86.506 -6.525 -2.614 1.00 1.00 H new ATOM 0 HD21 LEU A 81 84.460 -8.527 -1.507 1.00 1.00 H new ATOM 0 HD22 LEU A 81 85.763 -8.908 -2.657 1.00 1.00 H new ATOM 0 HD23 LEU A 81 85.621 -9.825 -1.139 1.00 1.00 H new ATOM 1206 N ALA A 82 86.481 -10.820 0.997 1.00 1.00 N ATOM 1207 CA ALA A 82 85.722 -11.003 2.265 1.00 1.00 C ATOM 1208 C ALA A 82 86.674 -11.402 3.398 1.00 1.00 C ATOM 1209 O ALA A 82 86.283 -12.060 4.342 1.00 1.00 O ATOM 1210 CB ALA A 82 84.670 -12.098 2.070 1.00 1.00 C ATOM 0 H ALA A 82 86.291 -11.516 0.276 1.00 1.00 H new ATOM 0 HA ALA A 82 85.234 -10.065 2.529 1.00 1.00 H new ATOM 0 HB1 ALA A 82 84.112 -12.235 2.996 1.00 1.00 H new ATOM 0 HB2 ALA A 82 83.985 -11.807 1.273 1.00 1.00 H new ATOM 0 HB3 ALA A 82 85.163 -13.032 1.801 1.00 1.00 H new ATOM 1216 N GLN A 83 87.916 -11.003 3.319 1.00 1.00 N ATOM 1217 CA GLN A 83 88.883 -11.353 4.400 1.00 1.00 C ATOM 1218 C GLN A 83 88.236 -11.083 5.761 1.00 1.00 C ATOM 1219 O GLN A 83 88.517 -11.744 6.740 1.00 1.00 O ATOM 1220 CB GLN A 83 90.140 -10.490 4.258 1.00 1.00 C ATOM 1221 CG GLN A 83 90.830 -10.788 2.921 1.00 1.00 C ATOM 1222 CD GLN A 83 91.748 -12.002 3.077 1.00 1.00 C ATOM 1223 OE1 GLN A 83 91.536 -13.024 2.455 1.00 1.00 O ATOM 1224 NE2 GLN A 83 92.767 -11.933 3.890 1.00 1.00 N ATOM 0 H GLN A 83 88.302 -10.450 2.553 1.00 1.00 H new ATOM 0 HA GLN A 83 89.153 -12.406 4.322 1.00 1.00 H new ATOM 0 HB2 GLN A 83 89.875 -9.434 4.313 1.00 1.00 H new ATOM 0 HB3 GLN A 83 90.824 -10.690 5.083 1.00 1.00 H new ATOM 0 HG2 GLN A 83 90.084 -10.980 2.150 1.00 1.00 H new ATOM 0 HG3 GLN A 83 91.407 -9.922 2.597 1.00 1.00 H new ATOM 0 HE21 GLN A 83 92.945 -11.075 4.412 1.00 1.00 H new ATOM 0 HE22 GLN A 83 93.385 -12.737 4.003 1.00 1.00 H new ATOM 1233 N TYR A 84 87.367 -10.114 5.821 1.00 1.00 N ATOM 1234 CA TYR A 84 86.688 -9.785 7.106 1.00 1.00 C ATOM 1235 C TYR A 84 85.738 -8.609 6.868 1.00 1.00 C ATOM 1236 O TYR A 84 85.024 -8.184 7.753 1.00 1.00 O ATOM 1237 CB TYR A 84 87.733 -9.411 8.166 1.00 1.00 C ATOM 1238 CG TYR A 84 88.976 -8.875 7.490 1.00 1.00 C ATOM 1239 CD1 TYR A 84 88.888 -7.766 6.642 1.00 1.00 C ATOM 1240 CD2 TYR A 84 90.217 -9.488 7.715 1.00 1.00 C ATOM 1241 CE1 TYR A 84 90.039 -7.268 6.018 1.00 1.00 C ATOM 1242 CE2 TYR A 84 91.367 -8.989 7.090 1.00 1.00 C ATOM 1243 CZ TYR A 84 91.279 -7.880 6.242 1.00 1.00 C ATOM 1244 OH TYR A 84 92.414 -7.390 5.628 1.00 1.00 O ATOM 0 H TYR A 84 87.095 -9.531 5.029 1.00 1.00 H new ATOM 0 HA TYR A 84 86.126 -10.648 7.463 1.00 1.00 H new ATOM 0 HB2 TYR A 84 87.325 -8.662 8.845 1.00 1.00 H new ATOM 0 HB3 TYR A 84 87.983 -10.284 8.768 1.00 1.00 H new ATOM 0 HD1 TYR A 84 87.932 -7.294 6.468 1.00 1.00 H new ATOM 0 HD2 TYR A 84 90.286 -10.344 8.370 1.00 1.00 H new ATOM 0 HE1 TYR A 84 89.970 -6.412 5.364 1.00 1.00 H new ATOM 0 HE2 TYR A 84 92.323 -9.461 7.263 1.00 1.00 H new ATOM 0 HH TYR A 84 93.188 -7.930 5.892 1.00 1.00 H new ATOM 1254 N GLY A 85 85.724 -8.087 5.670 1.00 1.00 N ATOM 1255 CA GLY A 85 84.819 -6.944 5.358 1.00 1.00 C ATOM 1256 C GLY A 85 83.417 -7.476 5.060 1.00 1.00 C ATOM 1257 O GLY A 85 82.822 -7.153 4.051 1.00 1.00 O ATOM 0 H GLY A 85 86.303 -8.405 4.892 1.00 1.00 H new ATOM 0 HA2 GLY A 85 84.786 -6.251 6.199 1.00 1.00 H new ATOM 0 HA3 GLY A 85 85.199 -6.388 4.501 1.00 1.00 H new ATOM 1261 N ILE A 86 82.882 -8.290 5.930 1.00 1.00 N ATOM 1262 CA ILE A 86 81.515 -8.839 5.699 1.00 1.00 C ATOM 1263 C ILE A 86 80.501 -7.991 6.466 1.00 1.00 C ATOM 1264 O ILE A 86 80.786 -7.482 7.532 1.00 1.00 O ATOM 1265 CB ILE A 86 81.455 -10.285 6.192 1.00 1.00 C ATOM 1266 CG1 ILE A 86 80.040 -10.835 5.992 1.00 1.00 C ATOM 1267 CG2 ILE A 86 81.821 -10.335 7.676 1.00 1.00 C ATOM 1268 CD1 ILE A 86 80.047 -12.350 6.203 1.00 1.00 C ATOM 0 H ILE A 86 83.333 -8.599 6.791 1.00 1.00 H new ATOM 0 HA ILE A 86 81.282 -8.814 4.634 1.00 1.00 H new ATOM 0 HB ILE A 86 82.162 -10.891 5.626 1.00 1.00 H new ATOM 0 HG12 ILE A 86 79.352 -10.363 6.693 1.00 1.00 H new ATOM 0 HG13 ILE A 86 79.685 -10.598 4.989 1.00 1.00 H new ATOM 0 HG21 ILE A 86 81.778 -11.366 8.027 1.00 1.00 H new ATOM 0 HG22 ILE A 86 82.830 -9.946 7.815 1.00 1.00 H new ATOM 0 HG23 ILE A 86 81.117 -9.728 8.245 1.00 1.00 H new ATOM 0 HD11 ILE A 86 79.040 -12.742 6.061 1.00 1.00 H new ATOM 0 HD12 ILE A 86 80.722 -12.814 5.484 1.00 1.00 H new ATOM 0 HD13 ILE A 86 80.384 -12.575 7.215 1.00 1.00 H new ATOM 1280 N CYS A 87 79.321 -7.829 5.935 1.00 1.00 N ATOM 1281 CA CYS A 87 78.296 -7.007 6.638 1.00 1.00 C ATOM 1282 C CYS A 87 77.733 -7.798 7.821 1.00 1.00 C ATOM 1283 CB CYS A 87 77.165 -6.658 5.668 1.00 1.00 C ATOM 1284 SG CYS A 87 77.847 -6.396 4.012 1.00 1.00 S ATOM 0 H CYS A 87 79.022 -8.230 5.046 1.00 1.00 H new ATOM 0 HA CYS A 87 78.755 -6.088 7.002 1.00 1.00 H new ATOM 0 HB2 CYS A 87 76.429 -7.462 5.647 1.00 1.00 H new ATOM 0 HB3 CYS A 87 76.647 -5.760 6.005 1.00 1.00 H new TER 1289 CYS A 87 HETATM 1290 C1C RCY A 110 49.243 -14.268 -2.677 1.00 1.00 C HETATM 1291 O1G RCY A 110 53.597 -15.103 0.054 1.00 1.00 O HETATM 1292 O1H RCY A 110 54.893 -15.857 -4.312 1.00 1.00 O HETATM 1293 O1J RCY A 110 49.153 -14.364 -5.946 1.00 1.00 O HETATM 1294 C1L RCY A 110 54.767 -13.668 -1.462 1.00 1.00 C HETATM 1295 C1M RCY A 110 51.224 -16.829 -3.737 1.00 1.00 C HETATM 1296 C1P RCY A 110 53.689 -14.661 -1.108 1.00 1.00 C HETATM 1297 C1Q RCY A 110 54.553 -15.301 -3.248 1.00 1.00 C HETATM 1298 N1R RCY A 110 53.157 -15.425 -2.420 1.00 1.00 N HETATM 1299 C1S RCY A 110 55.590 -14.493 -2.465 1.00 1.00 C HETATM 1300 C1U RCY A 110 51.566 -15.556 -3.053 1.00 1.00 C HETATM 1301 C1V RCY A 110 50.943 -12.865 -3.904 1.00 1.00 C HETATM 1302 N1V RCY A 110 49.984 -15.039 -4.953 1.00 1.00 N HETATM 1303 C1W RCY A 110 50.532 -16.515 -5.083 1.00 1.00 C HETATM 1304 C1X RCY A 110 50.485 -14.389 -3.589 1.00 1.00 C HETATM 1305 C1Y RCY A 110 51.511 -16.490 -6.268 1.00 1.00 C HETATM 1306 C1Z RCY A 110 49.462 -17.644 -5.408 1.00 1.00 C HETATM 0 H1ZB RCY A 110 49.962 -18.610 -5.475 1.00 1.00 H new HETATM 0 H1ZA RCY A 110 48.714 -17.676 -4.615 1.00 1.00 H new HETATM 0 H1YB RCY A 110 52.268 -15.725 -6.098 1.00 1.00 H new HETATM 0 H1YA RCY A 110 51.993 -17.463 -6.362 1.00 1.00 H new HETATM 0 H1VB RCY A 110 50.132 -12.337 -4.405 1.00 1.00 H new HETATM 0 H1VA RCY A 110 51.184 -12.357 -2.970 1.00 1.00 H new HETATM 0 H1SA RCY A 110 56.171 -13.849 -3.125 1.00 1.00 H new HETATM 0 H1MA RCY A 110 52.126 -17.418 -3.907 1.00 1.00 H new HETATM 0 H1LA RCY A 110 54.363 -12.758 -1.906 1.00 1.00 H new HETATM 0 H1CB RCY A 110 48.718 -15.223 -2.648 1.00 1.00 H new HETATM 0 H1CA RCY A 110 49.557 -13.996 -1.669 1.00 1.00 H new HETATM 0 H1Z RCY A 110 48.975 -17.421 -6.357 1.00 1.00 H new HETATM 0 H1Y RCY A 110 50.967 -16.265 -7.185 1.00 1.00 H new HETATM 0 H1V RCY A 110 51.822 -12.875 -4.548 1.00 1.00 H new HETATM 0 H1U RCY A 110 51.432 -15.335 -1.994 1.00 1.00 H new HETATM 0 H1S RCY A 110 56.297 -15.146 -1.954 1.00 1.00 H new HETATM 0 H1M RCY A 110 50.566 -17.428 -3.108 1.00 1.00 H new HETATM 0 H1L RCY A 110 55.353 -13.366 -0.594 1.00 1.00 H new HETATM 0 H1C RCY A 110 48.577 -13.499 -3.069 1.00 1.00 H new HETATM 1309 C1C RCY A 121 68.907 6.380 14.289 1.00 1.00 C HETATM 1310 O1G RCY A 121 67.069 4.747 11.191 1.00 1.00 O HETATM 1311 O1H RCY A 121 68.813 0.854 12.774 1.00 1.00 O HETATM 1312 O1J RCY A 121 66.800 7.277 16.289 1.00 1.00 O HETATM 1313 C1L RCY A 121 66.184 2.524 10.987 1.00 1.00 C HETATM 1314 C1M RCY A 121 66.441 3.538 15.271 1.00 1.00 C HETATM 1315 C1P RCY A 121 66.978 3.612 11.654 1.00 1.00 C HETATM 1316 C1Q RCY A 121 67.821 1.592 12.581 1.00 1.00 C HETATM 1317 N1R RCY A 121 67.716 3.157 12.983 1.00 1.00 N HETATM 1318 C1S RCY A 121 66.901 1.254 11.348 1.00 1.00 C HETATM 1319 C1U RCY A 121 67.744 3.800 14.597 1.00 1.00 C HETATM 1320 C1V RCY A 121 69.347 5.022 16.242 1.00 1.00 C HETATM 1321 N1V RCY A 121 66.927 5.905 15.805 1.00 1.00 N HETATM 1322 C1W RCY A 121 65.791 4.843 15.820 1.00 1.00 C HETATM 1323 C1X RCY A 121 68.233 5.277 15.174 1.00 1.00 C HETATM 1324 C1Y RCY A 121 65.133 4.628 17.231 1.00 1.00 C HETATM 1325 C1Z RCY A 121 64.643 5.354 14.933 1.00 1.00 C HETATM 0 H1ZB RCY A 121 65.022 5.566 13.933 1.00 1.00 H new HETATM 0 H1ZA RCY A 121 63.864 4.594 14.872 1.00 1.00 H new HETATM 0 H1YB RCY A 121 64.356 3.867 17.158 1.00 1.00 H new HETATM 0 H1YA RCY A 121 65.893 4.303 17.941 1.00 1.00 H new HETATM 0 H1VB RCY A 121 70.256 4.683 15.745 1.00 1.00 H new HETATM 0 H1VA RCY A 121 69.551 5.946 16.782 1.00 1.00 H new HETATM 0 H1SA RCY A 121 66.191 0.466 11.599 1.00 1.00 H new HETATM 0 H1MA RCY A 121 65.758 3.062 14.567 1.00 1.00 H new HETATM 0 H1LA RCY A 121 65.153 2.512 11.341 1.00 1.00 H new HETATM 0 H1CB RCY A 121 69.831 5.990 13.862 1.00 1.00 H new HETATM 0 H1CA RCY A 121 68.228 6.667 13.486 1.00 1.00 H new HETATM 0 H1Z RCY A 121 64.228 6.265 15.364 1.00 1.00 H new HETATM 0 H1Y RCY A 121 64.693 5.564 17.574 1.00 1.00 H new HETATM 0 H1V RCY A 121 69.011 4.258 16.943 1.00 1.00 H new HETATM 0 H1U RCY A 121 68.672 3.264 14.798 1.00 1.00 H new HETATM 0 H1S RCY A 121 67.495 0.892 10.509 1.00 1.00 H new HETATM 0 H1M RCY A 121 66.593 2.836 16.091 1.00 1.00 H new HETATM 0 H1L RCY A 121 66.148 2.665 9.907 1.00 1.00 H new HETATM 0 H1C RCY A 121 69.132 7.252 14.903 1.00 1.00 H new HETATM 1328 C1C RCY A 130 71.536 15.148 -12.144 1.00 1.00 C HETATM 1329 O1G RCY A 130 75.697 11.857 -8.990 1.00 1.00 O HETATM 1330 O1H RCY A 130 71.707 12.600 -9.001 1.00 1.00 O HETATM 1331 O1J RCY A 130 73.466 16.932 -13.551 1.00 1.00 O HETATM 1332 C1L RCY A 130 74.157 10.122 -9.603 1.00 1.00 C HETATM 1333 C1M RCY A 130 75.188 13.690 -12.376 1.00 1.00 C HETATM 1334 C1P RCY A 130 74.784 11.531 -9.774 1.00 1.00 C HETATM 1335 C1Q RCY A 130 72.584 11.939 -9.555 1.00 1.00 C HETATM 1336 N1R RCY A 130 73.774 12.598 -10.379 1.00 1.00 N HETATM 1337 C1S RCY A 130 72.659 10.376 -9.453 1.00 1.00 C HETATM 1338 C1U RCY A 130 73.819 13.309 -11.987 1.00 1.00 C HETATM 1339 C1V RCY A 130 72.312 13.824 -14.083 1.00 1.00 C HETATM 1340 N1V RCY A 130 73.834 15.637 -12.993 1.00 1.00 N HETATM 1341 C1W RCY A 130 75.286 15.199 -12.614 1.00 1.00 C HETATM 1342 C1X RCY A 130 72.828 14.440 -12.748 1.00 1.00 C HETATM 1343 C1Y RCY A 130 76.317 15.535 -13.740 1.00 1.00 C HETATM 1344 C1Z RCY A 130 75.781 15.929 -11.341 1.00 1.00 C HETATM 0 H1ZB RCY A 130 75.083 15.748 -10.523 1.00 1.00 H new HETATM 0 H1ZA RCY A 130 76.767 15.553 -11.066 1.00 1.00 H new HETATM 0 H1YB RCY A 130 77.302 15.166 -13.453 1.00 1.00 H new HETATM 0 H1YA RCY A 130 76.008 15.058 -14.670 1.00 1.00 H new HETATM 0 H1VB RCY A 130 71.511 13.116 -13.871 1.00 1.00 H new HETATM 0 H1VA RCY A 130 71.934 14.617 -14.728 1.00 1.00 H new HETATM 0 H1SA RCY A 130 72.081 9.887 -10.238 1.00 1.00 H new HETATM 0 H1MA RCY A 130 75.888 13.394 -11.595 1.00 1.00 H new HETATM 0 H1LA RCY A 130 74.366 9.489 -10.465 1.00 1.00 H new HETATM 0 H1CB RCY A 130 70.795 14.392 -11.883 1.00 1.00 H new HETATM 0 H1CA RCY A 130 71.812 15.709 -11.251 1.00 1.00 H new HETATM 0 H1Z RCY A 130 75.842 17.000 -11.536 1.00 1.00 H new HETATM 0 H1Y RCY A 130 76.361 16.615 -13.883 1.00 1.00 H new HETATM 0 H1V RCY A 130 73.130 13.307 -14.585 1.00 1.00 H new HETATM 0 H1U RCY A 130 73.285 12.420 -12.323 1.00 1.00 H new HETATM 0 H1M RCY A 130 75.476 13.155 -13.281 1.00 1.00 H new HETATM 0 H1L RCY A 130 74.561 9.613 -8.728 1.00 1.00 H new HETATM 0 H1C RCY A 130 71.115 15.829 -12.884 1.00 1.00 H new HETATM 1347 C1C RCY A 138 85.666 -0.862 -1.122 1.00 1.00 C HETATM 1348 O1G RCY A 138 85.419 1.540 4.103 1.00 1.00 O HETATM 1349 O1H RCY A 138 84.588 2.844 0.357 1.00 1.00 O HETATM 1350 O1J RCY A 138 83.457 -3.249 -1.337 1.00 1.00 O HETATM 1351 C1L RCY A 138 83.508 2.876 3.595 1.00 1.00 C HETATM 1352 C1M RCY A 138 84.096 -1.483 2.067 1.00 1.00 C HETATM 1353 C1P RCY A 138 84.352 1.604 3.445 1.00 1.00 C HETATM 1354 C1Q RCY A 138 84.400 2.537 1.506 1.00 1.00 C HETATM 1355 N1R RCY A 138 84.147 1.090 1.975 1.00 1.00 N HETATM 1356 C1S RCY A 138 83.968 3.764 2.399 1.00 1.00 C HETATM 1357 C1U RCY A 138 84.550 -0.384 1.206 1.00 1.00 C HETATM 1358 C1V RCY A 138 83.256 -0.289 -1.528 1.00 1.00 C HETATM 1359 N1V RCY A 138 83.842 -2.381 -0.238 1.00 1.00 N HETATM 1360 C1W RCY A 138 83.617 -2.689 1.281 1.00 1.00 C HETATM 1361 C1X RCY A 138 84.286 -0.899 -0.421 1.00 1.00 C HETATM 1362 C1Y RCY A 138 82.205 -2.933 1.715 1.00 1.00 C HETATM 1363 C1Z RCY A 138 84.300 -3.996 1.628 1.00 1.00 C HETATM 0 H1ZB RCY A 138 85.370 -3.908 1.441 1.00 1.00 H new HETATM 0 H1ZA RCY A 138 84.134 -4.225 2.681 1.00 1.00 H new HETATM 0 H1YB RCY A 138 82.183 -3.129 2.787 1.00 1.00 H new HETATM 0 H1YA RCY A 138 81.599 -2.054 1.494 1.00 1.00 H new HETATM 0 H1VB RCY A 138 83.557 0.727 -1.784 1.00 1.00 H new HETATM 0 H1VA RCY A 138 83.275 -0.910 -2.424 1.00 1.00 H new HETATM 0 H1SA RCY A 138 83.171 4.367 1.965 1.00 1.00 H new HETATM 0 H1MA RCY A 138 84.912 -1.784 2.724 1.00 1.00 H new HETATM 0 H1LA RCY A 138 82.441 2.658 3.545 1.00 1.00 H new HETATM 0 H1CB RCY A 138 86.061 0.153 -1.094 1.00 1.00 H new HETATM 0 H1CA RCY A 138 86.354 -1.533 -0.607 1.00 1.00 H new HETATM 0 H1Z RCY A 138 83.888 -4.796 1.013 1.00 1.00 H new HETATM 0 H1Y RCY A 138 81.804 -3.794 1.181 1.00 1.00 H new HETATM 0 H1V RCY A 138 82.246 -0.276 -1.117 1.00 1.00 H new HETATM 0 H1U RCY A 138 85.595 -0.107 1.065 1.00 1.00 H new HETATM 0 H1S RCY A 138 84.785 4.443 2.642 1.00 1.00 H new HETATM 0 H1M RCY A 138 83.288 -1.127 2.706 1.00 1.00 H new HETATM 0 H1L RCY A 138 83.689 3.367 4.551 1.00 1.00 H new HETATM 0 H1C RCY A 138 85.556 -1.180 -2.159 1.00 1.00 H new HETATM 1366 C1C RCY A 150 81.492 -1.174 12.364 1.00 1.00 C HETATM 1367 O1G RCY A 150 80.731 0.002 8.263 1.00 1.00 O HETATM 1368 O1H RCY A 150 85.336 -0.549 8.288 1.00 1.00 O HETATM 1369 O1J RCY A 150 81.747 -4.001 13.598 1.00 1.00 O HETATM 1370 C1L RCY A 150 82.759 1.121 7.603 1.00 1.00 C HETATM 1371 C1M RCY A 150 83.764 -3.327 10.347 1.00 1.00 C HETATM 1372 C1P RCY A 150 81.971 -0.021 8.220 1.00 1.00 C HETATM 1373 C1Q RCY A 150 84.277 -0.185 8.872 1.00 1.00 C HETATM 1374 N1R RCY A 150 82.920 -1.049 9.038 1.00 1.00 N HETATM 1375 C1S RCY A 150 83.904 1.285 8.643 1.00 1.00 C HETATM 1376 C1U RCY A 150 82.574 -2.441 10.018 1.00 1.00 C HETATM 1377 C1V RCY A 150 80.212 -2.931 11.017 1.00 1.00 C HETATM 1378 N1V RCY A 150 82.316 -3.525 12.340 1.00 1.00 N HETATM 1379 C1W RCY A 150 83.668 -4.053 11.719 1.00 1.00 C HETATM 1380 C1X RCY A 150 81.648 -2.429 11.404 1.00 1.00 C HETATM 1381 C1Y RCY A 150 84.954 -3.765 12.581 1.00 1.00 C HETATM 1382 C1Z RCY A 150 83.655 -5.631 11.624 1.00 1.00 C HETATM 0 H1ZB RCY A 150 82.797 -5.953 11.034 1.00 1.00 H new HETATM 0 H1ZA RCY A 150 84.573 -5.974 11.147 1.00 1.00 H new HETATM 0 H1YB RCY A 150 85.836 -4.124 12.050 1.00 1.00 H new HETATM 0 H1YA RCY A 150 85.045 -2.692 12.752 1.00 1.00 H new HETATM 0 H1VB RCY A 150 79.670 -3.215 11.919 1.00 1.00 H new HETATM 0 H1VA RCY A 150 79.673 -2.133 10.506 1.00 1.00 H new HETATM 0 H1MA RCY A 150 83.872 -4.075 9.561 1.00 1.00 H new HETATM 0 H1LA RCY A 150 83.135 0.874 6.610 1.00 1.00 H new HETATM 0 H1CB RCY A 150 82.470 -0.888 12.751 1.00 1.00 H new HETATM 0 H1CA RCY A 150 81.064 -0.341 11.807 1.00 1.00 H new HETATM 0 H1Z RCY A 150 83.586 -6.055 12.626 1.00 1.00 H new HETATM 0 H1Y RCY A 150 84.873 -4.279 13.539 1.00 1.00 H new HETATM 0 H1V RCY A 150 80.294 -3.794 10.357 1.00 1.00 H new HETATM 0 H1U RCY A 150 81.893 -2.801 9.246 1.00 1.00 H new HETATM 0 H1S RCY A 150 83.569 1.776 9.557 1.00 1.00 H new HETATM 0 H1M RCY A 150 84.668 -2.719 10.335 1.00 1.00 H new HETATM 0 H1L RCY A 150 82.161 2.027 7.501 1.00 1.00 H new HETATM 0 H1C RCY A 150 80.834 -1.431 13.194 1.00 1.00 H new HETATM 1385 C1C RCY A 160 70.120 -0.551 5.894 1.00 1.00 C HETATM 1386 O1G RCY A 160 73.736 2.084 3.484 1.00 1.00 O HETATM 1387 O1H RCY A 160 69.488 2.148 1.923 1.00 1.00 O HETATM 1388 O1J RCY A 160 70.255 -3.530 5.769 1.00 1.00 O HETATM 1389 C1L RCY A 160 73.087 2.888 1.186 1.00 1.00 C HETATM 1390 C1M RCY A 160 70.621 -1.481 2.525 1.00 1.00 C HETATM 1391 C1P RCY A 160 72.873 2.040 2.601 1.00 1.00 C HETATM 1392 C1Q RCY A 160 70.728 2.088 1.908 1.00 1.00 C HETATM 1393 N1R RCY A 160 71.509 1.246 2.924 1.00 1.00 N HETATM 1394 C1S RCY A 160 71.510 3.235 0.683 1.00 1.00 C HETATM 1395 C1U RCY A 160 70.928 -0.360 3.547 1.00 1.00 C HETATM 1396 C1V RCY A 160 72.557 -1.047 5.684 1.00 1.00 C HETATM 1397 N1V RCY A 160 70.608 -2.595 4.707 1.00 1.00 N HETATM 1398 C1W RCY A 160 70.374 -2.877 3.192 1.00 1.00 C HETATM 1399 C1X RCY A 160 71.181 -1.108 4.934 1.00 1.00 C HETATM 1400 C1Y RCY A 160 71.340 -3.937 2.666 1.00 1.00 C HETATM 1401 C1Z RCY A 160 68.943 -3.545 2.872 1.00 1.00 C HETATM 0 H1ZB RCY A 160 68.148 -2.888 3.224 1.00 1.00 H new HETATM 0 H1ZA RCY A 160 68.843 -3.693 1.797 1.00 1.00 H new HETATM 0 H1YB RCY A 160 71.210 -4.045 1.589 1.00 1.00 H new HETATM 0 H1YA RCY A 160 72.365 -3.633 2.879 1.00 1.00 H new HETATM 0 H1VB RCY A 160 72.782 -0.014 5.948 1.00 1.00 H new HETATM 0 H1VA RCY A 160 72.504 -1.650 6.591 1.00 1.00 H new HETATM 0 H1SA RCY A 160 71.225 4.279 0.811 1.00 1.00 H new HETATM 0 H1MA RCY A 160 69.741 -1.203 1.944 1.00 1.00 H new HETATM 0 H1LA RCY A 160 73.665 3.798 1.348 1.00 1.00 H new HETATM 0 H1CB RCY A 160 70.248 0.527 5.992 1.00 1.00 H new HETATM 0 H1CA RCY A 160 69.126 -0.764 5.501 1.00 1.00 H new HETATM 0 H1Z RCY A 160 68.869 -4.507 3.379 1.00 1.00 H new HETATM 0 H1Y RCY A 160 71.135 -4.890 3.154 1.00 1.00 H new HETATM 0 H1V RCY A 160 73.342 -1.435 5.035 1.00 1.00 H new HETATM 0 H1U RCY A 160 70.232 0.410 3.880 1.00 1.00 H new HETATM 0 H1S RCY A 160 71.310 2.975 -0.356 1.00 1.00 H new HETATM 0 H1M RCY A 160 71.452 -1.563 1.825 1.00 1.00 H new HETATM 0 H1L RCY A 160 73.623 2.298 0.443 1.00 1.00 H new HETATM 0 H1C RCY A 160 70.232 -1.020 6.871 1.00 1.00 H new HETATM 1404 C1C RCY A 168 72.838 2.225 -10.855 1.00 1.00 C HETATM 1405 O1G RCY A 168 72.639 5.414 -5.791 1.00 1.00 O HETATM 1406 O1H RCY A 168 74.155 2.443 -6.066 1.00 1.00 O HETATM 1407 O1J RCY A 168 73.876 3.754 -13.018 1.00 1.00 O HETATM 1408 C1L RCY A 168 72.370 3.328 -4.684 1.00 1.00 C HETATM 1409 C1M RCY A 168 73.434 5.651 -9.627 1.00 1.00 C HETATM 1410 C1P RCY A 168 72.472 4.405 -5.982 1.00 1.00 C HETATM 1411 C1Q RCY A 168 73.007 2.696 -6.476 1.00 1.00 C HETATM 1412 N1R RCY A 168 72.989 3.874 -7.321 1.00 1.00 N HETATM 1413 C1S RCY A 168 71.749 2.262 -5.480 1.00 1.00 C HETATM 1414 C1U RCY A 168 73.015 4.225 -9.133 1.00 1.00 C HETATM 1415 C1V RCY A 168 75.245 2.665 -10.168 1.00 1.00 C HETATM 1416 N1V RCY A 168 73.760 4.250 -11.651 1.00 1.00 N HETATM 1417 C1W RCY A 168 73.653 5.743 -11.272 1.00 1.00 C HETATM 1418 C1X RCY A 168 73.766 3.313 -10.349 1.00 1.00 C HETATM 1419 C1Y RCY A 168 74.926 6.526 -11.848 1.00 1.00 C HETATM 1420 C1Z RCY A 168 72.513 6.494 -12.104 1.00 1.00 C HETATM 0 H1ZB RCY A 168 71.561 5.983 -11.959 1.00 1.00 H new HETATM 0 H1ZA RCY A 168 72.429 7.524 -11.758 1.00 1.00 H new HETATM 0 H1YB RCY A 168 74.893 7.565 -11.520 1.00 1.00 H new HETATM 0 H1YA RCY A 168 75.839 6.058 -11.479 1.00 1.00 H new HETATM 0 H1VB RCY A 168 75.198 1.846 -9.450 1.00 1.00 H new HETATM 0 H1VA RCY A 168 75.596 2.287 -11.128 1.00 1.00 H new HETATM 0 H1SA RCY A 168 71.766 1.254 -5.065 1.00 1.00 H new HETATM 0 H1MA RCY A 168 72.670 6.369 -9.329 1.00 1.00 H new HETATM 0 H1LA RCY A 168 73.336 3.056 -4.259 1.00 1.00 H new HETATM 0 H1CB RCY A 168 72.572 1.562 -10.032 1.00 1.00 H new HETATM 0 H1CA RCY A 168 71.934 2.678 -11.263 1.00 1.00 H new HETATM 0 H1Z RCY A 168 72.771 6.487 -13.163 1.00 1.00 H new HETATM 0 H1Y RCY A 168 74.914 6.488 -12.937 1.00 1.00 H new HETATM 0 H1V RCY A 168 75.934 3.427 -9.804 1.00 1.00 H new HETATM 0 H1U RCY A 168 71.963 3.950 -9.056 1.00 1.00 H new HETATM 0 H1S RCY A 168 70.738 2.438 -5.847 1.00 1.00 H new HETATM 0 H1M RCY A 168 74.358 5.943 -9.128 1.00 1.00 H new HETATM 0 H1L RCY A 168 71.749 3.684 -3.862 1.00 1.00 H new HETATM 0 H1C RCY A 168 73.340 1.652 -11.635 1.00 1.00 H new HETATM 1423 C1C RCY A 173 87.187 -7.420 -15.049 1.00 1.00 C HETATM 1424 O1G RCY A 173 82.524 -4.624 -15.434 1.00 1.00 O HETATM 1425 O1H RCY A 173 83.588 -6.529 -11.499 1.00 1.00 O HETATM 1426 O1J RCY A 173 86.827 -7.617 -18.188 1.00 1.00 O HETATM 1427 C1L RCY A 173 81.254 -5.227 -13.475 1.00 1.00 C HETATM 1428 C1M RCY A 173 83.878 -8.282 -15.769 1.00 1.00 C HETATM 1429 C1P RCY A 173 82.348 -5.446 -14.519 1.00 1.00 C HETATM 1430 C1Q RCY A 173 82.930 -6.713 -12.540 1.00 1.00 C HETATM 1431 N1R RCY A 173 83.472 -6.505 -14.035 1.00 1.00 N HETATM 1432 C1S RCY A 173 81.411 -6.453 -12.585 1.00 1.00 C HETATM 1433 C1U RCY A 173 84.669 -7.411 -14.853 1.00 1.00 C HETATM 1434 C1V RCY A 173 86.386 -5.329 -15.940 1.00 1.00 C HETATM 1435 N1V RCY A 173 85.819 -7.613 -17.132 1.00 1.00 N HETATM 1436 C1W RCY A 173 84.444 -8.346 -17.196 1.00 1.00 C HETATM 1437 C1X RCY A 173 85.934 -6.849 -15.763 1.00 1.00 C HETATM 1438 C1Y RCY A 173 83.463 -7.680 -18.200 1.00 1.00 C HETATM 1439 C1Z RCY A 173 84.615 -9.821 -17.671 1.00 1.00 C HETATM 0 H1ZB RCY A 173 85.301 -10.341 -17.002 1.00 1.00 H new HETATM 0 H1ZA RCY A 173 83.647 -10.322 -17.659 1.00 1.00 H new HETATM 0 H1YB RCY A 173 82.506 -8.202 -18.175 1.00 1.00 H new HETATM 0 H1YA RCY A 173 83.314 -6.636 -17.925 1.00 1.00 H new HETATM 0 H1VB RCY A 173 86.577 -4.890 -14.961 1.00 1.00 H new HETATM 0 H1VA RCY A 173 87.295 -5.287 -16.540 1.00 1.00 H new HETATM 0 H1MA RCY A 173 83.840 -9.290 -15.356 1.00 1.00 H new HETATM 0 H1LA RCY A 173 81.400 -4.300 -12.921 1.00 1.00 H new HETATM 0 H1CB RCY A 173 87.221 -7.051 -14.024 1.00 1.00 H new HETATM 0 H1CA RCY A 173 87.137 -8.509 -15.041 1.00 1.00 H new HETATM 0 H1Z RCY A 173 85.017 -9.833 -18.684 1.00 1.00 H new HETATM 0 H1Y RCY A 173 83.879 -7.734 -19.206 1.00 1.00 H new HETATM 0 H1V RCY A 173 85.595 -4.770 -16.441 1.00 1.00 H new HETATM 0 H1U RCY A 173 85.250 -7.765 -14.001 1.00 1.00 H new HETATM 0 H1S RCY A 173 80.875 -7.310 -12.993 1.00 1.00 H new HETATM 0 H1M RCY A 173 82.852 -7.916 -15.810 1.00 1.00 H new HETATM 0 H1L RCY A 173 80.264 -5.176 -13.927 1.00 1.00 H new HETATM 0 H1C RCY A 173 88.085 -7.102 -15.579 1.00 1.00 H new HETATM 1442 C1C RCY A 176 76.329 -9.270 0.001 1.00 1.00 C HETATM 1443 O1G RCY A 176 81.506 -6.613 -1.462 1.00 1.00 O HETATM 1444 O1H RCY A 176 77.895 -8.316 -3.945 1.00 1.00 O HETATM 1445 O1J RCY A 176 77.298 -12.236 0.799 1.00 1.00 O HETATM 1446 C1L RCY A 176 80.926 -6.562 -3.904 1.00 1.00 C HETATM 1447 C1M RCY A 176 79.868 -9.226 0.961 1.00 1.00 C HETATM 1448 C1P RCY A 176 80.776 -7.106 -2.337 1.00 1.00 C HETATM 1449 C1Q RCY A 176 78.893 -7.815 -3.607 1.00 1.00 C HETATM 1450 N1R RCY A 176 79.469 -7.974 -1.944 1.00 1.00 N HETATM 1451 C1S RCY A 176 79.921 -7.304 -4.891 1.00 1.00 C HETATM 1452 C1U RCY A 176 78.859 -8.653 -0.085 1.00 1.00 C HETATM 1453 C1V RCY A 176 76.615 -9.773 1.870 1.00 1.00 C HETATM 1454 N1V RCY A 176 78.061 -10.998 0.642 1.00 1.00 N HETATM 1455 C1W RCY A 176 79.508 -10.801 1.046 1.00 1.00 C HETATM 1456 C1X RCY A 176 77.497 -9.602 0.576 1.00 1.00 C HETATM 1457 C1Y RCY A 176 80.079 -12.121 1.658 1.00 1.00 C HETATM 1458 C1Z RCY A 176 80.491 -11.067 0.181 1.00 1.00 C HETATM 0 H1ZB RCY A 176 80.301 -10.545 -0.757 1.00 1.00 H new HETATM 0 H1ZA RCY A 176 81.442 -10.733 0.596 1.00 1.00 H new HETATM 0 H1YB RCY A 176 81.071 -12.312 1.249 1.00 1.00 H new HETATM 0 H1YA RCY A 176 80.146 -12.020 2.741 1.00 1.00 H new HETATM 0 H1VB RCY A 176 76.133 -8.825 2.110 1.00 1.00 H new HETATM 0 H1VA RCY A 176 75.853 -10.532 1.693 1.00 1.00 H new HETATM 0 H1SA RCY A 176 79.439 -6.646 -5.614 1.00 1.00 H new HETATM 0 H1MA RCY A 176 80.899 -9.071 0.645 1.00 1.00 H new HETATM 0 H1LA RCY A 176 80.738 -5.489 -3.935 1.00 1.00 H new HETATM 0 H1CB RCY A 176 76.125 -8.214 0.175 1.00 1.00 H new HETATM 0 H1CA RCY A 176 76.386 -9.456 -1.071 1.00 1.00 H new HETATM 0 H1Z RCY A 176 80.533 -12.141 -0.003 1.00 1.00 H new HETATM 0 H1Y RCY A 176 79.418 -12.952 1.411 1.00 1.00 H new HETATM 0 H1V RCY A 176 77.247 -10.080 2.703 1.00 1.00 H new HETATM 0 H1U RCY A 176 78.543 -7.641 -0.337 1.00 1.00 H new HETATM 0 H1S RCY A 176 80.371 -8.121 -5.454 1.00 1.00 H new HETATM 0 H1M RCY A 176 79.755 -8.740 1.930 1.00 1.00 H new HETATM 0 H1L RCY A 176 81.950 -6.717 -4.245 1.00 1.00 H new HETATM 0 H1C RCY A 176 75.528 -9.870 0.432 1.00 1.00 H new HETATM 1461 C1C RCY A 187 73.702 -2.063 -0.574 1.00 1.00 C HETATM 1462 O1G RCY A 187 78.925 -4.476 -0.089 1.00 1.00 O HETATM 1463 O1H RCY A 187 74.820 -5.429 1.559 1.00 1.00 O HETATM 1464 O1J RCY A 187 74.464 -1.372 2.163 1.00 1.00 O HETATM 1465 C1L RCY A 187 78.311 -4.823 2.189 1.00 1.00 C HETATM 1466 C1M RCY A 187 77.324 -0.983 0.469 1.00 1.00 C HETATM 1467 C1P RCY A 187 78.099 -4.199 0.816 1.00 1.00 C HETATM 1468 C1Q RCY A 187 75.926 -4.935 1.679 1.00 1.00 C HETATM 1469 N1R RCY A 187 76.645 -3.739 0.641 1.00 1.00 N HETATM 1470 C1S RCY A 187 77.015 -5.340 2.659 1.00 1.00 C HETATM 1471 C1U RCY A 187 76.391 -2.116 -0.049 1.00 1.00 C HETATM 1472 C1V RCY A 187 75.143 -0.507 -1.672 1.00 1.00 C HETATM 1473 N1V RCY A 187 75.147 -0.661 1.114 1.00 1.00 N HETATM 1474 C1W RCY A 187 76.603 -0.159 1.514 1.00 1.00 C HETATM 1475 C1X RCY A 187 75.065 -1.346 -0.344 1.00 1.00 C HETATM 1476 C1Y RCY A 187 77.138 1.347 1.606 1.00 1.00 C HETATM 1477 C1Z RCY A 187 76.820 -0.595 2.990 1.00 1.00 C HETATM 0 H1ZB RCY A 187 76.475 -1.621 3.121 1.00 1.00 H new HETATM 0 H1ZA RCY A 187 77.880 -0.535 3.235 1.00 1.00 H new HETATM 0 H1YB RCY A 187 78.197 1.342 1.863 1.00 1.00 H new HETATM 0 H1YA RCY A 187 77.001 1.841 0.644 1.00 1.00 H new HETATM 0 H1VB RCY A 187 75.131 -1.180 -2.529 1.00 1.00 H new HETATM 0 H1VA RCY A 187 74.288 0.166 -1.728 1.00 1.00 H new HETATM 0 H1MA RCY A 187 78.231 -1.413 0.894 1.00 1.00 H new HETATM 0 H1LA RCY A 187 79.044 -5.627 2.133 1.00 1.00 H new HETATM 0 H1CB RCY A 187 73.781 -2.728 -1.434 1.00 1.00 H new HETATM 0 H1CA RCY A 187 73.442 -2.644 0.311 1.00 1.00 H new HETATM 0 H1Z RCY A 187 76.257 0.064 3.651 1.00 1.00 H new HETATM 0 H1Y RCY A 187 76.581 1.885 2.373 1.00 1.00 H new HETATM 0 H1V RCY A 187 76.064 0.075 -1.681 1.00 1.00 H new HETATM 0 H1U RCY A 187 76.578 -2.658 -0.976 1.00 1.00 H new HETATM 0 H1M RCY A 187 77.632 -0.346 -0.360 1.00 1.00 H new HETATM 0 H1L RCY A 187 78.702 -4.083 2.887 1.00 1.00 H new HETATM 0 H1C RCY A 187 72.927 -1.320 -0.761 1.00 1.00 H new