USER MOD reduce.3.24.130724 H: found=0, std=0, add=797, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 659 hydrogens (20 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 110 RCYH1SA : A 110 RCY C1S : A 10 CYS SG :(H bumps) USER MOD NoAdj-H: A 121 RCYH1YB : A 121 RCY C1Y : A 70 TRP NE1 :(H bumps) USER MOD NoAdj-H: A 121 RCYH1YA : A 121 RCY C1Y : A 70 TRP NE1 :(H bumps) USER MOD NoAdj-H: A 121 RCYH1SA : A 121 RCY C1S : A 21 CYS SG :(H bumps) USER MOD NoAdj-H: A 121 RCY H1Y : A 121 RCY C1Y : A 70 TRP NE1 :(H bumps) USER MOD NoAdj-H: A 130 RCYH1SA : A 130 RCY C1S : A 30 CYS SG :(H bumps) USER MOD NoAdj-H: A 130 RCY H1Z : A 130 RCY C1Z : A 176 RCY O1J :(H bumps) USER MOD NoAdj-H: A 138 RCYH1YB : A 138 RCY C1Y : A 150 RCY C1W :(H bumps) USER MOD NoAdj-H: A 138 RCYH1YA : A 138 RCY C1Y : A 150 RCY C1W :(H bumps) USER MOD NoAdj-H: A 138 RCYH1VA : A 138 RCY C1V : A 150 RCY O1J :(H bumps) USER MOD NoAdj-H: A 138 RCYH1SA : A 138 RCY C1S : A 38 CYS SG :(H bumps) USER MOD NoAdj-H: A 138 RCY H1V : A 138 RCY C1V : A 150 RCY N1V :(H bumps) USER MOD NoAdj-H: A 138 RCY H1U : A 138 RCY C1U : A 150 RCY N1R :(H bumps) USER MOD NoAdj-H: A 138 RCY H1M : A 138 RCY C1M : A 150 RCY C1X :(H bumps) USER MOD NoAdj-H: A 150 RCYH1VB : A 150 RCY C1V : A 138 RCY N1R :(H bumps) USER MOD NoAdj-H: A 150 RCYH1SA : A 150 RCY C1S : A 50 CYS SG :(H bumps) USER MOD NoAdj-H: A 150 RCYH1MA : A 150 RCY C1M : A 138 RCY C1W :(H bumps) USER MOD NoAdj-H: A 150 RCYH1CB : A 150 RCY C1C : A 138 RCY C1P :(H bumps) USER MOD NoAdj-H: A 150 RCYH1CA : A 150 RCY C1C : A 138 RCY C1X :(H bumps) USER MOD NoAdj-H: A 150 RCY H1C : A 150 RCY C1C : A 138 RCY C1P :(H bumps) USER MOD NoAdj-H: A 160 RCYH1YB : A 160 RCY C1Y : A 168 RCY C1V :(H bumps) USER MOD NoAdj-H: A 160 RCYH1YA : A 160 RCY C1Y : A 168 RCY C1V :(H bumps) USER MOD NoAdj-H: A 160 RCYH1SA : A 160 RCY C1S : A 60 CYS SG :(H bumps) USER MOD NoAdj-H: A 160 RCY H1M : A 160 RCY C1M : A 168 RCY C1V :(H bumps) USER MOD NoAdj-H: A 168 RCYH1VB : A 168 RCY C1V : A 160 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 168 RCYH1VA : A 168 RCY C1V : A 160 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 168 RCYH1SA : A 168 RCY C1S : A 68 CYS SG :(H bumps) USER MOD NoAdj-H: A 168 RCYH1CB : A 168 RCY C1C : A 173 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 168 RCY H1V : A 168 RCY C1V : A 160 RCY C1W :(H bumps) USER MOD NoAdj-H: A 168 RCY H1C : A 168 RCY C1C : A 173 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 173 RCYH1YB : A 173 RCY C1Y : A 168 RCY C1X :(H bumps) USER MOD NoAdj-H: A 173 RCYH1YA : A 173 RCY C1Y : A 168 RCY C1X :(H bumps) USER MOD NoAdj-H: A 173 RCYH1SA : A 173 RCY C1S : A 73 CYS SG :(H bumps) USER MOD NoAdj-H: A 176 RCYH1SA : A 176 RCY C1S : A 76 CYS SG :(H bumps) USER MOD NoAdj-H: A 187 RCYH1SA : A 187 RCY C1S : A 87 CYS SG :(H bumps) USER MOD Single : A 1 MET CE :methyl 147:sc= -0.263 (180deg=-0.443) USER MOD Single : A 1 MET N :NH3+ -167:sc= 0.474 (180deg=-0.195) USER MOD Single : A 2 ASN : amide:sc= -7.05! C(o=-7!,f=-8.6!) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc=0.000364 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl -170:sc= -6.23! (180deg=-6.49!) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -132:sc= 0 (180deg=-0.026) USER MOD Single : A 29 LYS NZ :NH3+ -153:sc= 0 (180deg=-0.73) USER MOD Single : A 31 LYS NZ :NH3+ 166:sc= -0.159 (180deg=-0.76) USER MOD Single : A 32 GLN : amide:sc= -0.782 X(o=-0.78,f=-0.38) USER MOD Single : A 34 GLN : amide:sc= -3.2! C(o=-3.2!,f=-16!) USER MOD Single : A 35 THR OG1 : rot 64:sc= 1.19 USER MOD Single : A 37 GLN : amide:sc= -1.43! C(o=-1.4!,f=-8.5!) USER MOD Single : A 39 LYS NZ :NH3+ 176:sc= 0.16! (180deg=0.0226!) USER MOD Single : A 40 SER OG : rot 59:sc= 0.841 USER MOD Single : A 41 LYS NZ :NH3+ -159:sc= -0.081 (180deg=-0.886) USER MOD Single : A 44 LYS NZ :NH3+ -151:sc= 0 (180deg=-0.0166) USER MOD Single : A 45 LYS NZ :NH3+ -165:sc= -2.94! (180deg=-3.52!) USER MOD Single : A 48 GLN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.0259 USER MOD Single : A 65 THR OG1 : rot 96:sc= -0.0461! USER MOD Single : A 74 ASN : amide:sc= -3.58! C(o=-3.6!,f=-4.8!) USER MOD Single : A 75 HIS : no HD1:sc= -0.265 X(o=-0.26,f=-0.38) USER MOD Single : A 79 HIS : no HD1:sc= -2.61! C(o=-2.6!,f=-3.8!) USER MOD Single : A 83 GLN : amide:sc= -3.85! C(o=-3.9!,f=-4.9!) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 62.742 -13.647 1.568 1.00 1.00 N ATOM 2 CA MET A 1 61.730 -13.367 2.624 1.00 1.00 C ATOM 3 C MET A 1 60.893 -12.151 2.219 1.00 1.00 C ATOM 4 O MET A 1 61.420 -11.100 1.917 1.00 1.00 O ATOM 5 CB MET A 1 62.442 -13.082 3.950 1.00 1.00 C ATOM 6 CG MET A 1 63.626 -14.037 4.110 1.00 1.00 C ATOM 7 SD MET A 1 63.087 -15.730 3.761 1.00 1.00 S ATOM 8 CE MET A 1 64.606 -16.289 2.952 1.00 1.00 C ATOM 0 H1 MET A 1 63.159 -14.586 1.727 1.00 1.00 H new ATOM 0 H2 MET A 1 62.285 -13.625 0.634 1.00 1.00 H new ATOM 0 H3 MET A 1 63.490 -12.926 1.604 1.00 1.00 H new ATOM 0 HA MET A 1 61.078 -14.232 2.742 1.00 1.00 H new ATOM 0 HB2 MET A 1 62.789 -12.049 3.974 1.00 1.00 H new ATOM 0 HB3 MET A 1 61.748 -13.204 4.781 1.00 1.00 H new ATOM 0 HG2 MET A 1 64.430 -13.753 3.432 1.00 1.00 H new ATOM 0 HG3 MET A 1 64.025 -13.972 5.122 1.00 1.00 H new ATOM 0 HE1 MET A 1 64.764 -17.346 3.165 1.00 1.00 H new ATOM 0 HE2 MET A 1 64.519 -16.145 1.875 1.00 1.00 H new ATOM 0 HE3 MET A 1 65.452 -15.713 3.328 1.00 1.00 H new ATOM 17 N ASN A 2 59.594 -12.292 2.212 1.00 1.00 N ATOM 18 CA ASN A 2 58.709 -11.152 1.827 1.00 1.00 C ATOM 19 C ASN A 2 59.086 -10.650 0.428 1.00 1.00 C ATOM 20 O ASN A 2 60.207 -10.255 0.177 1.00 1.00 O ATOM 21 CB ASN A 2 58.845 -10.018 2.858 1.00 1.00 C ATOM 22 CG ASN A 2 59.987 -9.085 2.451 1.00 1.00 C ATOM 23 OD1 ASN A 2 59.880 -8.362 1.480 1.00 1.00 O ATOM 24 ND2 ASN A 2 61.084 -9.070 3.157 1.00 1.00 N ATOM 0 H ASN A 2 59.105 -13.153 2.458 1.00 1.00 H new ATOM 0 HA ASN A 2 57.672 -11.489 1.810 1.00 1.00 H new ATOM 0 HB2 ASN A 2 57.912 -9.459 2.923 1.00 1.00 H new ATOM 0 HB3 ASN A 2 59.037 -10.434 3.847 1.00 1.00 H new ATOM 0 HD21 ASN A 2 61.851 -8.452 2.894 1.00 1.00 H new ATOM 0 HD22 ASN A 2 61.174 -9.677 3.972 1.00 1.00 H new ATOM 31 N LEU A 3 58.153 -10.666 -0.487 1.00 1.00 N ATOM 32 CA LEU A 3 58.449 -10.193 -1.872 1.00 1.00 C ATOM 33 C LEU A 3 57.244 -9.414 -2.408 1.00 1.00 C ATOM 34 O LEU A 3 57.182 -9.075 -3.573 1.00 1.00 O ATOM 35 CB LEU A 3 58.723 -11.403 -2.776 1.00 1.00 C ATOM 36 CG LEU A 3 60.201 -11.787 -2.688 1.00 1.00 C ATOM 37 CD1 LEU A 3 60.365 -13.270 -3.023 1.00 1.00 C ATOM 38 CD2 LEU A 3 61.005 -10.949 -3.685 1.00 1.00 C ATOM 0 H LEU A 3 57.197 -10.987 -0.335 1.00 1.00 H new ATOM 0 HA LEU A 3 59.325 -9.545 -1.860 1.00 1.00 H new ATOM 0 HB2 LEU A 3 58.100 -12.244 -2.473 1.00 1.00 H new ATOM 0 HB3 LEU A 3 58.459 -11.166 -3.807 1.00 1.00 H new ATOM 0 HG LEU A 3 60.564 -11.601 -1.677 1.00 1.00 H new ATOM 0 HD11 LEU A 3 61.418 -13.543 -2.960 1.00 1.00 H new ATOM 0 HD12 LEU A 3 59.792 -13.869 -2.315 1.00 1.00 H new ATOM 0 HD13 LEU A 3 60.001 -13.457 -4.033 1.00 1.00 H new ATOM 0 HD21 LEU A 3 62.059 -11.222 -3.623 1.00 1.00 H new ATOM 0 HD22 LEU A 3 60.640 -11.136 -4.695 1.00 1.00 H new ATOM 0 HD23 LEU A 3 60.890 -9.891 -3.448 1.00 1.00 H new ATOM 50 N GLU A 4 56.288 -9.128 -1.568 1.00 1.00 N ATOM 51 CA GLU A 4 55.091 -8.372 -2.032 1.00 1.00 C ATOM 52 C GLU A 4 55.438 -6.880 -2.119 1.00 1.00 C ATOM 53 O GLU A 4 56.292 -6.397 -1.403 1.00 1.00 O ATOM 54 CB GLU A 4 53.945 -8.576 -1.036 1.00 1.00 C ATOM 55 CG GLU A 4 53.276 -9.927 -1.297 1.00 1.00 C ATOM 56 CD GLU A 4 52.100 -10.109 -0.335 1.00 1.00 C ATOM 57 OE1 GLU A 4 51.066 -9.507 -0.574 1.00 1.00 O ATOM 58 OE2 GLU A 4 52.254 -10.847 0.624 1.00 1.00 O ATOM 0 H GLU A 4 56.284 -9.385 -0.581 1.00 1.00 H new ATOM 0 HA GLU A 4 54.785 -8.732 -3.014 1.00 1.00 H new ATOM 0 HB2 GLU A 4 54.325 -8.538 -0.015 1.00 1.00 H new ATOM 0 HB3 GLU A 4 53.216 -7.772 -1.135 1.00 1.00 H new ATOM 0 HG2 GLU A 4 52.927 -9.979 -2.328 1.00 1.00 H new ATOM 0 HG3 GLU A 4 53.997 -10.734 -1.163 1.00 1.00 H new ATOM 65 N PRO A 5 54.780 -6.154 -2.988 1.00 1.00 N ATOM 66 CA PRO A 5 55.025 -4.697 -3.165 1.00 1.00 C ATOM 67 C PRO A 5 55.279 -3.984 -1.826 1.00 1.00 C ATOM 68 O PRO A 5 54.462 -4.044 -0.929 1.00 1.00 O ATOM 69 CB PRO A 5 53.724 -4.202 -3.796 1.00 1.00 C ATOM 70 CG PRO A 5 53.202 -5.367 -4.574 1.00 1.00 C ATOM 71 CD PRO A 5 53.727 -6.638 -3.895 1.00 1.00 C ATOM 0 HA PRO A 5 55.912 -4.497 -3.766 1.00 1.00 H new ATOM 0 HB2 PRO A 5 53.012 -3.885 -3.034 1.00 1.00 H new ATOM 0 HB3 PRO A 5 53.901 -3.343 -4.443 1.00 1.00 H new ATOM 0 HG2 PRO A 5 52.112 -5.362 -4.590 1.00 1.00 H new ATOM 0 HG3 PRO A 5 53.536 -5.318 -5.610 1.00 1.00 H new ATOM 0 HD2 PRO A 5 52.937 -7.153 -3.349 1.00 1.00 H new ATOM 0 HD3 PRO A 5 54.123 -7.345 -4.624 1.00 1.00 H new ATOM 79 N PRO A 6 56.398 -3.313 -1.684 1.00 1.00 N ATOM 80 CA PRO A 6 56.738 -2.587 -0.427 1.00 1.00 C ATOM 81 C PRO A 6 55.995 -1.251 -0.313 1.00 1.00 C ATOM 82 O PRO A 6 55.766 -0.572 -1.294 1.00 1.00 O ATOM 83 CB PRO A 6 58.246 -2.358 -0.545 1.00 1.00 C ATOM 84 CG PRO A 6 58.510 -2.291 -2.014 1.00 1.00 C ATOM 85 CD PRO A 6 57.457 -3.172 -2.697 1.00 1.00 C ATOM 0 HA PRO A 6 56.451 -3.149 0.462 1.00 1.00 H new ATOM 0 HB2 PRO A 6 58.546 -1.436 -0.047 1.00 1.00 H new ATOM 0 HB3 PRO A 6 58.807 -3.169 -0.079 1.00 1.00 H new ATOM 0 HG2 PRO A 6 58.444 -1.263 -2.372 1.00 1.00 H new ATOM 0 HG3 PRO A 6 59.516 -2.644 -2.242 1.00 1.00 H new ATOM 0 HD2 PRO A 6 57.079 -2.708 -3.608 1.00 1.00 H new ATOM 0 HD3 PRO A 6 57.870 -4.140 -2.980 1.00 1.00 H new ATOM 93 N LYS A 7 55.616 -0.871 0.878 1.00 1.00 N ATOM 94 CA LYS A 7 54.888 0.418 1.055 1.00 1.00 C ATOM 95 C LYS A 7 55.258 1.029 2.408 1.00 1.00 C ATOM 96 O LYS A 7 55.037 2.198 2.654 1.00 1.00 O ATOM 97 CB LYS A 7 53.380 0.160 1.005 1.00 1.00 C ATOM 98 CG LYS A 7 52.642 1.480 0.770 1.00 1.00 C ATOM 99 CD LYS A 7 51.160 1.304 1.107 1.00 1.00 C ATOM 100 CE LYS A 7 50.561 0.210 0.220 1.00 1.00 C ATOM 101 NZ LYS A 7 49.074 0.292 0.267 1.00 1.00 N ATOM 0 H LYS A 7 55.779 -1.398 1.736 1.00 1.00 H new ATOM 0 HA LYS A 7 55.165 1.107 0.258 1.00 1.00 H new ATOM 0 HB2 LYS A 7 53.148 -0.545 0.207 1.00 1.00 H new ATOM 0 HB3 LYS A 7 53.047 -0.293 1.939 1.00 1.00 H new ATOM 0 HG2 LYS A 7 53.075 2.266 1.388 1.00 1.00 H new ATOM 0 HG3 LYS A 7 52.755 1.792 -0.268 1.00 1.00 H new ATOM 0 HD2 LYS A 7 51.044 1.039 2.158 1.00 1.00 H new ATOM 0 HD3 LYS A 7 50.627 2.243 0.954 1.00 1.00 H new ATOM 0 HE2 LYS A 7 50.910 0.327 -0.806 1.00 1.00 H new ATOM 0 HE3 LYS A 7 50.893 -0.771 0.560 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 48.666 -0.451 -0.336 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 48.750 0.160 1.246 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 48.767 1.224 -0.077 1.00 1.00 H new ATOM 115 N ALA A 8 55.820 0.247 3.287 1.00 1.00 N ATOM 116 CA ALA A 8 56.205 0.782 4.624 1.00 1.00 C ATOM 117 C ALA A 8 57.293 1.845 4.455 1.00 1.00 C ATOM 118 O ALA A 8 57.748 2.438 5.413 1.00 1.00 O ATOM 119 CB ALA A 8 56.735 -0.357 5.496 1.00 1.00 C ATOM 0 H ALA A 8 56.030 -0.740 3.138 1.00 1.00 H new ATOM 0 HA ALA A 8 55.333 1.229 5.101 1.00 1.00 H new ATOM 0 HB1 ALA A 8 57.017 0.034 6.474 1.00 1.00 H new ATOM 0 HB2 ALA A 8 55.960 -1.113 5.617 1.00 1.00 H new ATOM 0 HB3 ALA A 8 57.607 -0.805 5.019 1.00 1.00 H new ATOM 125 N GLU A 9 57.714 2.089 3.242 1.00 1.00 N ATOM 126 CA GLU A 9 58.775 3.112 3.008 1.00 1.00 C ATOM 127 C GLU A 9 58.130 4.429 2.571 1.00 1.00 C ATOM 128 O GLU A 9 58.801 5.422 2.371 1.00 1.00 O ATOM 129 CB GLU A 9 59.720 2.621 1.909 1.00 1.00 C ATOM 130 CG GLU A 9 58.948 2.485 0.595 1.00 1.00 C ATOM 131 CD GLU A 9 59.816 1.758 -0.434 1.00 1.00 C ATOM 132 OE1 GLU A 9 60.540 2.431 -1.150 1.00 1.00 O ATOM 133 OE2 GLU A 9 59.742 0.542 -0.490 1.00 1.00 O ATOM 0 H GLU A 9 57.369 1.624 2.403 1.00 1.00 H new ATOM 0 HA GLU A 9 59.335 3.270 3.929 1.00 1.00 H new ATOM 0 HB2 GLU A 9 60.547 3.320 1.786 1.00 1.00 H new ATOM 0 HB3 GLU A 9 60.153 1.661 2.189 1.00 1.00 H new ATOM 0 HG2 GLU A 9 58.022 1.934 0.760 1.00 1.00 H new ATOM 0 HG3 GLU A 9 58.670 3.470 0.221 1.00 1.00 H new ATOM 140 N CYS A 10 56.834 4.448 2.420 1.00 1.00 N ATOM 141 CA CYS A 10 56.153 5.703 1.993 1.00 1.00 C ATOM 142 C CYS A 10 56.108 6.684 3.166 1.00 1.00 C ATOM 143 O CYS A 10 56.206 7.882 2.989 1.00 1.00 O ATOM 144 CB CYS A 10 54.727 5.383 1.541 1.00 1.00 C ATOM 145 SG CYS A 10 53.877 6.918 1.095 1.00 1.00 S ATOM 0 H CYS A 10 56.218 3.650 2.574 1.00 1.00 H new ATOM 0 HA CYS A 10 56.704 6.151 1.166 1.00 1.00 H new ATOM 0 HB2 CYS A 10 54.748 4.705 0.688 1.00 1.00 H new ATOM 0 HB3 CYS A 10 54.187 4.874 2.339 1.00 1.00 H new ATOM 150 N ARG A 11 55.962 6.188 4.364 1.00 1.00 N ATOM 151 CA ARG A 11 55.912 7.095 5.545 1.00 1.00 C ATOM 152 C ARG A 11 57.224 7.880 5.635 1.00 1.00 C ATOM 153 O ARG A 11 58.296 7.312 5.701 1.00 1.00 O ATOM 154 CB ARG A 11 55.718 6.263 6.819 1.00 1.00 C ATOM 155 CG ARG A 11 54.223 6.107 7.105 1.00 1.00 C ATOM 156 CD ARG A 11 53.527 5.517 5.878 1.00 1.00 C ATOM 157 NE ARG A 11 53.022 6.621 5.014 1.00 1.00 N ATOM 158 CZ ARG A 11 52.108 6.380 4.114 1.00 1.00 C ATOM 159 NH1 ARG A 11 51.636 5.172 3.971 1.00 1.00 N ATOM 160 NH2 ARG A 11 51.667 7.347 3.357 1.00 1.00 N ATOM 0 H ARG A 11 55.875 5.194 4.576 1.00 1.00 H new ATOM 0 HA ARG A 11 55.080 7.791 5.440 1.00 1.00 H new ATOM 0 HB2 ARG A 11 56.180 5.283 6.700 1.00 1.00 H new ATOM 0 HB3 ARG A 11 56.211 6.748 7.661 1.00 1.00 H new ATOM 0 HG2 ARG A 11 54.073 5.458 7.968 1.00 1.00 H new ATOM 0 HG3 ARG A 11 53.787 7.074 7.353 1.00 1.00 H new ATOM 0 HD2 ARG A 11 54.222 4.892 5.318 1.00 1.00 H new ATOM 0 HD3 ARG A 11 52.701 4.877 6.188 1.00 1.00 H new ATOM 0 HE ARG A 11 53.391 7.565 5.126 1.00 1.00 H new ATOM 0 HH11 ARG A 11 51.981 4.416 4.563 1.00 1.00 H new ATOM 0 HH12 ARG A 11 50.922 4.983 3.268 1.00 1.00 H new ATOM 0 HH21 ARG A 11 52.037 8.291 3.469 1.00 1.00 H new ATOM 0 HH22 ARG A 11 50.953 7.159 2.654 1.00 1.00 H new ATOM 174 N SER A 12 57.147 9.183 5.638 1.00 1.00 N ATOM 175 CA SER A 12 58.387 10.004 5.724 1.00 1.00 C ATOM 176 C SER A 12 59.210 9.563 6.935 1.00 1.00 C ATOM 177 O SER A 12 60.361 9.192 6.814 1.00 1.00 O ATOM 178 CB SER A 12 58.012 11.479 5.873 1.00 1.00 C ATOM 179 OG SER A 12 57.066 11.826 4.871 1.00 1.00 O ATOM 0 H SER A 12 56.278 9.714 5.585 1.00 1.00 H new ATOM 0 HA SER A 12 58.976 9.868 4.817 1.00 1.00 H new ATOM 0 HB2 SER A 12 57.594 11.662 6.863 1.00 1.00 H new ATOM 0 HB3 SER A 12 58.901 12.103 5.782 1.00 1.00 H new ATOM 0 HG SER A 12 56.822 12.771 4.965 1.00 1.00 H new ATOM 185 N ALA A 13 58.631 9.601 8.104 1.00 1.00 N ATOM 186 CA ALA A 13 59.381 9.185 9.323 1.00 1.00 C ATOM 187 C ALA A 13 58.398 8.670 10.376 1.00 1.00 C ATOM 188 O ALA A 13 57.495 9.369 10.792 1.00 1.00 O ATOM 189 CB ALA A 13 60.147 10.385 9.885 1.00 1.00 C ATOM 0 H ALA A 13 57.670 9.902 8.268 1.00 1.00 H new ATOM 0 HA ALA A 13 60.084 8.393 9.064 1.00 1.00 H new ATOM 0 HB1 ALA A 13 60.696 10.081 10.777 1.00 1.00 H new ATOM 0 HB2 ALA A 13 60.848 10.753 9.135 1.00 1.00 H new ATOM 0 HB3 ALA A 13 59.444 11.177 10.144 1.00 1.00 H new ATOM 195 N THR A 14 58.565 7.451 10.812 1.00 1.00 N ATOM 196 CA THR A 14 57.641 6.893 11.838 1.00 1.00 C ATOM 197 C THR A 14 58.023 7.434 13.217 1.00 1.00 C ATOM 198 O THR A 14 57.237 8.079 13.881 1.00 1.00 O ATOM 199 CB THR A 14 57.745 5.366 11.842 1.00 1.00 C ATOM 200 OG1 THR A 14 57.646 4.883 10.510 1.00 1.00 O ATOM 201 CG2 THR A 14 56.613 4.777 12.686 1.00 1.00 C ATOM 0 H THR A 14 59.302 6.818 10.501 1.00 1.00 H new ATOM 0 HA THR A 14 56.618 7.187 11.603 1.00 1.00 H new ATOM 0 HB THR A 14 58.704 5.068 12.267 1.00 1.00 H new ATOM 0 HG1 THR A 14 57.714 3.905 10.511 1.00 1.00 H new ATOM 0 HG21 THR A 14 56.688 3.690 12.688 1.00 1.00 H new ATOM 0 HG22 THR A 14 56.690 5.148 13.708 1.00 1.00 H new ATOM 0 HG23 THR A 14 55.653 5.073 12.264 1.00 1.00 H new ATOM 209 N ARG A 15 59.227 7.178 13.652 1.00 1.00 N ATOM 210 CA ARG A 15 59.659 7.679 14.987 1.00 1.00 C ATOM 211 C ARG A 15 61.152 7.401 15.176 1.00 1.00 C ATOM 212 O ARG A 15 61.674 7.486 16.270 1.00 1.00 O ATOM 213 CB ARG A 15 58.865 6.964 16.083 1.00 1.00 C ATOM 214 CG ARG A 15 59.059 5.452 15.953 1.00 1.00 C ATOM 215 CD ARG A 15 58.027 4.728 16.819 1.00 1.00 C ATOM 216 NE ARG A 15 58.323 4.979 18.258 1.00 1.00 N ATOM 217 CZ ARG A 15 57.384 4.831 19.152 1.00 1.00 C ATOM 218 NH1 ARG A 15 56.186 4.464 18.786 1.00 1.00 N ATOM 219 NH2 ARG A 15 57.642 5.052 20.412 1.00 1.00 N ATOM 0 H ARG A 15 59.929 6.644 13.141 1.00 1.00 H new ATOM 0 HA ARG A 15 59.477 8.752 15.049 1.00 1.00 H new ATOM 0 HB2 ARG A 15 59.197 7.300 17.065 1.00 1.00 H new ATOM 0 HB3 ARG A 15 57.807 7.214 16.001 1.00 1.00 H new ATOM 0 HG2 ARG A 15 58.952 5.149 14.911 1.00 1.00 H new ATOM 0 HG3 ARG A 15 60.067 5.176 16.263 1.00 1.00 H new ATOM 0 HD2 ARG A 15 57.023 5.078 16.577 1.00 1.00 H new ATOM 0 HD3 ARG A 15 58.050 3.658 16.613 1.00 1.00 H new ATOM 0 HE ARG A 15 59.259 5.266 18.544 1.00 1.00 H new ATOM 0 HH11 ARG A 15 55.984 4.293 17.801 1.00 1.00 H new ATOM 0 HH12 ARG A 15 55.452 4.348 19.485 1.00 1.00 H new ATOM 0 HH21 ARG A 15 58.578 5.340 20.698 1.00 1.00 H new ATOM 0 HH22 ARG A 15 56.908 4.936 21.111 1.00 1.00 H new ATOM 233 N VAL A 16 61.842 7.069 14.116 1.00 1.00 N ATOM 234 CA VAL A 16 63.303 6.782 14.226 1.00 1.00 C ATOM 235 C VAL A 16 64.097 7.926 13.591 1.00 1.00 C ATOM 236 O VAL A 16 64.647 8.767 14.275 1.00 1.00 O ATOM 237 CB VAL A 16 63.620 5.477 13.495 1.00 1.00 C ATOM 238 CG1 VAL A 16 65.119 5.187 13.593 1.00 1.00 C ATOM 239 CG2 VAL A 16 62.837 4.331 14.138 1.00 1.00 C ATOM 0 H VAL A 16 61.455 6.984 13.176 1.00 1.00 H new ATOM 0 HA VAL A 16 63.577 6.688 15.277 1.00 1.00 H new ATOM 0 HB VAL A 16 63.336 5.570 12.447 1.00 1.00 H new ATOM 0 HG11 VAL A 16 65.344 4.257 13.072 1.00 1.00 H new ATOM 0 HG12 VAL A 16 65.678 6.004 13.136 1.00 1.00 H new ATOM 0 HG13 VAL A 16 65.404 5.094 14.641 1.00 1.00 H new ATOM 0 HG21 VAL A 16 63.062 3.400 13.618 1.00 1.00 H new ATOM 0 HG22 VAL A 16 63.122 4.239 15.186 1.00 1.00 H new ATOM 0 HG23 VAL A 16 61.769 4.536 14.069 1.00 1.00 H new ATOM 249 N MET A 17 64.165 7.963 12.287 1.00 1.00 N ATOM 250 CA MET A 17 64.926 9.052 11.608 1.00 1.00 C ATOM 251 C MET A 17 63.977 10.203 11.267 1.00 1.00 C ATOM 252 O MET A 17 62.816 9.997 10.973 1.00 1.00 O ATOM 253 CB MET A 17 65.554 8.507 10.321 1.00 1.00 C ATOM 254 CG MET A 17 64.453 8.187 9.308 1.00 1.00 C ATOM 255 SD MET A 17 64.038 9.682 8.376 1.00 1.00 S ATOM 256 CE MET A 17 63.263 8.860 6.962 1.00 1.00 C ATOM 0 H MET A 17 63.726 7.286 11.663 1.00 1.00 H new ATOM 0 HA MET A 17 65.711 9.416 12.271 1.00 1.00 H new ATOM 0 HB2 MET A 17 66.245 9.239 9.903 1.00 1.00 H new ATOM 0 HB3 MET A 17 66.134 7.610 10.539 1.00 1.00 H new ATOM 0 HG2 MET A 17 64.786 7.403 8.628 1.00 1.00 H new ATOM 0 HG3 MET A 17 63.569 7.809 9.822 1.00 1.00 H new ATOM 0 HE1 MET A 17 63.086 9.588 6.170 1.00 1.00 H new ATOM 0 HE2 MET A 17 63.922 8.074 6.592 1.00 1.00 H new ATOM 0 HE3 MET A 17 62.314 8.422 7.271 1.00 1.00 H new ATOM 266 N GLY A 18 64.462 11.414 11.302 1.00 1.00 N ATOM 267 CA GLY A 18 63.589 12.580 10.978 1.00 1.00 C ATOM 268 C GLY A 18 64.041 13.796 11.788 1.00 1.00 C ATOM 269 O GLY A 18 64.790 13.678 12.738 1.00 1.00 O ATOM 0 H GLY A 18 65.426 11.647 11.541 1.00 1.00 H new ATOM 0 HA2 GLY A 18 63.640 12.801 9.912 1.00 1.00 H new ATOM 0 HA3 GLY A 18 62.549 12.344 11.206 1.00 1.00 H new ATOM 273 N GLY A 19 63.593 14.965 11.421 1.00 1.00 N ATOM 274 CA GLY A 19 63.997 16.187 12.172 1.00 1.00 C ATOM 275 C GLY A 19 65.391 16.628 11.721 1.00 1.00 C ATOM 276 O GLY A 19 65.898 16.175 10.714 1.00 1.00 O ATOM 0 H GLY A 19 62.965 15.127 10.634 1.00 1.00 H new ATOM 0 HA2 GLY A 19 63.277 16.987 11.999 1.00 1.00 H new ATOM 0 HA3 GLY A 19 63.997 15.985 13.243 1.00 1.00 H new ATOM 280 N PRO A 20 66.004 17.509 12.466 1.00 1.00 N ATOM 281 CA PRO A 20 67.365 18.031 12.147 1.00 1.00 C ATOM 282 C PRO A 20 68.359 16.907 11.828 1.00 1.00 C ATOM 283 O PRO A 20 69.071 16.430 12.689 1.00 1.00 O ATOM 284 CB PRO A 20 67.775 18.775 13.423 1.00 1.00 C ATOM 285 CG PRO A 20 66.492 19.178 14.069 1.00 1.00 C ATOM 286 CD PRO A 20 65.463 18.108 13.697 1.00 1.00 C ATOM 0 HA PRO A 20 67.361 18.663 11.259 1.00 1.00 H new ATOM 0 HB2 PRO A 20 68.363 18.135 14.081 1.00 1.00 H new ATOM 0 HB3 PRO A 20 68.390 19.645 13.192 1.00 1.00 H new ATOM 0 HG2 PRO A 20 66.607 19.246 15.151 1.00 1.00 H new ATOM 0 HG3 PRO A 20 66.174 20.160 13.720 1.00 1.00 H new ATOM 0 HD2 PRO A 20 65.354 17.366 14.488 1.00 1.00 H new ATOM 0 HD3 PRO A 20 64.477 18.542 13.530 1.00 1.00 H new ATOM 294 N CYS A 21 68.411 16.482 10.594 1.00 1.00 N ATOM 295 CA CYS A 21 69.357 15.393 10.219 1.00 1.00 C ATOM 296 C CYS A 21 70.667 16.006 9.719 1.00 1.00 C ATOM 297 O CYS A 21 70.789 16.380 8.569 1.00 1.00 O ATOM 298 CB CYS A 21 68.738 14.540 9.109 1.00 1.00 C ATOM 299 SG CYS A 21 69.758 13.070 8.837 1.00 1.00 S ATOM 0 H CYS A 21 67.839 16.842 9.830 1.00 1.00 H new ATOM 0 HA CYS A 21 69.556 14.768 11.090 1.00 1.00 H new ATOM 0 HB2 CYS A 21 67.725 14.247 9.383 1.00 1.00 H new ATOM 0 HB3 CYS A 21 68.664 15.120 8.189 1.00 1.00 H new ATOM 304 N THR A 22 71.649 16.112 10.576 1.00 1.00 N ATOM 305 CA THR A 22 72.955 16.701 10.155 1.00 1.00 C ATOM 306 C THR A 22 73.986 15.578 9.972 1.00 1.00 C ATOM 307 O THR A 22 74.142 14.736 10.834 1.00 1.00 O ATOM 308 CB THR A 22 73.445 17.663 11.240 1.00 1.00 C ATOM 309 OG1 THR A 22 72.394 18.552 11.591 1.00 1.00 O ATOM 310 CG2 THR A 22 74.639 18.462 10.715 1.00 1.00 C ATOM 0 H THR A 22 71.603 15.816 11.551 1.00 1.00 H new ATOM 0 HA THR A 22 72.829 17.238 9.215 1.00 1.00 H new ATOM 0 HB THR A 22 73.750 17.095 12.119 1.00 1.00 H new ATOM 0 HG1 THR A 22 72.705 19.168 12.287 1.00 1.00 H new ATOM 0 HG21 THR A 22 74.987 19.147 11.488 1.00 1.00 H new ATOM 0 HG22 THR A 22 75.444 17.778 10.446 1.00 1.00 H new ATOM 0 HG23 THR A 22 74.338 19.031 9.836 1.00 1.00 H new ATOM 318 N PRO A 23 74.690 15.559 8.864 1.00 1.00 N ATOM 319 CA PRO A 23 75.718 14.515 8.592 1.00 1.00 C ATOM 320 C PRO A 23 76.573 14.207 9.826 1.00 1.00 C ATOM 321 O PRO A 23 76.855 15.073 10.630 1.00 1.00 O ATOM 322 CB PRO A 23 76.572 15.136 7.486 1.00 1.00 C ATOM 323 CG PRO A 23 75.646 16.050 6.751 1.00 1.00 C ATOM 324 CD PRO A 23 74.589 16.523 7.756 1.00 1.00 C ATOM 0 HA PRO A 23 75.269 13.562 8.314 1.00 1.00 H new ATOM 0 HB2 PRO A 23 77.419 15.682 7.901 1.00 1.00 H new ATOM 0 HB3 PRO A 23 76.979 14.371 6.825 1.00 1.00 H new ATOM 0 HG2 PRO A 23 76.191 16.898 6.337 1.00 1.00 H new ATOM 0 HG3 PRO A 23 75.177 15.532 5.914 1.00 1.00 H new ATOM 0 HD2 PRO A 23 74.787 17.540 8.094 1.00 1.00 H new ATOM 0 HD3 PRO A 23 73.592 16.522 7.316 1.00 1.00 H new ATOM 332 N ARG A 24 76.988 12.979 9.981 1.00 1.00 N ATOM 333 CA ARG A 24 77.824 12.615 11.161 1.00 1.00 C ATOM 334 C ARG A 24 79.303 12.795 10.812 1.00 1.00 C ATOM 335 O ARG A 24 79.712 12.579 9.690 1.00 1.00 O ATOM 336 CB ARG A 24 77.565 11.153 11.540 1.00 1.00 C ATOM 337 CG ARG A 24 77.785 10.257 10.320 1.00 1.00 C ATOM 338 CD ARG A 24 78.819 9.181 10.656 1.00 1.00 C ATOM 339 NE ARG A 24 80.139 9.823 10.913 1.00 1.00 N ATOM 340 CZ ARG A 24 81.077 9.162 11.534 1.00 1.00 C ATOM 341 NH1 ARG A 24 80.859 7.938 11.930 1.00 1.00 N ATOM 342 NH2 ARG A 24 82.233 9.724 11.758 1.00 1.00 N ATOM 0 H ARG A 24 76.784 12.211 9.341 1.00 1.00 H new ATOM 0 HA ARG A 24 77.566 13.260 12.001 1.00 1.00 H new ATOM 0 HB2 ARG A 24 78.232 10.853 12.348 1.00 1.00 H new ATOM 0 HB3 ARG A 24 76.546 11.038 11.909 1.00 1.00 H new ATOM 0 HG2 ARG A 24 76.845 9.792 10.023 1.00 1.00 H new ATOM 0 HG3 ARG A 24 78.127 10.854 9.474 1.00 1.00 H new ATOM 0 HD2 ARG A 24 78.500 8.617 11.532 1.00 1.00 H new ATOM 0 HD3 ARG A 24 78.902 8.472 9.833 1.00 1.00 H new ATOM 0 HE ARG A 24 80.309 10.780 10.603 1.00 1.00 H new ATOM 0 HH11 ARG A 24 79.956 7.498 11.754 1.00 1.00 H new ATOM 0 HH12 ARG A 24 81.592 7.421 12.415 1.00 1.00 H new ATOM 0 HH21 ARG A 24 82.404 10.681 11.448 1.00 1.00 H new ATOM 0 HH22 ARG A 24 82.966 9.207 12.244 1.00 1.00 H new ATOM 356 N LYS A 25 80.105 13.188 11.766 1.00 1.00 N ATOM 357 CA LYS A 25 81.558 13.384 11.499 1.00 1.00 C ATOM 358 C LYS A 25 82.276 13.716 12.813 1.00 1.00 C ATOM 359 O LYS A 25 82.586 14.857 13.095 1.00 1.00 O ATOM 360 CB LYS A 25 81.744 14.532 10.493 1.00 1.00 C ATOM 361 CG LYS A 25 82.937 14.227 9.585 1.00 1.00 C ATOM 362 CD LYS A 25 82.521 13.209 8.520 1.00 1.00 C ATOM 363 CE LYS A 25 81.926 13.943 7.317 1.00 1.00 C ATOM 364 NZ LYS A 25 81.035 13.018 6.562 1.00 1.00 N ATOM 0 H LYS A 25 79.813 13.382 12.724 1.00 1.00 H new ATOM 0 HA LYS A 25 81.982 12.471 11.080 1.00 1.00 H new ATOM 0 HB2 LYS A 25 80.841 14.656 9.895 1.00 1.00 H new ATOM 0 HB3 LYS A 25 81.907 15.471 11.022 1.00 1.00 H new ATOM 0 HG2 LYS A 25 83.290 15.143 9.110 1.00 1.00 H new ATOM 0 HG3 LYS A 25 83.765 13.834 10.175 1.00 1.00 H new ATOM 0 HD2 LYS A 25 83.383 12.619 8.209 1.00 1.00 H new ATOM 0 HD3 LYS A 25 81.790 12.513 8.933 1.00 1.00 H new ATOM 0 HE2 LYS A 25 81.364 14.815 7.651 1.00 1.00 H new ATOM 0 HE3 LYS A 25 82.723 14.307 6.669 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 81.261 13.069 5.548 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 81.178 12.045 6.900 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 80.043 13.293 6.710 1.00 1.00 H new ATOM 378 N GLY A 26 82.545 12.724 13.619 1.00 1.00 N ATOM 379 CA GLY A 26 83.245 12.979 14.912 1.00 1.00 C ATOM 380 C GLY A 26 84.106 11.763 15.274 1.00 1.00 C ATOM 381 O GLY A 26 85.223 11.636 14.814 1.00 1.00 O ATOM 0 H GLY A 26 82.310 11.748 13.438 1.00 1.00 H new ATOM 0 HA2 GLY A 26 83.869 13.869 14.831 1.00 1.00 H new ATOM 0 HA3 GLY A 26 82.517 13.171 15.700 1.00 1.00 H new ATOM 385 N PRO A 27 83.595 10.869 16.085 1.00 1.00 N ATOM 386 CA PRO A 27 84.340 9.648 16.496 1.00 1.00 C ATOM 387 C PRO A 27 85.127 9.042 15.324 1.00 1.00 C ATOM 388 O PRO A 27 84.595 8.878 14.244 1.00 1.00 O ATOM 389 CB PRO A 27 83.230 8.698 16.948 1.00 1.00 C ATOM 390 CG PRO A 27 82.136 9.586 17.445 1.00 1.00 C ATOM 391 CD PRO A 27 82.256 10.918 16.695 1.00 1.00 C ATOM 0 HA PRO A 27 85.082 9.851 17.268 1.00 1.00 H new ATOM 0 HB2 PRO A 27 82.886 8.073 16.124 1.00 1.00 H new ATOM 0 HB3 PRO A 27 83.580 8.027 17.733 1.00 1.00 H new ATOM 0 HG2 PRO A 27 81.161 9.131 17.268 1.00 1.00 H new ATOM 0 HG3 PRO A 27 82.225 9.741 18.520 1.00 1.00 H new ATOM 0 HD2 PRO A 27 81.477 11.021 15.939 1.00 1.00 H new ATOM 0 HD3 PRO A 27 82.157 11.767 17.372 1.00 1.00 H new ATOM 399 N PRO A 28 86.381 8.715 15.521 1.00 1.00 N ATOM 400 CA PRO A 28 87.222 8.128 14.442 1.00 1.00 C ATOM 401 C PRO A 28 86.464 7.074 13.629 1.00 1.00 C ATOM 402 O PRO A 28 85.903 6.144 14.173 1.00 1.00 O ATOM 403 CB PRO A 28 88.384 7.490 15.203 1.00 1.00 C ATOM 404 CG PRO A 28 88.519 8.296 16.454 1.00 1.00 C ATOM 405 CD PRO A 28 87.131 8.862 16.778 1.00 1.00 C ATOM 0 HA PRO A 28 87.537 8.876 13.714 1.00 1.00 H new ATOM 0 HB2 PRO A 28 88.180 6.443 15.428 1.00 1.00 H new ATOM 0 HB3 PRO A 28 89.302 7.517 14.616 1.00 1.00 H new ATOM 0 HG2 PRO A 28 88.883 7.677 17.274 1.00 1.00 H new ATOM 0 HG3 PRO A 28 89.241 9.101 16.317 1.00 1.00 H new ATOM 0 HD2 PRO A 28 86.657 8.313 17.592 1.00 1.00 H new ATOM 0 HD3 PRO A 28 87.188 9.905 17.088 1.00 1.00 H new ATOM 413 N LYS A 29 86.459 7.213 12.330 1.00 1.00 N ATOM 414 CA LYS A 29 85.750 6.228 11.460 1.00 1.00 C ATOM 415 C LYS A 29 85.858 6.688 10.005 1.00 1.00 C ATOM 416 O LYS A 29 85.761 5.900 9.085 1.00 1.00 O ATOM 417 CB LYS A 29 84.265 6.146 11.849 1.00 1.00 C ATOM 418 CG LYS A 29 83.670 4.841 11.318 1.00 1.00 C ATOM 419 CD LYS A 29 83.949 3.710 12.310 1.00 1.00 C ATOM 420 CE LYS A 29 84.119 2.393 11.551 1.00 1.00 C ATOM 421 NZ LYS A 29 83.020 2.249 10.555 1.00 1.00 N ATOM 0 H LYS A 29 86.920 7.973 11.830 1.00 1.00 H new ATOM 0 HA LYS A 29 86.206 5.246 11.585 1.00 1.00 H new ATOM 0 HB2 LYS A 29 84.159 6.192 12.933 1.00 1.00 H new ATOM 0 HB3 LYS A 29 83.723 6.998 11.439 1.00 1.00 H new ATOM 0 HG2 LYS A 29 82.596 4.953 11.171 1.00 1.00 H new ATOM 0 HG3 LYS A 29 84.102 4.601 10.346 1.00 1.00 H new ATOM 0 HD2 LYS A 29 84.849 3.930 12.884 1.00 1.00 H new ATOM 0 HD3 LYS A 29 83.129 3.627 13.023 1.00 1.00 H new ATOM 0 HE2 LYS A 29 85.086 2.373 11.048 1.00 1.00 H new ATOM 0 HE3 LYS A 29 84.105 1.555 12.248 1.00 1.00 H new ATOM 0 HZ1 LYS A 29 82.845 1.240 10.374 1.00 1.00 H new ATOM 0 HZ2 LYS A 29 82.154 2.689 10.927 1.00 1.00 H new ATOM 0 HZ3 LYS A 29 83.292 2.718 9.667 1.00 1.00 H new ATOM 435 N CYS A 30 86.050 7.965 9.795 1.00 1.00 N ATOM 436 CA CYS A 30 86.158 8.494 8.405 1.00 1.00 C ATOM 437 C CYS A 30 87.608 8.893 8.122 1.00 1.00 C ATOM 438 O CYS A 30 88.477 8.745 8.958 1.00 1.00 O ATOM 439 CB CYS A 30 85.255 9.723 8.262 1.00 1.00 C ATOM 440 SG CYS A 30 84.993 10.087 6.508 1.00 1.00 S ATOM 0 H CYS A 30 86.137 8.666 10.531 1.00 1.00 H new ATOM 0 HA CYS A 30 85.848 7.726 7.696 1.00 1.00 H new ATOM 0 HB2 CYS A 30 84.299 9.543 8.753 1.00 1.00 H new ATOM 0 HB3 CYS A 30 85.711 10.581 8.757 1.00 1.00 H new ATOM 445 N LYS A 31 87.874 9.402 6.950 1.00 1.00 N ATOM 446 CA LYS A 31 89.265 9.816 6.613 1.00 1.00 C ATOM 447 C LYS A 31 90.243 8.708 7.009 1.00 1.00 C ATOM 448 O LYS A 31 91.439 8.914 7.063 1.00 1.00 O ATOM 449 CB LYS A 31 89.614 11.096 7.375 1.00 1.00 C ATOM 450 CG LYS A 31 88.626 12.201 6.998 1.00 1.00 C ATOM 451 CD LYS A 31 88.663 13.304 8.058 1.00 1.00 C ATOM 452 CE LYS A 31 87.881 14.520 7.559 1.00 1.00 C ATOM 453 NZ LYS A 31 86.703 14.062 6.769 1.00 1.00 N ATOM 0 H LYS A 31 87.187 9.549 6.211 1.00 1.00 H new ATOM 0 HA LYS A 31 89.337 9.996 5.540 1.00 1.00 H new ATOM 0 HB2 LYS A 31 89.579 10.913 8.449 1.00 1.00 H new ATOM 0 HB3 LYS A 31 90.631 11.407 7.138 1.00 1.00 H new ATOM 0 HG2 LYS A 31 88.880 12.612 6.021 1.00 1.00 H new ATOM 0 HG3 LYS A 31 87.619 11.791 6.919 1.00 1.00 H new ATOM 0 HD2 LYS A 31 88.233 12.940 8.991 1.00 1.00 H new ATOM 0 HD3 LYS A 31 89.695 13.584 8.270 1.00 1.00 H new ATOM 0 HE2 LYS A 31 87.553 15.126 8.403 1.00 1.00 H new ATOM 0 HE3 LYS A 31 88.522 15.151 6.944 1.00 1.00 H new ATOM 0 HZ1 LYS A 31 86.047 14.857 6.631 1.00 1.00 H new ATOM 0 HZ2 LYS A 31 87.021 13.711 5.843 1.00 1.00 H new ATOM 0 HZ3 LYS A 31 86.218 13.298 7.281 1.00 1.00 H new ATOM 467 N GLN A 32 89.748 7.535 7.290 1.00 1.00 N ATOM 468 CA GLN A 32 90.655 6.422 7.684 1.00 1.00 C ATOM 469 C GLN A 32 91.550 6.056 6.500 1.00 1.00 C ATOM 470 O GLN A 32 92.694 5.683 6.665 1.00 1.00 O ATOM 471 CB GLN A 32 89.822 5.204 8.100 1.00 1.00 C ATOM 472 CG GLN A 32 90.743 4.002 8.318 1.00 1.00 C ATOM 473 CD GLN A 32 91.875 4.391 9.270 1.00 1.00 C ATOM 474 OE1 GLN A 32 91.631 4.882 10.354 1.00 1.00 O ATOM 475 NE2 GLN A 32 93.113 4.192 8.909 1.00 1.00 N ATOM 0 H GLN A 32 88.756 7.299 7.264 1.00 1.00 H new ATOM 0 HA GLN A 32 91.275 6.735 8.524 1.00 1.00 H new ATOM 0 HB2 GLN A 32 89.271 5.423 9.014 1.00 1.00 H new ATOM 0 HB3 GLN A 32 89.085 4.975 7.330 1.00 1.00 H new ATOM 0 HG2 GLN A 32 90.177 3.167 8.731 1.00 1.00 H new ATOM 0 HG3 GLN A 32 91.154 3.668 7.365 1.00 1.00 H new ATOM 0 HE21 GLN A 32 93.319 3.780 7.999 1.00 1.00 H new ATOM 0 HE22 GLN A 32 93.875 4.449 9.537 1.00 1.00 H new ATOM 484 N ARG A 33 91.033 6.163 5.311 1.00 1.00 N ATOM 485 CA ARG A 33 91.843 5.826 4.104 1.00 1.00 C ATOM 486 C ARG A 33 92.545 4.483 4.316 1.00 1.00 C ATOM 487 O ARG A 33 93.564 4.400 4.972 1.00 1.00 O ATOM 488 CB ARG A 33 92.887 6.917 3.867 1.00 1.00 C ATOM 489 CG ARG A 33 93.569 6.688 2.517 1.00 1.00 C ATOM 490 CD ARG A 33 94.602 7.789 2.273 1.00 1.00 C ATOM 491 NE ARG A 33 95.506 7.892 3.453 1.00 1.00 N ATOM 492 CZ ARG A 33 96.422 6.984 3.655 1.00 1.00 C ATOM 493 NH1 ARG A 33 96.547 5.987 2.823 1.00 1.00 N ATOM 494 NH2 ARG A 33 97.214 7.075 4.688 1.00 1.00 N ATOM 0 H ARG A 33 90.080 6.471 5.119 1.00 1.00 H new ATOM 0 HA ARG A 33 91.187 5.758 3.236 1.00 1.00 H new ATOM 0 HB2 ARG A 33 92.413 7.898 3.885 1.00 1.00 H new ATOM 0 HB3 ARG A 33 93.628 6.906 4.667 1.00 1.00 H new ATOM 0 HG2 ARG A 33 94.053 5.711 2.503 1.00 1.00 H new ATOM 0 HG3 ARG A 33 92.827 6.687 1.718 1.00 1.00 H new ATOM 0 HD2 ARG A 33 95.181 7.567 1.376 1.00 1.00 H new ATOM 0 HD3 ARG A 33 94.101 8.741 2.101 1.00 1.00 H new ATOM 0 HE ARG A 33 95.409 8.672 4.103 1.00 1.00 H new ATOM 0 HH11 ARG A 33 95.929 5.917 2.015 1.00 1.00 H new ATOM 0 HH12 ARG A 33 97.263 5.278 2.981 1.00 1.00 H new ATOM 0 HH21 ARG A 33 97.117 7.855 5.338 1.00 1.00 H new ATOM 0 HH22 ARG A 33 97.930 6.366 4.846 1.00 1.00 H new ATOM 508 N GLN A 34 92.005 3.431 3.763 1.00 1.00 N ATOM 509 CA GLN A 34 92.632 2.087 3.928 1.00 1.00 C ATOM 510 C GLN A 34 92.697 1.385 2.568 1.00 1.00 C ATOM 511 O GLN A 34 92.471 1.988 1.537 1.00 1.00 O ATOM 512 CB GLN A 34 91.797 1.250 4.907 1.00 1.00 C ATOM 513 CG GLN A 34 90.332 1.684 4.829 1.00 1.00 C ATOM 514 CD GLN A 34 89.838 1.558 3.387 1.00 1.00 C ATOM 515 OE1 GLN A 34 90.220 2.332 2.532 1.00 1.00 O ATOM 516 NE2 GLN A 34 88.998 0.609 3.078 1.00 1.00 N ATOM 0 H GLN A 34 91.153 3.444 3.202 1.00 1.00 H new ATOM 0 HA GLN A 34 93.642 2.200 4.323 1.00 1.00 H new ATOM 0 HB2 GLN A 34 91.887 0.191 4.665 1.00 1.00 H new ATOM 0 HB3 GLN A 34 92.172 1.378 5.923 1.00 1.00 H new ATOM 0 HG2 GLN A 34 89.723 1.066 5.488 1.00 1.00 H new ATOM 0 HG3 GLN A 34 90.228 2.714 5.171 1.00 1.00 H new ATOM 0 HE21 GLN A 34 88.677 -0.041 3.795 1.00 1.00 H new ATOM 0 HE22 GLN A 34 88.662 0.517 2.119 1.00 1.00 H new ATOM 525 N THR A 35 93.010 0.117 2.558 1.00 1.00 N ATOM 526 CA THR A 35 93.095 -0.622 1.266 1.00 1.00 C ATOM 527 C THR A 35 91.874 -0.296 0.406 1.00 1.00 C ATOM 528 O THR A 35 90.843 -0.933 0.507 1.00 1.00 O ATOM 529 CB THR A 35 93.137 -2.127 1.541 1.00 1.00 C ATOM 530 OG1 THR A 35 91.872 -2.553 2.027 1.00 1.00 O ATOM 531 CG2 THR A 35 94.215 -2.428 2.584 1.00 1.00 C ATOM 0 H THR A 35 93.211 -0.439 3.389 1.00 1.00 H new ATOM 0 HA THR A 35 94.000 -0.322 0.738 1.00 1.00 H new ATOM 0 HB THR A 35 93.370 -2.659 0.619 1.00 1.00 H new ATOM 0 HG1 THR A 35 91.193 -2.421 1.333 1.00 1.00 H new ATOM 0 HG21 THR A 35 94.244 -3.500 2.779 1.00 1.00 H new ATOM 0 HG22 THR A 35 95.185 -2.101 2.209 1.00 1.00 H new ATOM 0 HG23 THR A 35 93.985 -1.897 3.508 1.00 1.00 H new ATOM 539 N ARG A 36 91.980 0.690 -0.442 1.00 1.00 N ATOM 540 CA ARG A 36 90.826 1.054 -1.310 1.00 1.00 C ATOM 541 C ARG A 36 90.248 -0.213 -1.943 1.00 1.00 C ATOM 542 O ARG A 36 89.116 -0.240 -2.382 1.00 1.00 O ATOM 543 CB ARG A 36 91.296 2.009 -2.410 1.00 1.00 C ATOM 544 CG ARG A 36 92.011 3.204 -1.777 1.00 1.00 C ATOM 545 CD ARG A 36 92.387 4.211 -2.866 1.00 1.00 C ATOM 546 NE ARG A 36 92.937 5.443 -2.235 1.00 1.00 N ATOM 547 CZ ARG A 36 94.150 5.444 -1.753 1.00 1.00 C ATOM 548 NH1 ARG A 36 94.881 4.365 -1.824 1.00 1.00 N ATOM 549 NH2 ARG A 36 94.632 6.523 -1.201 1.00 1.00 N ATOM 0 H ARG A 36 92.817 1.259 -0.571 1.00 1.00 H new ATOM 0 HA ARG A 36 90.058 1.543 -0.711 1.00 1.00 H new ATOM 0 HB2 ARG A 36 91.968 1.490 -3.094 1.00 1.00 H new ATOM 0 HB3 ARG A 36 90.444 2.351 -2.998 1.00 1.00 H new ATOM 0 HG2 ARG A 36 91.365 3.677 -1.037 1.00 1.00 H new ATOM 0 HG3 ARG A 36 92.906 2.869 -1.252 1.00 1.00 H new ATOM 0 HD2 ARG A 36 93.124 3.775 -3.541 1.00 1.00 H new ATOM 0 HD3 ARG A 36 91.511 4.457 -3.467 1.00 1.00 H new ATOM 0 HE ARG A 36 92.366 6.286 -2.180 1.00 1.00 H new ATOM 0 HH11 ARG A 36 94.504 3.521 -2.256 1.00 1.00 H new ATOM 0 HH12 ARG A 36 95.829 4.366 -1.447 1.00 1.00 H new ATOM 0 HH21 ARG A 36 94.061 7.366 -1.146 1.00 1.00 H new ATOM 0 HH22 ARG A 36 95.580 6.523 -0.824 1.00 1.00 H new ATOM 563 N GLN A 37 91.018 -1.267 -1.989 1.00 1.00 N ATOM 564 CA GLN A 37 90.512 -2.533 -2.590 1.00 1.00 C ATOM 565 C GLN A 37 89.624 -3.255 -1.575 1.00 1.00 C ATOM 566 O GLN A 37 88.983 -2.637 -0.748 1.00 1.00 O ATOM 567 CB GLN A 37 91.694 -3.429 -2.965 1.00 1.00 C ATOM 568 CG GLN A 37 92.665 -2.649 -3.854 1.00 1.00 C ATOM 569 CD GLN A 37 93.481 -1.683 -2.994 1.00 1.00 C ATOM 570 OE1 GLN A 37 93.514 -1.806 -1.785 1.00 1.00 O ATOM 571 NE2 GLN A 37 94.147 -0.719 -3.569 1.00 1.00 N ATOM 0 H GLN A 37 91.974 -1.305 -1.637 1.00 1.00 H new ATOM 0 HA GLN A 37 89.933 -2.306 -3.485 1.00 1.00 H new ATOM 0 HB2 GLN A 37 92.204 -3.772 -2.065 1.00 1.00 H new ATOM 0 HB3 GLN A 37 91.339 -4.317 -3.488 1.00 1.00 H new ATOM 0 HG2 GLN A 37 93.329 -3.337 -4.376 1.00 1.00 H new ATOM 0 HG3 GLN A 37 92.114 -2.098 -4.616 1.00 1.00 H new ATOM 0 HE21 GLN A 37 94.120 -0.615 -4.583 1.00 1.00 H new ATOM 0 HE22 GLN A 37 94.694 -0.070 -3.004 1.00 1.00 H new ATOM 580 N CYS A 38 89.579 -4.558 -1.630 1.00 1.00 N ATOM 581 CA CYS A 38 88.730 -5.314 -0.666 1.00 1.00 C ATOM 582 C CYS A 38 88.975 -6.815 -0.839 1.00 1.00 C ATOM 583 O CYS A 38 89.076 -7.313 -1.943 1.00 1.00 O ATOM 584 CB CYS A 38 87.255 -4.999 -0.932 1.00 1.00 C ATOM 585 SG CYS A 38 86.337 -5.048 0.627 1.00 1.00 S ATOM 0 H CYS A 38 90.092 -5.131 -2.300 1.00 1.00 H new ATOM 0 HA CYS A 38 88.985 -5.022 0.353 1.00 1.00 H new ATOM 0 HB2 CYS A 38 87.159 -4.015 -1.392 1.00 1.00 H new ATOM 0 HB3 CYS A 38 86.839 -5.721 -1.634 1.00 1.00 H new ATOM 590 N LYS A 39 89.071 -7.539 0.243 1.00 1.00 N ATOM 591 CA LYS A 39 89.309 -9.007 0.140 1.00 1.00 C ATOM 592 C LYS A 39 90.435 -9.272 -0.863 1.00 1.00 C ATOM 593 O LYS A 39 91.555 -8.838 -0.678 1.00 1.00 O ATOM 594 CB LYS A 39 88.026 -9.705 -0.331 1.00 1.00 C ATOM 595 CG LYS A 39 87.022 -9.767 0.822 1.00 1.00 C ATOM 596 CD LYS A 39 86.337 -8.407 0.976 1.00 1.00 C ATOM 597 CE LYS A 39 86.476 -7.926 2.421 1.00 1.00 C ATOM 598 NZ LYS A 39 85.573 -6.763 2.647 1.00 1.00 N ATOM 0 H LYS A 39 88.995 -7.177 1.194 1.00 1.00 H new ATOM 0 HA LYS A 39 89.594 -9.397 1.117 1.00 1.00 H new ATOM 0 HB2 LYS A 39 87.594 -9.165 -1.174 1.00 1.00 H new ATOM 0 HB3 LYS A 39 88.255 -10.711 -0.681 1.00 1.00 H new ATOM 0 HG2 LYS A 39 86.279 -10.541 0.630 1.00 1.00 H new ATOM 0 HG3 LYS A 39 87.531 -10.037 1.747 1.00 1.00 H new ATOM 0 HD2 LYS A 39 86.786 -7.683 0.296 1.00 1.00 H new ATOM 0 HD3 LYS A 39 85.284 -8.486 0.708 1.00 1.00 H new ATOM 0 HE2 LYS A 39 86.226 -8.733 3.110 1.00 1.00 H new ATOM 0 HE3 LYS A 39 87.509 -7.643 2.623 1.00 1.00 H new ATOM 0 HZ1 LYS A 39 85.617 -6.479 3.646 1.00 1.00 H new ATOM 0 HZ2 LYS A 39 85.874 -5.968 2.047 1.00 1.00 H new ATOM 0 HZ3 LYS A 39 84.597 -7.029 2.405 1.00 1.00 H new ATOM 612 N SER A 40 90.148 -9.979 -1.924 1.00 1.00 N ATOM 613 CA SER A 40 91.202 -10.271 -2.939 1.00 1.00 C ATOM 614 C SER A 40 90.722 -11.398 -3.858 1.00 1.00 C ATOM 615 O SER A 40 91.501 -12.016 -4.556 1.00 1.00 O ATOM 616 CB SER A 40 92.493 -10.700 -2.233 1.00 1.00 C ATOM 617 OG SER A 40 93.316 -9.560 -2.030 1.00 1.00 O ATOM 0 H SER A 40 89.228 -10.367 -2.132 1.00 1.00 H new ATOM 0 HA SER A 40 91.396 -9.376 -3.529 1.00 1.00 H new ATOM 0 HB2 SER A 40 92.260 -11.170 -1.277 1.00 1.00 H new ATOM 0 HB3 SER A 40 93.020 -11.442 -2.833 1.00 1.00 H new ATOM 0 HG SER A 40 92.835 -8.903 -1.485 1.00 1.00 H new ATOM 623 N LYS A 41 89.445 -11.673 -3.865 1.00 1.00 N ATOM 624 CA LYS A 41 88.923 -12.762 -4.739 1.00 1.00 C ATOM 625 C LYS A 41 88.579 -12.186 -6.118 1.00 1.00 C ATOM 626 O LYS A 41 88.165 -11.050 -6.232 1.00 1.00 O ATOM 627 CB LYS A 41 87.663 -13.360 -4.107 1.00 1.00 C ATOM 628 CG LYS A 41 87.866 -13.498 -2.597 1.00 1.00 C ATOM 629 CD LYS A 41 86.759 -14.376 -2.011 1.00 1.00 C ATOM 630 CE LYS A 41 86.703 -14.184 -0.494 1.00 1.00 C ATOM 631 NZ LYS A 41 88.086 -14.025 0.038 1.00 1.00 N ATOM 0 H LYS A 41 88.742 -11.191 -3.304 1.00 1.00 H new ATOM 0 HA LYS A 41 89.680 -13.539 -4.847 1.00 1.00 H new ATOM 0 HB2 LYS A 41 86.803 -12.723 -4.312 1.00 1.00 H new ATOM 0 HB3 LYS A 41 87.450 -14.334 -4.547 1.00 1.00 H new ATOM 0 HG2 LYS A 41 88.842 -13.938 -2.389 1.00 1.00 H new ATOM 0 HG3 LYS A 41 87.853 -12.515 -2.126 1.00 1.00 H new ATOM 0 HD2 LYS A 41 85.799 -14.115 -2.457 1.00 1.00 H new ATOM 0 HD3 LYS A 41 86.947 -15.423 -2.249 1.00 1.00 H new ATOM 0 HE2 LYS A 41 86.105 -13.306 -0.250 1.00 1.00 H new ATOM 0 HE3 LYS A 41 86.218 -15.041 -0.026 1.00 1.00 H new ATOM 0 HZ1 LYS A 41 88.095 -14.248 1.054 1.00 1.00 H new ATOM 0 HZ2 LYS A 41 88.728 -14.671 -0.464 1.00 1.00 H new ATOM 0 HZ3 LYS A 41 88.402 -13.044 -0.103 1.00 1.00 H new ATOM 645 N PRO A 42 88.744 -12.963 -7.160 1.00 1.00 N ATOM 646 CA PRO A 42 88.439 -12.512 -8.550 1.00 1.00 C ATOM 647 C PRO A 42 86.927 -12.409 -8.802 1.00 1.00 C ATOM 648 O PRO A 42 86.145 -13.106 -8.187 1.00 1.00 O ATOM 649 CB PRO A 42 89.058 -13.605 -9.428 1.00 1.00 C ATOM 650 CG PRO A 42 89.068 -14.829 -8.574 1.00 1.00 C ATOM 651 CD PRO A 42 89.233 -14.351 -7.129 1.00 1.00 C ATOM 0 HA PRO A 42 88.834 -11.517 -8.754 1.00 1.00 H new ATOM 0 HB2 PRO A 42 88.473 -13.761 -10.334 1.00 1.00 H new ATOM 0 HB3 PRO A 42 90.066 -13.335 -9.742 1.00 1.00 H new ATOM 0 HG2 PRO A 42 88.142 -15.392 -8.693 1.00 1.00 H new ATOM 0 HG3 PRO A 42 89.884 -15.493 -8.858 1.00 1.00 H new ATOM 0 HD2 PRO A 42 88.655 -14.963 -6.437 1.00 1.00 H new ATOM 0 HD3 PRO A 42 90.273 -14.402 -6.807 1.00 1.00 H new ATOM 659 N PRO A 43 86.519 -11.549 -9.701 1.00 1.00 N ATOM 660 CA PRO A 43 85.077 -11.360 -10.038 1.00 1.00 C ATOM 661 C PRO A 43 84.543 -12.479 -10.938 1.00 1.00 C ATOM 662 O PRO A 43 85.278 -13.085 -11.692 1.00 1.00 O ATOM 663 CB PRO A 43 85.063 -10.023 -10.780 1.00 1.00 C ATOM 664 CG PRO A 43 86.407 -9.931 -11.424 1.00 1.00 C ATOM 665 CD PRO A 43 87.384 -10.663 -10.498 1.00 1.00 C ATOM 0 HA PRO A 43 84.441 -11.378 -9.153 1.00 1.00 H new ATOM 0 HB2 PRO A 43 84.265 -9.991 -11.522 1.00 1.00 H new ATOM 0 HB3 PRO A 43 84.895 -9.192 -10.095 1.00 1.00 H new ATOM 0 HG2 PRO A 43 86.395 -10.387 -12.414 1.00 1.00 H new ATOM 0 HG3 PRO A 43 86.703 -8.890 -11.556 1.00 1.00 H new ATOM 0 HD2 PRO A 43 88.123 -11.230 -11.064 1.00 1.00 H new ATOM 0 HD3 PRO A 43 87.933 -9.966 -9.865 1.00 1.00 H new ATOM 673 N LYS A 44 83.267 -12.755 -10.870 1.00 1.00 N ATOM 674 CA LYS A 44 82.690 -13.831 -11.727 1.00 1.00 C ATOM 675 C LYS A 44 82.127 -13.216 -13.010 1.00 1.00 C ATOM 676 O LYS A 44 82.112 -13.837 -14.053 1.00 1.00 O ATOM 677 CB LYS A 44 81.563 -14.544 -10.973 1.00 1.00 C ATOM 678 CG LYS A 44 82.023 -14.879 -9.553 1.00 1.00 C ATOM 679 CD LYS A 44 81.442 -13.858 -8.573 1.00 1.00 C ATOM 680 CE LYS A 44 80.001 -14.242 -8.231 1.00 1.00 C ATOM 681 NZ LYS A 44 80.005 -15.305 -7.187 1.00 1.00 N ATOM 0 H LYS A 44 82.601 -12.282 -10.259 1.00 1.00 H new ATOM 0 HA LYS A 44 83.472 -14.549 -11.976 1.00 1.00 H new ATOM 0 HB2 LYS A 44 80.677 -13.909 -10.938 1.00 1.00 H new ATOM 0 HB3 LYS A 44 81.281 -15.456 -11.499 1.00 1.00 H new ATOM 0 HG2 LYS A 44 81.699 -15.884 -9.282 1.00 1.00 H new ATOM 0 HG3 LYS A 44 83.112 -14.870 -9.501 1.00 1.00 H new ATOM 0 HD2 LYS A 44 82.046 -13.824 -7.666 1.00 1.00 H new ATOM 0 HD3 LYS A 44 81.470 -12.861 -9.012 1.00 1.00 H new ATOM 0 HE2 LYS A 44 79.456 -13.369 -7.874 1.00 1.00 H new ATOM 0 HE3 LYS A 44 79.486 -14.596 -9.124 1.00 1.00 H new ATOM 0 HZ1 LYS A 44 79.157 -15.898 -7.292 1.00 1.00 H new ATOM 0 HZ2 LYS A 44 80.855 -15.894 -7.295 1.00 1.00 H new ATOM 0 HZ3 LYS A 44 80.006 -14.866 -6.244 1.00 1.00 H new ATOM 695 N LYS A 45 81.659 -11.999 -12.940 1.00 1.00 N ATOM 696 CA LYS A 45 81.093 -11.349 -14.155 1.00 1.00 C ATOM 697 C LYS A 45 81.004 -9.836 -13.922 1.00 1.00 C ATOM 698 O LYS A 45 80.946 -9.057 -14.852 1.00 1.00 O ATOM 699 CB LYS A 45 79.690 -11.924 -14.423 1.00 1.00 C ATOM 700 CG LYS A 45 79.547 -12.267 -15.907 1.00 1.00 C ATOM 701 CD LYS A 45 79.303 -10.986 -16.707 1.00 1.00 C ATOM 702 CE LYS A 45 77.968 -10.368 -16.285 1.00 1.00 C ATOM 703 NZ LYS A 45 77.091 -11.426 -15.710 1.00 1.00 N ATOM 0 H LYS A 45 81.644 -11.428 -12.095 1.00 1.00 H new ATOM 0 HA LYS A 45 81.733 -11.541 -15.016 1.00 1.00 H new ATOM 0 HB2 LYS A 45 79.530 -12.816 -13.817 1.00 1.00 H new ATOM 0 HB3 LYS A 45 78.928 -11.200 -14.132 1.00 1.00 H new ATOM 0 HG2 LYS A 45 80.448 -12.765 -16.264 1.00 1.00 H new ATOM 0 HG3 LYS A 45 78.720 -12.962 -16.052 1.00 1.00 H new ATOM 0 HD2 LYS A 45 80.114 -10.278 -16.536 1.00 1.00 H new ATOM 0 HD3 LYS A 45 79.292 -11.207 -17.774 1.00 1.00 H new ATOM 0 HE2 LYS A 45 78.136 -9.581 -15.550 1.00 1.00 H new ATOM 0 HE3 LYS A 45 77.482 -9.905 -17.144 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 76.113 -11.076 -15.659 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 77.125 -12.272 -16.314 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 77.422 -11.670 -14.755 1.00 1.00 H new ATOM 717 N GLY A 46 80.994 -9.417 -12.687 1.00 1.00 N ATOM 718 CA GLY A 46 80.910 -7.957 -12.397 1.00 1.00 C ATOM 719 C GLY A 46 82.254 -7.295 -12.707 1.00 1.00 C ATOM 720 O GLY A 46 82.634 -6.322 -12.087 1.00 1.00 O ATOM 0 H GLY A 46 81.040 -10.021 -11.866 1.00 1.00 H new ATOM 0 HA2 GLY A 46 80.122 -7.501 -12.996 1.00 1.00 H new ATOM 0 HA3 GLY A 46 80.647 -7.798 -11.351 1.00 1.00 H new ATOM 724 N VAL A 47 82.976 -7.814 -13.663 1.00 1.00 N ATOM 725 CA VAL A 47 84.296 -7.215 -14.014 1.00 1.00 C ATOM 726 C VAL A 47 85.088 -6.944 -12.731 1.00 1.00 C ATOM 727 O VAL A 47 84.820 -7.517 -11.694 1.00 1.00 O ATOM 728 CB VAL A 47 84.078 -5.900 -14.778 1.00 1.00 C ATOM 729 CG1 VAL A 47 85.209 -5.702 -15.789 1.00 1.00 C ATOM 730 CG2 VAL A 47 82.740 -5.958 -15.518 1.00 1.00 C ATOM 0 H VAL A 47 82.709 -8.628 -14.217 1.00 1.00 H new ATOM 0 HA VAL A 47 84.855 -7.907 -14.645 1.00 1.00 H new ATOM 0 HB VAL A 47 84.071 -5.068 -14.074 1.00 1.00 H new ATOM 0 HG11 VAL A 47 85.054 -4.769 -16.331 1.00 1.00 H new ATOM 0 HG12 VAL A 47 86.163 -5.662 -15.264 1.00 1.00 H new ATOM 0 HG13 VAL A 47 85.217 -6.534 -16.494 1.00 1.00 H new ATOM 0 HG21 VAL A 47 82.584 -5.026 -16.061 1.00 1.00 H new ATOM 0 HG22 VAL A 47 82.749 -6.790 -16.222 1.00 1.00 H new ATOM 0 HG23 VAL A 47 81.933 -6.099 -14.799 1.00 1.00 H new ATOM 740 N GLN A 48 86.059 -6.073 -12.790 1.00 1.00 N ATOM 741 CA GLN A 48 86.862 -5.769 -11.572 1.00 1.00 C ATOM 742 C GLN A 48 85.922 -5.495 -10.396 1.00 1.00 C ATOM 743 O GLN A 48 85.493 -4.380 -10.179 1.00 1.00 O ATOM 744 CB GLN A 48 87.731 -4.536 -11.829 1.00 1.00 C ATOM 745 CG GLN A 48 88.777 -4.409 -10.720 1.00 1.00 C ATOM 746 CD GLN A 48 89.453 -3.039 -10.809 1.00 1.00 C ATOM 747 OE1 GLN A 48 89.467 -2.423 -11.857 1.00 1.00 O ATOM 748 NE2 GLN A 48 90.017 -2.533 -9.747 1.00 1.00 N ATOM 0 H GLN A 48 86.330 -5.559 -13.628 1.00 1.00 H new ATOM 0 HA GLN A 48 87.500 -6.620 -11.336 1.00 1.00 H new ATOM 0 HB2 GLN A 48 88.222 -4.620 -12.799 1.00 1.00 H new ATOM 0 HB3 GLN A 48 87.110 -3.641 -11.862 1.00 1.00 H new ATOM 0 HG2 GLN A 48 88.305 -4.531 -9.745 1.00 1.00 H new ATOM 0 HG3 GLN A 48 89.521 -5.200 -10.815 1.00 1.00 H new ATOM 0 HE21 GLN A 48 90.005 -3.050 -8.868 1.00 1.00 H new ATOM 0 HE22 GLN A 48 90.470 -1.620 -9.796 1.00 1.00 H new ATOM 757 N GLY A 49 85.598 -6.506 -9.636 1.00 1.00 N ATOM 758 CA GLY A 49 84.684 -6.306 -8.474 1.00 1.00 C ATOM 759 C GLY A 49 85.509 -6.061 -7.210 1.00 1.00 C ATOM 760 O GLY A 49 84.986 -6.052 -6.113 1.00 1.00 O ATOM 0 H GLY A 49 85.927 -7.462 -9.769 1.00 1.00 H new ATOM 0 HA2 GLY A 49 84.023 -5.459 -8.659 1.00 1.00 H new ATOM 0 HA3 GLY A 49 84.049 -7.182 -8.342 1.00 1.00 H new ATOM 764 N CYS A 50 86.795 -5.862 -7.358 1.00 1.00 N ATOM 765 CA CYS A 50 87.670 -5.617 -6.174 1.00 1.00 C ATOM 766 C CYS A 50 87.197 -6.472 -4.996 1.00 1.00 C ATOM 767 O CYS A 50 87.376 -6.117 -3.848 1.00 1.00 O ATOM 768 CB CYS A 50 87.610 -4.136 -5.788 1.00 1.00 C ATOM 769 SG CYS A 50 85.882 -3.622 -5.628 1.00 1.00 S ATOM 0 H CYS A 50 87.278 -5.859 -8.256 1.00 1.00 H new ATOM 0 HA CYS A 50 88.696 -5.885 -6.425 1.00 1.00 H new ATOM 0 HB2 CYS A 50 88.137 -3.973 -4.848 1.00 1.00 H new ATOM 0 HB3 CYS A 50 88.112 -3.532 -6.544 1.00 1.00 H new ATOM 774 N GLY A 51 86.594 -7.598 -5.274 1.00 1.00 N ATOM 775 CA GLY A 51 86.104 -8.484 -4.176 1.00 1.00 C ATOM 776 C GLY A 51 84.695 -8.975 -4.512 1.00 1.00 C ATOM 777 O GLY A 51 83.836 -8.207 -4.895 1.00 1.00 O ATOM 0 H GLY A 51 86.419 -7.944 -6.218 1.00 1.00 H new ATOM 0 HA2 GLY A 51 86.777 -9.332 -4.050 1.00 1.00 H new ATOM 0 HA3 GLY A 51 86.096 -7.941 -3.231 1.00 1.00 H new ATOM 781 N ASP A 52 84.453 -10.253 -4.372 1.00 1.00 N ATOM 782 CA ASP A 52 83.100 -10.803 -4.683 1.00 1.00 C ATOM 783 C ASP A 52 82.479 -11.385 -3.412 1.00 1.00 C ATOM 784 O ASP A 52 82.734 -10.921 -2.318 1.00 1.00 O ATOM 785 CB ASP A 52 83.232 -11.906 -5.735 1.00 1.00 C ATOM 786 CG ASP A 52 84.086 -13.046 -5.177 1.00 1.00 C ATOM 787 OD1 ASP A 52 84.487 -12.952 -4.028 1.00 1.00 O ATOM 788 OD2 ASP A 52 84.325 -13.993 -5.908 1.00 1.00 O ATOM 0 H ASP A 52 85.136 -10.941 -4.055 1.00 1.00 H new ATOM 0 HA ASP A 52 82.462 -10.006 -5.065 1.00 1.00 H new ATOM 0 HB2 ASP A 52 82.246 -12.279 -6.012 1.00 1.00 H new ATOM 0 HB3 ASP A 52 83.688 -11.506 -6.641 1.00 1.00 H new ATOM 793 N ASP A 53 81.664 -12.397 -3.551 1.00 1.00 N ATOM 794 CA ASP A 53 81.020 -13.016 -2.356 1.00 1.00 C ATOM 795 C ASP A 53 80.266 -11.945 -1.564 1.00 1.00 C ATOM 796 O ASP A 53 80.504 -10.764 -1.714 1.00 1.00 O ATOM 797 CB ASP A 53 82.090 -13.655 -1.468 1.00 1.00 C ATOM 798 CG ASP A 53 82.651 -14.899 -2.160 1.00 1.00 C ATOM 799 OD1 ASP A 53 82.771 -14.874 -3.374 1.00 1.00 O ATOM 800 OD2 ASP A 53 82.950 -15.856 -1.464 1.00 1.00 O ATOM 0 H ASP A 53 81.416 -12.823 -4.444 1.00 1.00 H new ATOM 0 HA ASP A 53 80.318 -13.783 -2.683 1.00 1.00 H new ATOM 0 HB2 ASP A 53 82.891 -12.941 -1.274 1.00 1.00 H new ATOM 0 HB3 ASP A 53 81.663 -13.925 -0.502 1.00 1.00 H new ATOM 805 N ILE A 54 79.356 -12.350 -0.719 1.00 1.00 N ATOM 806 CA ILE A 54 78.587 -11.357 0.084 1.00 1.00 C ATOM 807 C ILE A 54 79.304 -11.137 1.426 1.00 1.00 C ATOM 808 O ILE A 54 79.490 -12.066 2.186 1.00 1.00 O ATOM 809 CB ILE A 54 77.170 -11.894 0.343 1.00 1.00 C ATOM 810 CG1 ILE A 54 77.211 -13.422 0.415 1.00 1.00 C ATOM 811 CG2 ILE A 54 76.244 -11.464 -0.796 1.00 1.00 C ATOM 812 CD1 ILE A 54 77.023 -14.005 -0.986 1.00 1.00 C ATOM 0 H ILE A 54 79.112 -13.326 -0.550 1.00 1.00 H new ATOM 0 HA ILE A 54 78.522 -10.414 -0.459 1.00 1.00 H new ATOM 0 HB ILE A 54 76.797 -11.493 1.285 1.00 1.00 H new ATOM 0 HG12 ILE A 54 78.162 -13.751 0.833 1.00 1.00 H new ATOM 0 HG13 ILE A 54 76.428 -13.786 1.080 1.00 1.00 H new ATOM 0 HG21 ILE A 54 75.240 -11.845 -0.612 1.00 1.00 H new ATOM 0 HG22 ILE A 54 76.215 -10.376 -0.850 1.00 1.00 H new ATOM 0 HG23 ILE A 54 76.617 -11.864 -1.739 1.00 1.00 H new ATOM 0 HD11 ILE A 54 77.052 -15.093 -0.934 1.00 1.00 H new ATOM 0 HD12 ILE A 54 76.061 -13.687 -1.386 1.00 1.00 H new ATOM 0 HD13 ILE A 54 77.822 -13.651 -1.638 1.00 1.00 H new ATOM 824 N PRO A 55 79.708 -9.923 1.722 1.00 1.00 N ATOM 825 CA PRO A 55 80.413 -9.608 2.998 1.00 1.00 C ATOM 826 C PRO A 55 79.448 -9.532 4.187 1.00 1.00 C ATOM 827 O PRO A 55 79.498 -8.618 4.985 1.00 1.00 O ATOM 828 CB PRO A 55 81.051 -8.244 2.726 1.00 1.00 C ATOM 829 CG PRO A 55 80.160 -7.598 1.716 1.00 1.00 C ATOM 830 CD PRO A 55 79.541 -8.725 0.883 1.00 1.00 C ATOM 0 HA PRO A 55 81.136 -10.378 3.270 1.00 1.00 H new ATOM 0 HB2 PRO A 55 81.113 -7.648 3.637 1.00 1.00 H new ATOM 0 HB3 PRO A 55 82.067 -8.352 2.346 1.00 1.00 H new ATOM 0 HG2 PRO A 55 79.384 -7.009 2.206 1.00 1.00 H new ATOM 0 HG3 PRO A 55 80.726 -6.915 1.082 1.00 1.00 H new ATOM 0 HD2 PRO A 55 78.490 -8.532 0.669 1.00 1.00 H new ATOM 0 HD3 PRO A 55 80.047 -8.836 -0.076 1.00 1.00 H new ATOM 838 N GLY A 56 78.572 -10.491 4.311 1.00 1.00 N ATOM 839 CA GLY A 56 77.607 -10.478 5.448 1.00 1.00 C ATOM 840 C GLY A 56 76.609 -9.332 5.264 1.00 1.00 C ATOM 841 O GLY A 56 76.777 -8.257 5.804 1.00 1.00 O ATOM 0 H GLY A 56 78.482 -11.283 3.675 1.00 1.00 H new ATOM 0 HA2 GLY A 56 77.078 -11.429 5.499 1.00 1.00 H new ATOM 0 HA3 GLY A 56 78.142 -10.360 6.390 1.00 1.00 H new ATOM 845 N MET A 57 75.568 -9.555 4.508 1.00 1.00 N ATOM 846 CA MET A 57 74.558 -8.480 4.293 1.00 1.00 C ATOM 847 C MET A 57 74.176 -7.867 5.643 1.00 1.00 C ATOM 848 O MET A 57 74.511 -6.738 5.941 1.00 1.00 O ATOM 849 CB MET A 57 73.311 -9.078 3.633 1.00 1.00 C ATOM 850 CG MET A 57 73.525 -9.166 2.121 1.00 1.00 C ATOM 851 SD MET A 57 73.376 -7.515 1.393 1.00 1.00 S ATOM 852 CE MET A 57 74.160 -7.895 -0.193 1.00 1.00 C ATOM 0 H MET A 57 75.374 -10.435 4.030 1.00 1.00 H new ATOM 0 HA MET A 57 74.977 -7.708 3.647 1.00 1.00 H new ATOM 0 HB2 MET A 57 73.111 -10.069 4.041 1.00 1.00 H new ATOM 0 HB3 MET A 57 72.440 -8.461 3.852 1.00 1.00 H new ATOM 0 HG2 MET A 57 74.509 -9.582 1.906 1.00 1.00 H new ATOM 0 HG3 MET A 57 72.791 -9.838 1.678 1.00 1.00 H new ATOM 0 HE1 MET A 57 74.176 -7.000 -0.815 1.00 1.00 H new ATOM 0 HE2 MET A 57 75.181 -8.236 -0.022 1.00 1.00 H new ATOM 0 HE3 MET A 57 73.596 -8.678 -0.699 1.00 1.00 H new ATOM 862 N GLU A 58 73.478 -8.606 6.461 1.00 1.00 N ATOM 863 CA GLU A 58 73.074 -8.071 7.791 1.00 1.00 C ATOM 864 C GLU A 58 74.292 -7.450 8.479 1.00 1.00 C ATOM 865 O GLU A 58 75.201 -8.141 8.894 1.00 1.00 O ATOM 866 CB GLU A 58 72.521 -9.214 8.650 1.00 1.00 C ATOM 867 CG GLU A 58 71.791 -10.218 7.755 1.00 1.00 C ATOM 868 CD GLU A 58 70.931 -11.142 8.619 1.00 1.00 C ATOM 869 OE1 GLU A 58 70.733 -10.821 9.779 1.00 1.00 O ATOM 870 OE2 GLU A 58 70.485 -12.155 8.106 1.00 1.00 O ATOM 0 H GLU A 58 73.170 -9.558 6.265 1.00 1.00 H new ATOM 0 HA GLU A 58 72.305 -7.310 7.664 1.00 1.00 H new ATOM 0 HB2 GLU A 58 73.333 -9.709 9.182 1.00 1.00 H new ATOM 0 HB3 GLU A 58 71.839 -8.820 9.404 1.00 1.00 H new ATOM 0 HG2 GLU A 58 71.166 -9.691 7.034 1.00 1.00 H new ATOM 0 HG3 GLU A 58 72.512 -10.803 7.184 1.00 1.00 H new ATOM 877 N GLY A 59 74.322 -6.151 8.601 1.00 1.00 N ATOM 878 CA GLY A 59 75.488 -5.496 9.261 1.00 1.00 C ATOM 879 C GLY A 59 75.113 -4.074 9.679 1.00 1.00 C ATOM 880 O GLY A 59 75.900 -3.158 9.560 1.00 1.00 O ATOM 0 H GLY A 59 73.593 -5.517 8.274 1.00 1.00 H new ATOM 0 HA2 GLY A 59 75.795 -6.073 10.134 1.00 1.00 H new ATOM 0 HA3 GLY A 59 76.338 -5.473 8.579 1.00 1.00 H new ATOM 884 N CYS A 60 73.917 -3.885 10.168 1.00 1.00 N ATOM 885 CA CYS A 60 73.482 -2.524 10.597 1.00 1.00 C ATOM 886 C CYS A 60 71.967 -2.524 10.807 1.00 1.00 C ATOM 887 O CYS A 60 71.480 -2.752 11.896 1.00 1.00 O ATOM 888 CB CYS A 60 73.846 -1.501 9.515 1.00 1.00 C ATOM 889 SG CYS A 60 75.381 -0.658 9.972 1.00 1.00 S ATOM 0 H CYS A 60 73.219 -4.619 10.289 1.00 1.00 H new ATOM 0 HA CYS A 60 73.984 -2.258 11.527 1.00 1.00 H new ATOM 0 HB2 CYS A 60 73.965 -2.000 8.553 1.00 1.00 H new ATOM 0 HB3 CYS A 60 73.041 -0.776 9.400 1.00 1.00 H new ATOM 894 N GLY A 61 71.221 -2.271 9.763 1.00 1.00 N ATOM 895 CA GLY A 61 69.734 -2.255 9.880 1.00 1.00 C ATOM 896 C GLY A 61 69.157 -3.471 9.155 1.00 1.00 C ATOM 897 O GLY A 61 68.862 -3.421 7.978 1.00 1.00 O ATOM 0 H GLY A 61 71.581 -2.074 8.829 1.00 1.00 H new ATOM 0 HA2 GLY A 61 69.440 -2.270 10.930 1.00 1.00 H new ATOM 0 HA3 GLY A 61 69.334 -1.337 9.450 1.00 1.00 H new ATOM 901 N THR A 62 68.996 -4.563 9.849 1.00 1.00 N ATOM 902 CA THR A 62 68.438 -5.785 9.201 1.00 1.00 C ATOM 903 C THR A 62 66.978 -5.538 8.811 1.00 1.00 C ATOM 904 O THR A 62 66.153 -6.429 8.860 1.00 1.00 O ATOM 905 CB THR A 62 68.511 -6.959 10.180 1.00 1.00 C ATOM 906 OG1 THR A 62 67.519 -6.798 11.184 1.00 1.00 O ATOM 907 CG2 THR A 62 69.895 -7.000 10.829 1.00 1.00 C ATOM 0 H THR A 62 69.227 -4.663 10.838 1.00 1.00 H new ATOM 0 HA THR A 62 69.018 -6.018 8.308 1.00 1.00 H new ATOM 0 HB THR A 62 68.337 -7.892 9.643 1.00 1.00 H new ATOM 0 HG1 THR A 62 67.563 -7.550 11.811 1.00 1.00 H new ATOM 0 HG21 THR A 62 69.945 -7.837 11.526 1.00 1.00 H new ATOM 0 HG22 THR A 62 70.655 -7.124 10.058 1.00 1.00 H new ATOM 0 HG23 THR A 62 70.072 -6.069 11.367 1.00 1.00 H new ATOM 915 N ASP A 63 66.652 -4.335 8.424 1.00 1.00 N ATOM 916 CA ASP A 63 65.247 -4.032 8.032 1.00 1.00 C ATOM 917 C ASP A 63 64.923 -4.728 6.709 1.00 1.00 C ATOM 918 O ASP A 63 63.845 -4.576 6.168 1.00 1.00 O ATOM 919 CB ASP A 63 65.080 -2.520 7.866 1.00 1.00 C ATOM 920 CG ASP A 63 63.592 -2.179 7.759 1.00 1.00 C ATOM 921 OD1 ASP A 63 62.797 -3.102 7.694 1.00 1.00 O ATOM 922 OD2 ASP A 63 63.274 -1.002 7.745 1.00 1.00 O ATOM 0 H ASP A 63 67.299 -3.549 8.362 1.00 1.00 H new ATOM 0 HA ASP A 63 64.569 -4.391 8.806 1.00 1.00 H new ATOM 0 HB2 ASP A 63 65.523 -1.999 8.715 1.00 1.00 H new ATOM 0 HB3 ASP A 63 65.607 -2.181 6.974 1.00 1.00 H new ATOM 927 N ILE A 64 65.842 -5.489 6.178 1.00 1.00 N ATOM 928 CA ILE A 64 65.571 -6.187 4.888 1.00 1.00 C ATOM 929 C ILE A 64 66.357 -7.496 4.821 1.00 1.00 C ATOM 930 O ILE A 64 65.857 -8.496 4.351 1.00 1.00 O ATOM 931 CB ILE A 64 65.994 -5.297 3.724 1.00 1.00 C ATOM 932 CG1 ILE A 64 65.612 -5.970 2.404 1.00 1.00 C ATOM 933 CG2 ILE A 64 67.508 -5.085 3.767 1.00 1.00 C ATOM 934 CD1 ILE A 64 64.096 -6.169 2.352 1.00 1.00 C ATOM 0 H ILE A 64 66.765 -5.657 6.579 1.00 1.00 H new ATOM 0 HA ILE A 64 64.504 -6.401 4.825 1.00 1.00 H new ATOM 0 HB ILE A 64 65.490 -4.334 3.802 1.00 1.00 H new ATOM 0 HG12 ILE A 64 65.938 -5.357 1.564 1.00 1.00 H new ATOM 0 HG13 ILE A 64 66.119 -6.931 2.313 1.00 1.00 H new ATOM 0 HG21 ILE A 64 67.810 -4.449 2.935 1.00 1.00 H new ATOM 0 HG22 ILE A 64 67.782 -4.607 4.707 1.00 1.00 H new ATOM 0 HG23 ILE A 64 68.013 -6.048 3.689 1.00 1.00 H new ATOM 0 HD11 ILE A 64 63.824 -6.648 1.412 1.00 1.00 H new ATOM 0 HD12 ILE A 64 63.783 -6.799 3.184 1.00 1.00 H new ATOM 0 HD13 ILE A 64 63.599 -5.201 2.423 1.00 1.00 H new ATOM 946 N THR A 65 67.587 -7.486 5.275 1.00 1.00 N ATOM 947 CA THR A 65 68.435 -8.720 5.237 1.00 1.00 C ATOM 948 C THR A 65 69.225 -8.768 3.926 1.00 1.00 C ATOM 949 O THR A 65 70.282 -9.363 3.856 1.00 1.00 O ATOM 950 CB THR A 65 67.560 -9.976 5.335 1.00 1.00 C ATOM 951 OG1 THR A 65 66.473 -9.726 6.214 1.00 1.00 O ATOM 952 CG2 THR A 65 68.394 -11.141 5.871 1.00 1.00 C ATOM 0 H THR A 65 68.045 -6.667 5.675 1.00 1.00 H new ATOM 0 HA THR A 65 69.121 -8.691 6.084 1.00 1.00 H new ATOM 0 HB THR A 65 67.178 -10.231 4.347 1.00 1.00 H new ATOM 0 HG1 THR A 65 65.685 -9.463 5.694 1.00 1.00 H new ATOM 0 HG21 THR A 65 67.771 -12.033 5.940 1.00 1.00 H new ATOM 0 HG22 THR A 65 69.228 -11.332 5.196 1.00 1.00 H new ATOM 0 HG23 THR A 65 68.778 -10.889 6.860 1.00 1.00 H new ATOM 960 N VAL A 66 68.718 -8.161 2.882 1.00 1.00 N ATOM 961 CA VAL A 66 69.443 -8.195 1.576 1.00 1.00 C ATOM 962 C VAL A 66 69.538 -6.790 0.972 1.00 1.00 C ATOM 963 O VAL A 66 70.581 -6.167 1.002 1.00 1.00 O ATOM 964 CB VAL A 66 68.692 -9.113 0.608 1.00 1.00 C ATOM 965 CG1 VAL A 66 69.611 -9.492 -0.555 1.00 1.00 C ATOM 966 CG2 VAL A 66 68.255 -10.381 1.345 1.00 1.00 C ATOM 0 H VAL A 66 67.838 -7.646 2.878 1.00 1.00 H new ATOM 0 HA VAL A 66 70.452 -8.571 1.744 1.00 1.00 H new ATOM 0 HB VAL A 66 67.814 -8.594 0.223 1.00 1.00 H new ATOM 0 HG11 VAL A 66 69.076 -10.146 -1.244 1.00 1.00 H new ATOM 0 HG12 VAL A 66 69.924 -8.590 -1.080 1.00 1.00 H new ATOM 0 HG13 VAL A 66 70.489 -10.011 -0.171 1.00 1.00 H new ATOM 0 HG21 VAL A 66 67.720 -11.036 0.657 1.00 1.00 H new ATOM 0 HG22 VAL A 66 69.133 -10.899 1.730 1.00 1.00 H new ATOM 0 HG23 VAL A 66 67.600 -10.113 2.174 1.00 1.00 H new ATOM 976 N ILE A 67 68.469 -6.293 0.402 1.00 1.00 N ATOM 977 CA ILE A 67 68.521 -4.932 -0.227 1.00 1.00 C ATOM 978 C ILE A 67 67.291 -4.107 0.162 1.00 1.00 C ATOM 979 O ILE A 67 66.233 -4.235 -0.422 1.00 1.00 O ATOM 980 CB ILE A 67 68.568 -5.082 -1.752 1.00 1.00 C ATOM 981 CG1 ILE A 67 69.945 -5.603 -2.170 1.00 1.00 C ATOM 982 CG2 ILE A 67 68.319 -3.722 -2.407 1.00 1.00 C ATOM 983 CD1 ILE A 67 69.861 -6.197 -3.577 1.00 1.00 C ATOM 0 H ILE A 67 67.567 -6.765 0.344 1.00 1.00 H new ATOM 0 HA ILE A 67 69.413 -4.417 0.128 1.00 1.00 H new ATOM 0 HB ILE A 67 67.799 -5.786 -2.071 1.00 1.00 H new ATOM 0 HG12 ILE A 67 70.674 -4.793 -2.149 1.00 1.00 H new ATOM 0 HG13 ILE A 67 70.289 -6.359 -1.464 1.00 1.00 H new ATOM 0 HG21 ILE A 67 68.352 -3.829 -3.491 1.00 1.00 H new ATOM 0 HG22 ILE A 67 67.339 -3.349 -2.109 1.00 1.00 H new ATOM 0 HG23 ILE A 67 69.088 -3.018 -2.088 1.00 1.00 H new ATOM 0 HD11 ILE A 67 70.842 -6.568 -3.874 1.00 1.00 H new ATOM 0 HD12 ILE A 67 69.145 -7.019 -3.583 1.00 1.00 H new ATOM 0 HD13 ILE A 67 69.536 -5.428 -4.278 1.00 1.00 H new ATOM 995 N CYS A 68 67.427 -3.257 1.142 1.00 1.00 N ATOM 996 CA CYS A 68 66.278 -2.412 1.576 1.00 1.00 C ATOM 997 C CYS A 68 65.882 -1.473 0.432 1.00 1.00 C ATOM 998 O CYS A 68 66.706 -1.088 -0.373 1.00 1.00 O ATOM 999 CB CYS A 68 66.695 -1.576 2.791 1.00 1.00 C ATOM 1000 SG CYS A 68 67.824 -0.264 2.261 1.00 1.00 S ATOM 0 H CYS A 68 68.291 -3.110 1.665 1.00 1.00 H new ATOM 0 HA CYS A 68 65.434 -3.049 1.840 1.00 1.00 H new ATOM 0 HB2 CYS A 68 65.815 -1.143 3.267 1.00 1.00 H new ATOM 0 HB3 CYS A 68 67.180 -2.210 3.533 1.00 1.00 H new ATOM 1005 N PRO A 69 64.629 -1.102 0.356 1.00 1.00 N ATOM 1006 CA PRO A 69 64.134 -0.189 -0.715 1.00 1.00 C ATOM 1007 C PRO A 69 64.789 1.195 -0.638 1.00 1.00 C ATOM 1008 O PRO A 69 64.661 2.003 -1.537 1.00 1.00 O ATOM 1009 CB PRO A 69 62.622 -0.091 -0.462 1.00 1.00 C ATOM 1010 CG PRO A 69 62.422 -0.528 0.952 1.00 1.00 C ATOM 1011 CD PRO A 69 63.554 -1.504 1.276 1.00 1.00 C ATOM 0 HA PRO A 69 64.374 -0.567 -1.709 1.00 1.00 H new ATOM 0 HB2 PRO A 69 62.265 0.928 -0.612 1.00 1.00 H new ATOM 0 HB3 PRO A 69 62.067 -0.728 -1.151 1.00 1.00 H new ATOM 0 HG2 PRO A 69 62.443 0.327 1.628 1.00 1.00 H new ATOM 0 HG3 PRO A 69 61.451 -1.007 1.075 1.00 1.00 H new ATOM 0 HD2 PRO A 69 63.866 -1.425 2.317 1.00 1.00 H new ATOM 0 HD3 PRO A 69 63.251 -2.538 1.112 1.00 1.00 H new ATOM 1019 N TRP A 70 65.497 1.473 0.425 1.00 1.00 N ATOM 1020 CA TRP A 70 66.161 2.801 0.546 1.00 1.00 C ATOM 1021 C TRP A 70 67.455 2.788 -0.271 1.00 1.00 C ATOM 1022 O TRP A 70 68.316 3.628 -0.107 1.00 1.00 O ATOM 1023 CB TRP A 70 66.482 3.086 2.018 1.00 1.00 C ATOM 1024 CG TRP A 70 67.207 4.389 2.128 1.00 1.00 C ATOM 1025 CD1 TRP A 70 66.872 5.522 1.472 1.00 1.00 C ATOM 1026 CD2 TRP A 70 68.381 4.712 2.930 1.00 1.00 C ATOM 1027 NE1 TRP A 70 67.763 6.521 1.817 1.00 1.00 N ATOM 1028 CE2 TRP A 70 68.713 6.072 2.713 1.00 1.00 C ATOM 1029 CE3 TRP A 70 69.182 3.967 3.813 1.00 1.00 C ATOM 1030 CZ2 TRP A 70 69.802 6.669 3.353 1.00 1.00 C ATOM 1031 CZ3 TRP A 70 70.276 4.564 4.456 1.00 1.00 C ATOM 1032 CH2 TRP A 70 70.586 5.911 4.228 1.00 1.00 C ATOM 0 H TRP A 70 65.643 0.840 1.211 1.00 1.00 H new ATOM 0 HA TRP A 70 65.497 3.579 0.170 1.00 1.00 H new ATOM 0 HB2 TRP A 70 65.562 3.119 2.602 1.00 1.00 H new ATOM 0 HB3 TRP A 70 67.092 2.282 2.430 1.00 1.00 H new ATOM 0 HD1 TRP A 70 66.042 5.630 0.789 1.00 1.00 H new ATOM 0 HE1 TRP A 70 67.724 7.473 1.454 1.00 1.00 H new ATOM 0 HE3 TRP A 70 68.953 2.928 3.997 1.00 1.00 H new ATOM 0 HZ2 TRP A 70 70.036 7.708 3.173 1.00 1.00 H new ATOM 0 HZ3 TRP A 70 70.884 3.981 5.132 1.00 1.00 H new ATOM 0 HH2 TRP A 70 71.430 6.364 4.728 1.00 1.00 H new ATOM 1043 N GLU A 71 67.593 1.834 -1.154 1.00 1.00 N ATOM 1044 CA GLU A 71 68.824 1.751 -1.993 1.00 1.00 C ATOM 1045 C GLU A 71 68.533 2.366 -3.366 1.00 1.00 C ATOM 1046 O GLU A 71 69.430 2.745 -4.093 1.00 1.00 O ATOM 1047 CB GLU A 71 69.219 0.273 -2.160 1.00 1.00 C ATOM 1048 CG GLU A 71 70.551 0.015 -1.453 1.00 1.00 C ATOM 1049 CD GLU A 71 71.092 -1.355 -1.867 1.00 1.00 C ATOM 1050 OE1 GLU A 71 71.442 -1.507 -3.026 1.00 1.00 O ATOM 1051 OE2 GLU A 71 71.146 -2.230 -1.018 1.00 1.00 O ATOM 0 H GLU A 71 66.902 1.105 -1.331 1.00 1.00 H new ATOM 0 HA GLU A 71 69.641 2.293 -1.517 1.00 1.00 H new ATOM 0 HB2 GLU A 71 68.444 -0.370 -1.743 1.00 1.00 H new ATOM 0 HB3 GLU A 71 69.304 0.026 -3.218 1.00 1.00 H new ATOM 0 HG2 GLU A 71 71.268 0.794 -1.711 1.00 1.00 H new ATOM 0 HG3 GLU A 71 70.414 0.052 -0.372 1.00 1.00 H new ATOM 1058 N ALA A 72 67.282 2.458 -3.727 1.00 1.00 N ATOM 1059 CA ALA A 72 66.921 3.037 -5.052 1.00 1.00 C ATOM 1060 C ALA A 72 67.492 4.451 -5.181 1.00 1.00 C ATOM 1061 O ALA A 72 67.840 4.891 -6.259 1.00 1.00 O ATOM 1062 CB ALA A 72 65.398 3.092 -5.183 1.00 1.00 C ATOM 0 H ALA A 72 66.491 2.156 -3.158 1.00 1.00 H new ATOM 0 HA ALA A 72 67.338 2.410 -5.840 1.00 1.00 H new ATOM 0 HB1 ALA A 72 65.131 3.515 -6.151 1.00 1.00 H new ATOM 0 HB2 ALA A 72 64.989 2.085 -5.102 1.00 1.00 H new ATOM 0 HB3 ALA A 72 64.987 3.715 -4.389 1.00 1.00 H new ATOM 1068 N CYS A 73 67.589 5.172 -4.098 1.00 1.00 N ATOM 1069 CA CYS A 73 68.136 6.556 -4.178 1.00 1.00 C ATOM 1070 C CYS A 73 69.465 6.533 -4.936 1.00 1.00 C ATOM 1071 O CYS A 73 70.484 6.128 -4.412 1.00 1.00 O ATOM 1072 CB CYS A 73 68.358 7.103 -2.766 1.00 1.00 C ATOM 1073 SG CYS A 73 68.825 5.749 -1.660 1.00 1.00 S ATOM 0 H CYS A 73 67.315 4.865 -3.165 1.00 1.00 H new ATOM 0 HA CYS A 73 67.429 7.197 -4.704 1.00 1.00 H new ATOM 0 HB2 CYS A 73 69.139 7.863 -2.778 1.00 1.00 H new ATOM 0 HB3 CYS A 73 67.450 7.585 -2.404 1.00 1.00 H new ATOM 1078 N ASN A 74 69.462 6.961 -6.170 1.00 1.00 N ATOM 1079 CA ASN A 74 70.722 6.961 -6.967 1.00 1.00 C ATOM 1080 C ASN A 74 71.470 8.278 -6.744 1.00 1.00 C ATOM 1081 O ASN A 74 72.237 8.416 -5.813 1.00 1.00 O ATOM 1082 CB ASN A 74 70.383 6.811 -8.453 1.00 1.00 C ATOM 1083 CG ASN A 74 69.123 7.617 -8.773 1.00 1.00 C ATOM 1084 OD1 ASN A 74 68.041 7.274 -8.339 1.00 1.00 O ATOM 1085 ND2 ASN A 74 69.217 8.683 -9.520 1.00 1.00 N ATOM 0 H ASN A 74 68.639 7.311 -6.661 1.00 1.00 H new ATOM 0 HA ASN A 74 71.352 6.130 -6.651 1.00 1.00 H new ATOM 0 HB2 ASN A 74 71.216 7.160 -9.064 1.00 1.00 H new ATOM 0 HB3 ASN A 74 70.227 5.760 -8.697 1.00 1.00 H new ATOM 0 HD21 ASN A 74 68.383 9.227 -9.739 1.00 1.00 H new ATOM 0 HD22 ASN A 74 70.125 8.972 -9.885 1.00 1.00 H new ATOM 1092 N HIS A 75 71.255 9.243 -7.597 1.00 1.00 N ATOM 1093 CA HIS A 75 71.954 10.550 -7.442 1.00 1.00 C ATOM 1094 C HIS A 75 73.466 10.335 -7.545 1.00 1.00 C ATOM 1095 O HIS A 75 74.046 9.578 -6.795 1.00 1.00 O ATOM 1096 CB HIS A 75 71.611 11.157 -6.077 1.00 1.00 C ATOM 1097 CG HIS A 75 71.931 12.626 -6.088 1.00 1.00 C ATOM 1098 ND1 HIS A 75 71.666 13.433 -7.184 1.00 1.00 N ATOM 1099 CD2 HIS A 75 72.496 13.450 -5.143 1.00 1.00 C ATOM 1100 CE1 HIS A 75 72.066 14.680 -6.878 1.00 1.00 C ATOM 1101 NE2 HIS A 75 72.577 14.744 -5.648 1.00 1.00 N ATOM 0 H HIS A 75 70.624 9.182 -8.396 1.00 1.00 H new ATOM 0 HA HIS A 75 71.631 11.231 -8.230 1.00 1.00 H new ATOM 0 HB2 HIS A 75 70.555 11.006 -5.855 1.00 1.00 H new ATOM 0 HB3 HIS A 75 72.177 10.656 -5.292 1.00 1.00 H new ATOM 0 HD2 HIS A 75 72.825 13.141 -4.162 1.00 1.00 H new ATOM 0 HE1 HIS A 75 71.984 15.525 -7.546 1.00 1.00 H new ATOM 0 HE2 HIS A 75 72.949 15.568 -5.176 1.00 1.00 H new ATOM 1110 N CYS A 76 74.104 10.999 -8.471 1.00 1.00 N ATOM 1111 CA CYS A 76 75.578 10.842 -8.632 1.00 1.00 C ATOM 1112 C CYS A 76 75.886 9.458 -9.212 1.00 1.00 C ATOM 1113 O CYS A 76 76.788 9.296 -10.009 1.00 1.00 O ATOM 1114 CB CYS A 76 76.263 11.002 -7.268 1.00 1.00 C ATOM 1115 SG CYS A 76 76.653 9.370 -6.589 1.00 1.00 S ATOM 0 H CYS A 76 73.665 11.646 -9.126 1.00 1.00 H new ATOM 0 HA CYS A 76 75.954 11.606 -9.313 1.00 1.00 H new ATOM 0 HB2 CYS A 76 77.175 11.590 -7.374 1.00 1.00 H new ATOM 0 HB3 CYS A 76 75.611 11.545 -6.584 1.00 1.00 H new ATOM 1120 N GLU A 77 75.145 8.459 -8.819 1.00 1.00 N ATOM 1121 CA GLU A 77 75.401 7.091 -9.350 1.00 1.00 C ATOM 1122 C GLU A 77 74.955 7.017 -10.812 1.00 1.00 C ATOM 1123 O GLU A 77 73.818 7.296 -11.138 1.00 1.00 O ATOM 1124 CB GLU A 77 74.616 6.069 -8.523 1.00 1.00 C ATOM 1125 CG GLU A 77 75.333 5.829 -7.193 1.00 1.00 C ATOM 1126 CD GLU A 77 76.561 4.946 -7.426 1.00 1.00 C ATOM 1127 OE1 GLU A 77 76.464 4.031 -8.227 1.00 1.00 O ATOM 1128 OE2 GLU A 77 77.576 5.201 -6.800 1.00 1.00 O ATOM 0 H GLU A 77 74.375 8.531 -8.154 1.00 1.00 H new ATOM 0 HA GLU A 77 76.466 6.870 -9.286 1.00 1.00 H new ATOM 0 HB2 GLU A 77 73.604 6.432 -8.342 1.00 1.00 H new ATOM 0 HB3 GLU A 77 74.525 5.133 -9.073 1.00 1.00 H new ATOM 0 HG2 GLU A 77 75.634 6.780 -6.753 1.00 1.00 H new ATOM 0 HG3 GLU A 77 74.657 5.350 -6.485 1.00 1.00 H new ATOM 1135 N LEU A 78 75.840 6.640 -11.695 1.00 1.00 N ATOM 1136 CA LEU A 78 75.463 6.546 -13.133 1.00 1.00 C ATOM 1137 C LEU A 78 74.824 5.181 -13.399 1.00 1.00 C ATOM 1138 O LEU A 78 75.151 4.505 -14.354 1.00 1.00 O ATOM 1139 CB LEU A 78 76.717 6.709 -14.002 1.00 1.00 C ATOM 1140 CG LEU A 78 76.313 7.153 -15.409 1.00 1.00 C ATOM 1141 CD1 LEU A 78 76.199 8.678 -15.451 1.00 1.00 C ATOM 1142 CD2 LEU A 78 77.374 6.694 -16.411 1.00 1.00 C ATOM 0 H LEU A 78 76.807 6.393 -11.482 1.00 1.00 H new ATOM 0 HA LEU A 78 74.751 7.334 -13.379 1.00 1.00 H new ATOM 0 HB2 LEU A 78 77.387 7.444 -13.556 1.00 1.00 H new ATOM 0 HB3 LEU A 78 77.263 5.767 -14.050 1.00 1.00 H new ATOM 0 HG LEU A 78 75.351 6.710 -15.668 1.00 1.00 H new ATOM 0 HD11 LEU A 78 75.911 8.994 -16.454 1.00 1.00 H new ATOM 0 HD12 LEU A 78 75.444 9.006 -14.736 1.00 1.00 H new ATOM 0 HD13 LEU A 78 77.160 9.122 -15.193 1.00 1.00 H new ATOM 0 HD21 LEU A 78 77.088 7.010 -17.414 1.00 1.00 H new ATOM 0 HD22 LEU A 78 78.335 7.137 -16.152 1.00 1.00 H new ATOM 0 HD23 LEU A 78 77.456 5.607 -16.382 1.00 1.00 H new ATOM 1154 N HIS A 79 73.912 4.772 -12.558 1.00 1.00 N ATOM 1155 CA HIS A 79 73.248 3.453 -12.757 1.00 1.00 C ATOM 1156 C HIS A 79 72.066 3.334 -11.787 1.00 1.00 C ATOM 1157 O HIS A 79 72.121 2.618 -10.805 1.00 1.00 O ATOM 1158 CB HIS A 79 74.261 2.326 -12.498 1.00 1.00 C ATOM 1159 CG HIS A 79 74.841 1.864 -13.806 1.00 1.00 C ATOM 1160 ND1 HIS A 79 76.127 2.197 -14.204 1.00 1.00 N ATOM 1161 CD2 HIS A 79 74.322 1.093 -14.819 1.00 1.00 C ATOM 1162 CE1 HIS A 79 76.340 1.635 -15.407 1.00 1.00 C ATOM 1163 NE2 HIS A 79 75.273 0.952 -15.826 1.00 1.00 N ATOM 0 H HIS A 79 73.598 5.296 -11.741 1.00 1.00 H new ATOM 0 HA HIS A 79 72.882 3.371 -13.781 1.00 1.00 H new ATOM 0 HB2 HIS A 79 75.055 2.680 -11.841 1.00 1.00 H new ATOM 0 HB3 HIS A 79 73.774 1.494 -11.990 1.00 1.00 H new ATOM 0 HD2 HIS A 79 73.331 0.664 -14.832 1.00 1.00 H new ATOM 0 HE1 HIS A 79 77.260 1.725 -15.965 1.00 1.00 H new ATOM 0 HE2 HIS A 79 75.175 0.435 -16.700 1.00 1.00 H new ATOM 1172 N GLU A 80 70.996 4.033 -12.060 1.00 1.00 N ATOM 1173 CA GLU A 80 69.804 3.968 -11.164 1.00 1.00 C ATOM 1174 C GLU A 80 68.967 2.739 -11.528 1.00 1.00 C ATOM 1175 O GLU A 80 67.930 2.486 -10.946 1.00 1.00 O ATOM 1176 CB GLU A 80 68.957 5.239 -11.340 1.00 1.00 C ATOM 1177 CG GLU A 80 69.847 6.384 -11.827 1.00 1.00 C ATOM 1178 CD GLU A 80 70.009 6.296 -13.346 1.00 1.00 C ATOM 1179 OE1 GLU A 80 69.663 5.265 -13.899 1.00 1.00 O ATOM 1180 OE2 GLU A 80 70.475 7.260 -13.929 1.00 1.00 O ATOM 0 H GLU A 80 70.896 4.648 -12.868 1.00 1.00 H new ATOM 0 HA GLU A 80 70.130 3.895 -10.126 1.00 1.00 H new ATOM 0 HB2 GLU A 80 68.155 5.058 -12.056 1.00 1.00 H new ATOM 0 HB3 GLU A 80 68.485 5.508 -10.395 1.00 1.00 H new ATOM 0 HG2 GLU A 80 69.407 7.343 -11.553 1.00 1.00 H new ATOM 0 HG3 GLU A 80 70.822 6.331 -11.343 1.00 1.00 H new ATOM 1187 N LEU A 81 69.410 1.976 -12.492 1.00 1.00 N ATOM 1188 CA LEU A 81 68.647 0.761 -12.906 1.00 1.00 C ATOM 1189 C LEU A 81 69.288 -0.483 -12.288 1.00 1.00 C ATOM 1190 O LEU A 81 68.716 -1.127 -11.430 1.00 1.00 O ATOM 1191 CB LEU A 81 68.671 0.644 -14.434 1.00 1.00 C ATOM 1192 CG LEU A 81 68.092 1.916 -15.055 1.00 1.00 C ATOM 1193 CD1 LEU A 81 68.315 1.893 -16.569 1.00 1.00 C ATOM 1194 CD2 LEU A 81 66.591 1.986 -14.764 1.00 1.00 C ATOM 0 H LEU A 81 70.271 2.142 -13.013 1.00 1.00 H new ATOM 0 HA LEU A 81 67.616 0.844 -12.562 1.00 1.00 H new ATOM 0 HB2 LEU A 81 69.693 0.490 -14.781 1.00 1.00 H new ATOM 0 HB3 LEU A 81 68.093 -0.224 -14.752 1.00 1.00 H new ATOM 0 HG LEU A 81 68.588 2.787 -14.628 1.00 1.00 H new ATOM 0 HD11 LEU A 81 67.902 2.800 -17.011 1.00 1.00 H new ATOM 0 HD12 LEU A 81 69.383 1.841 -16.779 1.00 1.00 H new ATOM 0 HD13 LEU A 81 67.818 1.022 -16.997 1.00 1.00 H new ATOM 0 HD21 LEU A 81 66.177 2.892 -15.206 1.00 1.00 H new ATOM 0 HD22 LEU A 81 66.096 1.114 -15.192 1.00 1.00 H new ATOM 0 HD23 LEU A 81 66.430 2.001 -13.686 1.00 1.00 H new ATOM 1206 N ALA A 82 70.471 -0.829 -12.718 1.00 1.00 N ATOM 1207 CA ALA A 82 71.149 -2.032 -12.158 1.00 1.00 C ATOM 1208 C ALA A 82 71.530 -1.777 -10.698 1.00 1.00 C ATOM 1209 O ALA A 82 72.525 -2.275 -10.211 1.00 1.00 O ATOM 1210 CB ALA A 82 72.412 -2.329 -12.969 1.00 1.00 C ATOM 0 H ALA A 82 70.998 -0.329 -13.434 1.00 1.00 H new ATOM 0 HA ALA A 82 70.472 -2.885 -12.211 1.00 1.00 H new ATOM 0 HB1 ALA A 82 72.909 -3.209 -12.560 1.00 1.00 H new ATOM 0 HB2 ALA A 82 72.142 -2.515 -14.008 1.00 1.00 H new ATOM 0 HB3 ALA A 82 73.087 -1.475 -12.917 1.00 1.00 H new ATOM 1216 N GLN A 83 70.748 -1.004 -9.996 1.00 1.00 N ATOM 1217 CA GLN A 83 71.072 -0.721 -8.571 1.00 1.00 C ATOM 1218 C GLN A 83 71.139 -2.035 -7.791 1.00 1.00 C ATOM 1219 O GLN A 83 72.083 -2.291 -7.070 1.00 1.00 O ATOM 1220 CB GLN A 83 69.986 0.173 -7.971 1.00 1.00 C ATOM 1221 CG GLN A 83 70.145 1.599 -8.503 1.00 1.00 C ATOM 1222 CD GLN A 83 68.856 2.384 -8.252 1.00 1.00 C ATOM 1223 OE1 GLN A 83 67.779 1.822 -8.249 1.00 1.00 O ATOM 1224 NE2 GLN A 83 68.921 3.670 -8.039 1.00 1.00 N ATOM 0 H GLN A 83 69.901 -0.557 -10.347 1.00 1.00 H new ATOM 0 HA GLN A 83 72.035 -0.215 -8.511 1.00 1.00 H new ATOM 0 HB2 GLN A 83 69.000 -0.214 -8.227 1.00 1.00 H new ATOM 0 HB3 GLN A 83 70.057 0.169 -6.883 1.00 1.00 H new ATOM 0 HG2 GLN A 83 70.984 2.091 -8.011 1.00 1.00 H new ATOM 0 HG3 GLN A 83 70.369 1.578 -9.570 1.00 1.00 H new ATOM 0 HE21 GLN A 83 69.825 4.142 -8.041 1.00 1.00 H new ATOM 0 HE22 GLN A 83 68.068 4.203 -7.870 1.00 1.00 H new ATOM 1233 N TYR A 84 70.146 -2.871 -7.927 1.00 1.00 N ATOM 1234 CA TYR A 84 70.159 -4.168 -7.190 1.00 1.00 C ATOM 1235 C TYR A 84 70.831 -5.236 -8.055 1.00 1.00 C ATOM 1236 O TYR A 84 70.651 -6.419 -7.847 1.00 1.00 O ATOM 1237 CB TYR A 84 68.721 -4.596 -6.869 1.00 1.00 C ATOM 1238 CG TYR A 84 67.794 -4.103 -7.954 1.00 1.00 C ATOM 1239 CD1 TYR A 84 67.736 -4.773 -9.182 1.00 1.00 C ATOM 1240 CD2 TYR A 84 66.993 -2.976 -7.732 1.00 1.00 C ATOM 1241 CE1 TYR A 84 66.876 -4.315 -10.188 1.00 1.00 C ATOM 1242 CE2 TYR A 84 66.134 -2.519 -8.738 1.00 1.00 C ATOM 1243 CZ TYR A 84 66.075 -3.189 -9.967 1.00 1.00 C ATOM 1244 OH TYR A 84 65.228 -2.738 -10.958 1.00 1.00 O ATOM 0 H TYR A 84 69.328 -2.713 -8.515 1.00 1.00 H new ATOM 0 HA TYR A 84 70.714 -4.050 -6.259 1.00 1.00 H new ATOM 0 HB2 TYR A 84 68.662 -5.682 -6.792 1.00 1.00 H new ATOM 0 HB3 TYR A 84 68.417 -4.191 -5.904 1.00 1.00 H new ATOM 0 HD1 TYR A 84 68.354 -5.642 -9.353 1.00 1.00 H new ATOM 0 HD2 TYR A 84 67.038 -2.460 -6.785 1.00 1.00 H new ATOM 0 HE1 TYR A 84 66.831 -4.831 -11.135 1.00 1.00 H new ATOM 0 HE2 TYR A 84 65.516 -1.650 -8.567 1.00 1.00 H new ATOM 0 HH TYR A 84 64.744 -1.948 -10.640 1.00 1.00 H new ATOM 1254 N GLY A 85 71.607 -4.825 -9.022 1.00 1.00 N ATOM 1255 CA GLY A 85 72.300 -5.811 -9.905 1.00 1.00 C ATOM 1256 C GLY A 85 73.781 -5.448 -9.996 1.00 1.00 C ATOM 1257 O GLY A 85 74.614 -6.266 -10.331 1.00 1.00 O ATOM 0 H GLY A 85 71.792 -3.846 -9.240 1.00 1.00 H new ATOM 0 HA2 GLY A 85 72.184 -6.819 -9.506 1.00 1.00 H new ATOM 0 HA3 GLY A 85 71.850 -5.807 -10.898 1.00 1.00 H new ATOM 1261 N ILE A 86 74.114 -4.223 -9.696 1.00 1.00 N ATOM 1262 CA ILE A 86 75.540 -3.791 -9.756 1.00 1.00 C ATOM 1263 C ILE A 86 75.631 -2.335 -9.287 1.00 1.00 C ATOM 1264 O ILE A 86 74.629 -1.688 -9.051 1.00 1.00 O ATOM 1265 CB ILE A 86 76.061 -3.928 -11.206 1.00 1.00 C ATOM 1266 CG1 ILE A 86 77.488 -4.482 -11.183 1.00 1.00 C ATOM 1267 CG2 ILE A 86 76.059 -2.556 -11.882 1.00 1.00 C ATOM 1268 CD1 ILE A 86 77.442 -6.009 -11.111 1.00 1.00 C ATOM 0 H ILE A 86 73.456 -3.498 -9.410 1.00 1.00 H new ATOM 0 HA ILE A 86 76.154 -4.417 -9.109 1.00 1.00 H new ATOM 0 HB ILE A 86 75.414 -4.607 -11.762 1.00 1.00 H new ATOM 0 HG12 ILE A 86 78.027 -4.166 -12.076 1.00 1.00 H new ATOM 0 HG13 ILE A 86 78.030 -4.083 -10.326 1.00 1.00 H new ATOM 0 HG21 ILE A 86 76.426 -2.653 -12.904 1.00 1.00 H new ATOM 0 HG22 ILE A 86 75.044 -2.160 -11.898 1.00 1.00 H new ATOM 0 HG23 ILE A 86 76.706 -1.876 -11.327 1.00 1.00 H new ATOM 0 HD11 ILE A 86 78.458 -6.403 -11.095 1.00 1.00 H new ATOM 0 HD12 ILE A 86 76.919 -6.315 -10.205 1.00 1.00 H new ATOM 0 HD13 ILE A 86 76.916 -6.399 -11.982 1.00 1.00 H new ATOM 1280 N CYS A 87 76.817 -1.811 -9.155 1.00 1.00 N ATOM 1281 CA CYS A 87 76.955 -0.396 -8.708 1.00 1.00 C ATOM 1282 C CYS A 87 76.658 0.538 -9.883 1.00 1.00 C ATOM 1283 CB CYS A 87 78.382 -0.155 -8.206 1.00 1.00 C ATOM 1284 SG CYS A 87 78.321 0.634 -6.578 1.00 1.00 S ATOM 0 H CYS A 87 77.694 -2.299 -9.336 1.00 1.00 H new ATOM 0 HA CYS A 87 76.251 -0.198 -7.900 1.00 1.00 H new ATOM 0 HB2 CYS A 87 78.922 -1.100 -8.145 1.00 1.00 H new ATOM 0 HB3 CYS A 87 78.925 0.477 -8.909 1.00 1.00 H new TER 1289 CYS A 87 HETATM 1290 C1C RCY A 110 56.571 4.082 -2.807 1.00 1.00 C HETATM 1291 O1G RCY A 110 53.428 7.180 -4.017 1.00 1.00 O HETATM 1292 O1H RCY A 110 54.569 4.395 -0.377 1.00 1.00 O HETATM 1293 O1J RCY A 110 55.532 2.062 -0.830 1.00 1.00 O HETATM 1294 C1L RCY A 110 53.641 7.571 -1.610 1.00 1.00 C HETATM 1295 C1M RCY A 110 53.055 3.188 -3.533 1.00 1.00 C HETATM 1296 C1P RCY A 110 53.648 6.730 -2.893 1.00 1.00 C HETATM 1297 C1Q RCY A 110 54.027 5.247 -1.080 1.00 1.00 C HETATM 1298 N1R RCY A 110 53.961 5.263 -2.602 1.00 1.00 N HETATM 1299 C1S RCY A 110 53.299 6.484 -0.586 1.00 1.00 C HETATM 1300 C1U RCY A 110 54.160 4.102 -3.578 1.00 1.00 C HETATM 1301 C1V RCY A 110 55.722 2.272 -4.365 1.00 1.00 C HETATM 1302 N1V RCY A 110 54.818 2.467 -2.038 1.00 1.00 N HETATM 1303 C1W RCY A 110 53.353 2.214 -2.386 1.00 1.00 C HETATM 1304 C1X RCY A 110 55.369 3.236 -3.231 1.00 1.00 C HETATM 1305 C1Y RCY A 110 53.154 0.766 -2.844 1.00 1.00 C HETATM 1306 C1Z RCY A 110 52.488 2.516 -1.162 1.00 1.00 C HETATM 0 H1ZB RCY A 110 52.688 3.530 -0.816 1.00 1.00 H new HETATM 0 H1ZA RCY A 110 51.435 2.425 -1.429 1.00 1.00 H new HETATM 0 H1YB RCY A 110 52.123 0.625 -3.168 1.00 1.00 H new HETATM 0 H1YA RCY A 110 53.827 0.551 -3.674 1.00 1.00 H new HETATM 0 H1VB RCY A 110 56.063 2.839 -5.231 1.00 1.00 H new HETATM 0 H1VA RCY A 110 56.514 1.599 -4.037 1.00 1.00 H new HETATM 0 H1MA RCY A 110 52.118 3.718 -3.361 1.00 1.00 H new HETATM 0 H1LA RCY A 110 54.605 8.041 -1.414 1.00 1.00 H new HETATM 0 H1CB RCY A 110 56.851 4.750 -3.622 1.00 1.00 H new HETATM 0 H1CA RCY A 110 56.309 4.671 -1.928 1.00 1.00 H new HETATM 0 H1Z RCY A 110 52.723 1.808 -0.367 1.00 1.00 H new HETATM 0 H1Y RCY A 110 53.370 0.090 -2.017 1.00 1.00 H new HETATM 0 H1V RCY A 110 54.841 1.690 -4.636 1.00 1.00 H new HETATM 0 H1U RCY A 110 54.278 4.584 -4.549 1.00 1.00 H new HETATM 0 H1S RCY A 110 52.223 6.315 -0.532 1.00 1.00 H new HETATM 0 H1M RCY A 110 52.951 2.656 -4.479 1.00 1.00 H new HETATM 0 H1L RCY A 110 52.898 8.368 -1.637 1.00 1.00 H new HETATM 0 H1C RCY A 110 57.410 3.428 -2.569 1.00 1.00 H new HETATM 1309 C1C RCY A 121 65.742 11.221 4.968 1.00 1.00 C HETATM 1310 O1G RCY A 121 69.680 10.970 4.148 1.00 1.00 O HETATM 1311 O1H RCY A 121 67.853 10.775 8.498 1.00 1.00 O HETATM 1312 O1J RCY A 121 67.133 10.972 2.309 1.00 1.00 O HETATM 1313 C1L RCY A 121 70.168 12.168 6.225 1.00 1.00 C HETATM 1314 C1M RCY A 121 68.059 8.336 4.936 1.00 1.00 C HETATM 1315 C1P RCY A 121 69.411 11.179 5.330 1.00 1.00 C HETATM 1316 C1Q RCY A 121 68.327 11.187 7.441 1.00 1.00 C HETATM 1317 N1R RCY A 121 68.281 10.484 6.089 1.00 1.00 N HETATM 1318 C1S RCY A 121 69.069 12.496 7.242 1.00 1.00 C HETATM 1319 C1U RCY A 121 67.342 9.371 5.623 1.00 1.00 C HETATM 1320 C1V RCY A 121 65.214 8.815 4.368 1.00 1.00 C HETATM 1321 N1V RCY A 121 67.199 9.965 3.364 1.00 1.00 N HETATM 1322 C1W RCY A 121 68.170 8.791 3.475 1.00 1.00 C HETATM 1323 C1X RCY A 121 66.315 9.851 4.598 1.00 1.00 C HETATM 1324 C1Y RCY A 121 67.756 7.662 2.527 1.00 1.00 C HETATM 1325 C1Z RCY A 121 69.582 9.277 3.150 1.00 1.00 C HETATM 0 H1ZB RCY A 121 69.835 10.119 3.795 1.00 1.00 H new HETATM 0 H1ZA RCY A 121 70.293 8.467 3.315 1.00 1.00 H new HETATM 0 H1VB RCY A 121 64.624 8.703 5.278 1.00 1.00 H new HETATM 0 H1VA RCY A 121 64.568 9.145 3.555 1.00 1.00 H new HETATM 0 H1MA RCY A 121 69.046 8.189 5.374 1.00 1.00 H new HETATM 0 H1LA RCY A 121 71.047 11.722 6.690 1.00 1.00 H new HETATM 0 H1CB RCY A 121 65.253 11.160 5.940 1.00 1.00 H new HETATM 0 H1CA RCY A 121 66.549 11.953 5.013 1.00 1.00 H new HETATM 0 H1Z RCY A 121 69.627 9.592 2.108 1.00 1.00 H new HETATM 0 H1V RCY A 121 65.664 7.857 4.108 1.00 1.00 H new HETATM 0 H1U RCY A 121 66.863 9.024 6.538 1.00 1.00 H new HETATM 0 H1S RCY A 121 68.404 13.276 6.870 1.00 1.00 H new HETATM 0 H1M RCY A 121 67.533 7.384 5.009 1.00 1.00 H new HETATM 0 H1L RCY A 121 70.508 13.048 5.680 1.00 1.00 H new HETATM 0 H1C RCY A 121 65.016 11.527 4.215 1.00 1.00 H new HETATM 1328 C1C RCY A 130 83.545 8.163 1.284 1.00 1.00 C HETATM 1329 O1G RCY A 130 80.444 7.816 5.763 1.00 1.00 O HETATM 1330 O1H RCY A 130 84.567 8.956 3.761 1.00 1.00 O HETATM 1331 O1J RCY A 130 81.550 7.025 -0.663 1.00 1.00 O HETATM 1332 C1L RCY A 130 82.375 9.111 6.525 1.00 1.00 C HETATM 1333 C1M RCY A 130 80.533 6.914 3.033 1.00 1.00 C HETATM 1334 C1P RCY A 130 81.578 8.240 5.546 1.00 1.00 C HETATM 1335 C1Q RCY A 130 83.711 8.615 4.576 1.00 1.00 C HETATM 1336 N1R RCY A 130 82.368 7.966 4.267 1.00 1.00 N HETATM 1337 C1S RCY A 130 83.801 8.764 6.084 1.00 1.00 C HETATM 1338 C1U RCY A 130 81.932 7.230 2.998 1.00 1.00 C HETATM 1339 C1V RCY A 130 81.462 9.467 1.907 1.00 1.00 C HETATM 1340 N1V RCY A 130 81.273 7.253 0.752 1.00 1.00 N HETATM 1341 C1W RCY A 130 80.104 6.714 1.574 1.00 1.00 C HETATM 1342 C1X RCY A 130 82.087 8.080 1.738 1.00 1.00 C HETATM 1343 C1Y RCY A 130 78.829 7.506 1.274 1.00 1.00 C HETATM 1344 C1Z RCY A 130 79.906 5.232 1.251 1.00 1.00 C HETATM 0 H1ZB RCY A 130 80.841 4.696 1.414 1.00 1.00 H new HETATM 0 H1ZA RCY A 130 79.133 4.818 1.899 1.00 1.00 H new HETATM 0 H1YB RCY A 130 78.026 7.165 1.928 1.00 1.00 H new HETATM 0 H1YA RCY A 130 79.011 8.567 1.446 1.00 1.00 H new HETATM 0 H1VB RCY A 130 82.021 10.029 2.655 1.00 1.00 H new HETATM 0 H1VA RCY A 130 81.493 9.999 0.956 1.00 1.00 H new HETATM 0 H1MA RCY A 130 80.352 6.013 3.619 1.00 1.00 H new HETATM 0 H1LA RCY A 130 82.151 10.172 6.417 1.00 1.00 H new HETATM 0 H1CB RCY A 130 84.147 8.611 2.074 1.00 1.00 H new HETATM 0 H1CA RCY A 130 83.916 7.161 1.068 1.00 1.00 H new HETATM 0 H1Y RCY A 130 78.541 7.351 0.234 1.00 1.00 H new HETATM 0 H1V RCY A 130 80.426 9.362 2.230 1.00 1.00 H new HETATM 0 H1U RCY A 130 82.569 6.346 2.967 1.00 1.00 H new HETATM 0 H1S RCY A 130 84.148 7.843 6.553 1.00 1.00 H new HETATM 0 H1M RCY A 130 79.964 7.718 3.500 1.00 1.00 H new HETATM 0 H1L RCY A 130 82.185 8.850 7.566 1.00 1.00 H new HETATM 0 H1C RCY A 130 83.612 8.776 0.385 1.00 1.00 H new HETATM 1347 C1C RCY A 138 87.379 1.817 -0.564 1.00 1.00 C HETATM 1348 O1G RCY A 138 87.201 -0.072 1.575 1.00 1.00 O HETATM 1349 O1H RCY A 138 85.545 -3.172 -1.579 1.00 1.00 O HETATM 1350 O1J RCY A 138 85.449 3.652 -1.969 1.00 1.00 O HETATM 1351 C1L RCY A 138 87.123 -2.517 1.512 1.00 1.00 C HETATM 1352 C1M RCY A 138 84.299 0.018 -1.550 1.00 1.00 C HETATM 1353 C1P RCY A 138 86.852 -1.099 0.994 1.00 1.00 C HETATM 1354 C1Q RCY A 138 85.826 -2.607 -0.523 1.00 1.00 C HETATM 1355 N1R RCY A 138 86.094 -1.119 -0.332 1.00 1.00 N HETATM 1356 C1S RCY A 138 85.970 -3.267 0.836 1.00 1.00 C HETATM 1357 C1U RCY A 138 85.700 0.046 -1.242 1.00 1.00 C HETATM 1358 C1V RCY A 138 85.282 1.463 0.815 1.00 1.00 C HETATM 1359 N1V RCY A 138 85.123 2.295 -1.541 1.00 1.00 N HETATM 1360 C1W RCY A 138 83.922 1.448 -1.957 1.00 1.00 C HETATM 1361 C1X RCY A 138 85.904 1.409 -0.581 1.00 1.00 C HETATM 1362 C1Y RCY A 138 82.662 1.904 -1.215 1.00 1.00 C HETATM 1363 C1Z RCY A 138 83.728 1.562 -3.469 1.00 1.00 C HETATM 0 H1ZB RCY A 138 84.654 1.290 -3.976 1.00 1.00 H new HETATM 0 H1ZA RCY A 138 82.930 0.890 -3.785 1.00 1.00 H new HETATM 0 H1VB RCY A 138 85.817 0.783 1.478 1.00 1.00 H new HETATM 0 H1MA RCY A 138 84.092 -0.684 -2.358 1.00 1.00 H new HETATM 0 H1LA RCY A 138 88.100 -2.893 1.209 1.00 1.00 H new HETATM 0 H1CB RCY A 138 87.955 1.077 -0.008 1.00 1.00 H new HETATM 0 H1CA RCY A 138 87.753 1.873 -1.586 1.00 1.00 H new HETATM 0 H1Z RCY A 138 83.462 2.587 -3.725 1.00 1.00 H new HETATM 0 H1Y RCY A 138 82.410 2.921 -1.517 1.00 1.00 H new HETATM 0 H1S RCY A 138 85.050 -3.185 1.416 1.00 1.00 H new HETATM 0 H1L RCY A 138 87.081 -2.579 2.599 1.00 1.00 H new HETATM 0 H1C RCY A 138 87.482 2.791 -0.086 1.00 1.00 H new HETATM 1366 C1C RCY A 150 86.693 0.309 0.235 1.00 1.00 C HETATM 1367 O1G RCY A 150 87.648 -1.749 -1.181 1.00 1.00 O HETATM 1368 O1H RCY A 150 84.335 -1.302 -4.516 1.00 1.00 O HETATM 1369 O1J RCY A 150 84.400 1.725 1.578 1.00 1.00 O HETATM 1370 C1L RCY A 150 87.276 -2.857 -3.331 1.00 1.00 C HETATM 1371 C1M RCY A 150 83.562 -0.083 -1.698 1.00 1.00 C HETATM 1372 C1P RCY A 150 86.949 -1.894 -2.182 1.00 1.00 C HETATM 1373 C1Q RCY A 150 85.154 -1.775 -3.730 1.00 1.00 C HETATM 1374 N1R RCY A 150 85.646 -1.138 -2.436 1.00 1.00 N HETATM 1375 C1S RCY A 150 85.864 -3.109 -3.872 1.00 1.00 C HETATM 1376 C1U RCY A 150 84.993 -0.026 -1.612 1.00 1.00 C HETATM 1377 C1V RCY A 150 84.995 -1.566 0.398 1.00 1.00 C HETATM 1378 N1V RCY A 150 84.251 0.825 0.438 1.00 1.00 N HETATM 1379 C1W RCY A 150 83.030 0.655 -0.464 1.00 1.00 C HETATM 1380 C1X RCY A 150 85.278 -0.153 -0.116 1.00 1.00 C HETATM 1381 C1Y RCY A 150 81.956 -0.179 0.241 1.00 1.00 C HETATM 1382 C1Z RCY A 150 82.484 2.034 -0.833 1.00 1.00 C HETATM 0 H1ZB RCY A 150 83.279 2.633 -1.278 1.00 1.00 H new HETATM 0 H1ZA RCY A 150 81.669 1.923 -1.548 1.00 1.00 H new HETATM 0 H1YB RCY A 150 81.129 -0.362 -0.445 1.00 1.00 H new HETATM 0 H1YA RCY A 150 82.383 -1.131 0.556 1.00 1.00 H new HETATM 0 H1VA RCY A 150 85.101 -1.587 1.483 1.00 1.00 H new HETATM 0 H1LA RCY A 150 87.935 -2.410 -4.076 1.00 1.00 H new HETATM 0 H1Z RCY A 150 82.115 2.531 0.064 1.00 1.00 H new HETATM 0 H1Y RCY A 150 81.591 0.361 1.114 1.00 1.00 H new HETATM 0 H1V RCY A 150 83.979 -1.855 0.127 1.00 1.00 H new HETATM 0 H1U RCY A 150 85.409 0.893 -2.024 1.00 1.00 H new HETATM 0 H1S RCY A 150 85.356 -3.890 -3.306 1.00 1.00 H new HETATM 0 H1M RCY A 150 83.214 -1.116 -1.714 1.00 1.00 H new HETATM 0 H1L RCY A 150 87.760 -3.771 -2.985 1.00 1.00 H new HETATM 1385 C1C RCY A 160 76.795 5.016 7.278 1.00 1.00 C HETATM 1386 O1G RCY A 160 75.859 4.446 9.630 1.00 1.00 O HETATM 1387 O1H RCY A 160 74.756 0.504 7.276 1.00 1.00 O HETATM 1388 O1J RCY A 160 78.058 3.047 5.382 1.00 1.00 O HETATM 1389 C1L RCY A 160 75.920 2.072 10.218 1.00 1.00 C HETATM 1390 C1M RCY A 160 74.237 2.886 5.661 1.00 1.00 C HETATM 1391 C1P RCY A 160 75.636 3.278 9.314 1.00 1.00 C HETATM 1392 C1Q RCY A 160 74.879 1.347 8.163 1.00 1.00 C HETATM 1393 N1R RCY A 160 75.043 2.850 7.974 1.00 1.00 N HETATM 1394 C1S RCY A 160 74.897 1.078 9.657 1.00 1.00 C HETATM 1395 C1U RCY A 160 74.697 3.700 6.750 1.00 1.00 C HETATM 1396 C1V RCY A 160 75.500 5.492 5.151 1.00 1.00 C HETATM 1397 N1V RCY A 160 76.620 3.277 5.484 1.00 1.00 N HETATM 1398 C1W RCY A 160 75.494 2.413 4.921 1.00 1.00 C HETATM 1399 C1X RCY A 160 75.909 4.432 6.176 1.00 1.00 C HETATM 1400 C1Y RCY A 160 75.348 2.640 3.413 1.00 1.00 C HETATM 1401 C1Z RCY A 160 75.794 0.944 5.218 1.00 1.00 C HETATM 0 H1ZB RCY A 160 75.953 0.814 6.289 1.00 1.00 H new HETATM 0 H1ZA RCY A 160 74.952 0.329 4.899 1.00 1.00 H new HETATM 0 H1VB RCY A 160 74.945 6.286 5.650 1.00 1.00 H new HETATM 0 H1VA RCY A 160 76.392 5.911 4.685 1.00 1.00 H new HETATM 0 H1MA RCY A 160 73.658 2.038 6.026 1.00 1.00 H new HETATM 0 H1LA RCY A 160 76.945 1.713 10.125 1.00 1.00 H new HETATM 0 H1CB RCY A 160 76.218 5.725 7.872 1.00 1.00 H new HETATM 0 H1CA RCY A 160 77.154 4.212 7.920 1.00 1.00 H new HETATM 0 H1Z RCY A 160 76.691 0.640 4.678 1.00 1.00 H new HETATM 0 H1Y RCY A 160 76.250 2.298 2.905 1.00 1.00 H new HETATM 0 H1V RCY A 160 74.872 5.035 4.386 1.00 1.00 H new HETATM 0 H1U RCY A 160 73.941 4.396 7.112 1.00 1.00 H new HETATM 0 H1S RCY A 160 73.912 1.231 10.099 1.00 1.00 H new HETATM 0 H1L RCY A 160 75.753 2.292 11.272 1.00 1.00 H new HETATM 0 H1C RCY A 160 77.645 5.528 6.828 1.00 1.00 H new HETATM 1404 C1C RCY A 168 72.935 1.704 2.090 1.00 1.00 C HETATM 1405 O1G RCY A 168 72.021 -2.108 4.583 1.00 1.00 O HETATM 1406 O1H RCY A 168 69.962 1.764 2.832 1.00 1.00 O HETATM 1407 O1J RCY A 168 71.176 4.008 2.906 1.00 1.00 O HETATM 1408 C1L RCY A 168 69.934 -1.727 3.364 1.00 1.00 C HETATM 1409 C1M RCY A 168 72.334 1.700 5.741 1.00 1.00 C HETATM 1410 C1P RCY A 168 71.238 -1.317 4.061 1.00 1.00 C HETATM 1411 C1Q RCY A 168 70.149 0.678 3.379 1.00 1.00 C HETATM 1412 N1R RCY A 168 71.442 0.197 4.025 1.00 1.00 N HETATM 1413 C1S RCY A 168 69.128 -0.434 3.534 1.00 1.00 C HETATM 1414 C1U RCY A 168 72.633 1.026 4.510 1.00 1.00 C HETATM 1415 C1V RCY A 168 74.353 2.780 3.896 1.00 1.00 C HETATM 1416 N1V RCY A 168 71.874 3.138 3.848 1.00 1.00 N HETATM 1417 C1W RCY A 168 71.639 3.011 5.352 1.00 1.00 C HETATM 1418 C1X RCY A 168 72.999 2.156 3.550 1.00 1.00 C HETATM 1419 C1Y RCY A 168 72.267 4.194 6.094 1.00 1.00 C HETATM 1420 C1Z RCY A 168 70.135 2.943 5.619 1.00 1.00 C HETATM 0 H1ZB RCY A 168 69.698 2.133 5.035 1.00 1.00 H new HETATM 0 H1ZA RCY A 168 69.962 2.760 6.680 1.00 1.00 H new HETATM 0 H1YB RCY A 168 72.164 4.045 7.169 1.00 1.00 H new HETATM 0 H1YA RCY A 168 73.324 4.265 5.837 1.00 1.00 H new HETATM 0 H1MA RCY A 168 71.689 1.089 6.372 1.00 1.00 H new HETATM 0 H1LA RCY A 168 70.085 -1.990 2.317 1.00 1.00 H new HETATM 0 H1CA RCY A 168 71.924 1.371 1.856 1.00 1.00 H new HETATM 0 H1Z RCY A 168 69.672 3.887 5.333 1.00 1.00 H new HETATM 0 H1Y RCY A 168 71.761 5.115 5.805 1.00 1.00 H new HETATM 0 H1U RCY A 168 73.443 0.302 4.605 1.00 1.00 H new HETATM 0 H1S RCY A 168 68.644 -0.394 4.510 1.00 1.00 H new HETATM 0 H1M RCY A 168 73.244 1.895 6.309 1.00 1.00 H new HETATM 0 H1L RCY A 168 69.456 -2.582 3.842 1.00 1.00 H new HETATM 1423 C1C RCY A 173 74.034 2.543 -2.450 1.00 1.00 C HETATM 1424 O1G RCY A 173 73.722 7.230 -1.185 1.00 1.00 O HETATM 1425 O1H RCY A 173 70.706 3.635 -0.657 1.00 1.00 O HETATM 1426 O1J RCY A 173 75.690 0.897 -0.547 1.00 1.00 O HETATM 1427 C1L RCY A 173 71.294 7.033 -1.419 1.00 1.00 C HETATM 1428 C1M RCY A 173 74.009 4.001 0.951 1.00 1.00 C HETATM 1429 C1P RCY A 173 72.718 6.521 -1.161 1.00 1.00 C HETATM 1430 C1Q RCY A 173 71.271 4.642 -1.082 1.00 1.00 C HETATM 1431 N1R RCY A 173 72.732 5.021 -0.872 1.00 1.00 N HETATM 1432 C1S RCY A 173 70.637 5.740 -1.915 1.00 1.00 C HETATM 1433 C1U RCY A 173 73.904 4.122 -0.475 1.00 1.00 C HETATM 1434 C1V RCY A 173 72.360 2.118 -0.593 1.00 1.00 C HETATM 1435 N1V RCY A 173 74.820 1.994 -0.136 1.00 1.00 N HETATM 1436 C1W RCY A 173 74.794 2.709 1.214 1.00 1.00 C HETATM 1437 C1X RCY A 173 73.736 2.681 -0.955 1.00 1.00 C HETATM 1438 C1Y RCY A 173 74.080 1.850 2.262 1.00 1.00 C HETATM 1439 C1Z RCY A 173 76.228 3.009 1.649 1.00 1.00 C HETATM 0 H1ZB RCY A 173 76.736 3.570 0.865 1.00 1.00 H new HETATM 0 H1ZA RCY A 173 76.214 3.599 2.566 1.00 1.00 H new HETATM 0 H1VB RCY A 173 71.590 2.656 -1.145 1.00 1.00 H new HETATM 0 H1VA RCY A 173 72.320 1.060 -0.852 1.00 1.00 H new HETATM 0 H1MA RCY A 173 74.523 4.862 1.378 1.00 1.00 H new HETATM 0 H1LA RCY A 173 70.821 7.423 -0.518 1.00 1.00 H new HETATM 0 H1CB RCY A 173 73.350 3.175 -3.017 1.00 1.00 H new HETATM 0 H1CA RCY A 173 75.061 2.852 -2.646 1.00 1.00 H new HETATM 0 H1Z RCY A 173 76.757 2.073 1.828 1.00 1.00 H new HETATM 0 H1Y RCY A 173 74.651 0.938 2.435 1.00 1.00 H new HETATM 0 H1V RCY A 173 72.189 2.236 0.477 1.00 1.00 H new HETATM 0 H1U RCY A 173 74.773 4.598 -0.930 1.00 1.00 H new HETATM 0 H1S RCY A 173 70.819 5.586 -2.978 1.00 1.00 H new HETATM 0 H1M RCY A 173 73.022 3.958 1.412 1.00 1.00 H new HETATM 0 H1L RCY A 173 71.265 7.828 -2.164 1.00 1.00 H new HETATM 0 H1C RCY A 173 73.903 1.504 -2.753 1.00 1.00 H new HETATM 1442 C1C RCY A 176 79.396 8.062 -1.537 1.00 1.00 C HETATM 1443 O1G RCY A 176 74.516 10.032 -1.963 1.00 1.00 O HETATM 1444 O1H RCY A 176 77.790 7.658 -4.401 1.00 1.00 O HETATM 1445 O1J RCY A 176 79.285 5.991 0.646 1.00 1.00 O HETATM 1446 C1L RCY A 176 75.105 9.951 -4.337 1.00 1.00 C HETATM 1447 C1M RCY A 176 75.911 7.020 -0.858 1.00 1.00 C HETATM 1448 C1P RCY A 176 75.251 9.602 -2.850 1.00 1.00 C HETATM 1449 C1Q RCY A 176 77.039 8.545 -3.998 1.00 1.00 C HETATM 1450 N1R RCY A 176 76.425 8.653 -2.608 1.00 1.00 N HETATM 1451 C1S RCY A 176 76.551 9.738 -4.799 1.00 1.00 C HETATM 1452 C1U RCY A 176 76.875 7.981 -1.310 1.00 1.00 C HETATM 1453 C1V RCY A 176 78.077 6.223 -2.680 1.00 1.00 C HETATM 1454 N1V RCY A 176 78.143 6.369 -0.181 1.00 1.00 N HETATM 1455 C1W RCY A 176 76.668 6.055 0.063 1.00 1.00 C HETATM 1456 C1X RCY A 176 78.157 7.166 -1.478 1.00 1.00 C HETATM 1457 C1Y RCY A 176 76.362 4.602 -0.311 1.00 1.00 C HETATM 1458 C1Z RCY A 176 76.337 6.314 1.533 1.00 1.00 C HETATM 0 H1ZB RCY A 176 76.618 7.334 1.795 1.00 1.00 H new HETATM 0 H1ZA RCY A 176 75.267 6.179 1.694 1.00 1.00 H new HETATM 0 H1YB RCY A 176 75.292 4.418 -0.212 1.00 1.00 H new HETATM 0 H1YA RCY A 176 76.668 4.419 -1.341 1.00 1.00 H new HETATM 0 H1VB RCY A 176 78.032 6.808 -3.599 1.00 1.00 H new HETATM 0 H1VA RCY A 176 78.960 5.584 -2.700 1.00 1.00 H new HETATM 0 H1MA RCY A 176 75.095 7.508 -0.324 1.00 1.00 H new HETATM 0 H1LA RCY A 176 74.402 9.297 -4.852 1.00 1.00 H new HETATM 0 H1CB RCY A 176 79.311 8.745 -2.383 1.00 1.00 H new HETATM 0 H1CA RCY A 176 79.474 8.636 -0.614 1.00 1.00 H new HETATM 0 H1Z RCY A 176 76.890 5.614 2.159 1.00 1.00 H new HETATM 0 H1Y RCY A 176 76.908 3.932 0.353 1.00 1.00 H new HETATM 0 H1V RCY A 176 77.183 5.605 -2.599 1.00 1.00 H new HETATM 0 H1U RCY A 176 77.013 8.808 -0.613 1.00 1.00 H new HETATM 0 H1S RCY A 176 77.162 10.620 -4.608 1.00 1.00 H new HETATM 0 H1M RCY A 176 75.468 6.488 -1.700 1.00 1.00 H new HETATM 0 H1L RCY A 176 74.763 10.974 -4.494 1.00 1.00 H new HETATM 0 H1C RCY A 176 80.286 7.445 -1.657 1.00 1.00 H new HETATM 1461 C1C RCY A 187 78.268 -4.554 -1.952 1.00 1.00 C HETATM 1462 O1G RCY A 187 78.738 -4.267 -5.094 1.00 1.00 O HETATM 1463 O1H RCY A 187 79.681 0.212 -3.936 1.00 1.00 O HETATM 1464 O1J RCY A 187 79.480 -4.215 0.784 1.00 1.00 O HETATM 1465 C1L RCY A 187 78.455 -2.139 -6.267 1.00 1.00 C HETATM 1466 C1M RCY A 187 80.562 -1.652 -1.855 1.00 1.00 C HETATM 1467 C1P RCY A 187 78.830 -3.041 -5.085 1.00 1.00 C HETATM 1468 C1Q RCY A 187 79.134 -0.796 -4.379 1.00 1.00 C HETATM 1469 N1R RCY A 187 79.334 -2.227 -3.894 1.00 1.00 N HETATM 1470 C1S RCY A 187 78.130 -0.843 -5.516 1.00 1.00 C HETATM 1471 C1U RCY A 187 79.897 -2.712 -2.557 1.00 1.00 C HETATM 1472 C1V RCY A 187 77.688 -2.135 -1.461 1.00 1.00 C HETATM 1473 N1V RCY A 187 79.609 -3.240 -0.294 1.00 1.00 N HETATM 1474 C1W RCY A 187 80.579 -2.062 -0.377 1.00 1.00 C HETATM 1475 C1X RCY A 187 78.808 -3.169 -1.587 1.00 1.00 C HETATM 1476 C1Y RCY A 187 80.097 -0.909 0.508 1.00 1.00 C HETATM 1477 C1Z RCY A 187 81.970 -2.528 0.054 1.00 1.00 C HETATM 0 H1ZB RCY A 187 82.269 -3.387 -0.547 1.00 1.00 H new HETATM 0 H1ZA RCY A 187 82.686 -1.718 -0.089 1.00 1.00 H new HETATM 0 H1YB RCY A 187 80.752 -0.048 0.373 1.00 1.00 H new HETATM 0 H1YA RCY A 187 79.079 -0.637 0.229 1.00 1.00 H new HETATM 0 H1VB RCY A 187 77.158 -2.055 -2.410 1.00 1.00 H new HETATM 0 H1VA RCY A 187 76.992 -2.446 -0.682 1.00 1.00 H new HETATM 0 H1MA RCY A 187 81.575 -1.511 -2.232 1.00 1.00 H new HETATM 0 H1LA RCY A 187 79.275 -2.017 -6.975 1.00 1.00 H new HETATM 0 H1CB RCY A 187 77.843 -4.526 -2.955 1.00 1.00 H new HETATM 0 H1CA RCY A 187 79.080 -5.281 -1.922 1.00 1.00 H new HETATM 0 H1Z RCY A 187 81.949 -2.812 1.106 1.00 1.00 H new HETATM 0 H1Y RCY A 187 80.116 -1.220 1.553 1.00 1.00 H new HETATM 0 H1V RCY A 187 78.115 -1.166 -1.201 1.00 1.00 H new HETATM 0 H1U RCY A 187 80.564 -3.530 -2.827 1.00 1.00 H new HETATM 0 H1S RCY A 187 77.107 -0.848 -5.141 1.00 1.00 H new HETATM 0 H1M RCY A 187 80.037 -0.706 -1.991 1.00 1.00 H new HETATM 0 H1L RCY A 187 77.603 -2.521 -6.829 1.00 1.00 H new HETATM 0 H1C RCY A 187 77.496 -4.843 -1.239 1.00 1.00 H new