USER MOD reduce.3.24.130724 H: found=0, std=0, add=789, rem=0, adj=13 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 9 GLU H : A 9 GLU N : A 110 RCY C1P :(H bumps) USER MOD NoAdj-H: A 10 CYS H : A 10 CYS N : A 110 RCY C1Q :(H bumps) USER MOD NoAdj-H: A 110 RCYH1YB : A 110 RCY C1Y : A 11 ARG CB :(H bumps) USER MOD NoAdj-H: A 110 RCYH1YA : A 110 RCY C1Y : A 11 ARG CB :(H bumps) USER MOD NoAdj-H: A 110 RCYH1SA : A 110 RCY C1S : A 10 CYS SG :(H bumps) USER MOD NoAdj-H: A 110 RCYH1LA : A 110 RCY C1L : A 10 CYS N :(H bumps) USER MOD NoAdj-H: A 110 RCYH1CB : A 110 RCY C1C : A 8 ALA N :(H bumps) USER MOD NoAdj-H: A 110 RCYH1CA : A 110 RCY C1C : A 8 ALA N :(H bumps) USER MOD NoAdj-H: A 110 RCY H1U : A 110 RCY C1U : A 8 ALA C :(H bumps) USER MOD NoAdj-H: A 110 RCY H1M : A 110 RCY C1M : A 11 ARG CB :(H bumps) USER MOD NoAdj-H: A 110 RCY H1L : A 110 RCY C1L : A 9 GLU CB :(H bumps) USER MOD NoAdj-H: A 110 RCY H1C : A 110 RCY C1C : A 8 ALA N :(H bumps) USER MOD NoAdj-H: A 121 RCYH1SA : A 121 RCY C1S : A 21 CYS SG :(H bumps) USER MOD NoAdj-H: A 121 RCY H1Z : A 121 RCY C1Z : A 23 PRO CG :(H bumps) USER MOD NoAdj-H: A 130 RCYH1SA : A 130 RCY C1S : A 30 CYS SG :(H bumps) USER MOD NoAdj-H: A 138 RCYH1SA : A 138 RCY C1S : A 38 CYS SG :(H bumps) USER MOD NoAdj-H: A 150 RCYH1SA : A 150 RCY C1S : A 50 CYS SG :(H bumps) USER MOD NoAdj-H: A 150 RCYH1CA : A 150 RCY C1C : A 187 RCY C1C :(H bumps) USER MOD NoAdj-H: A 150 RCY H1C : A 150 RCY C1C : A 187 RCY C1C :(H bumps) USER MOD NoAdj-H: A 160 RCYH1SA : A 160 RCY C1S : A 60 CYS SG :(H bumps) USER MOD NoAdj-H: A 168 RCYH1YB : A 168 RCY C1Y : A 187 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 C1X :(H bumps) USER MOD NoAdj-H: A 168 RCYH1CA : A 168 RCY C1C : A 176 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 168 RCY H1U : A 168 RCY C1U : A 173 RCY N1V :(H bumps) USER MOD NoAdj-H: A 168 RCY H1C : A 168 RCY C1C : A 176 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 173 RCYH1VB : A 173 RCY C1V : A 70 TRP C :(H bumps) USER MOD NoAdj-H: A 173 RCYH1VA : A 173 RCY C1V : A 168 RCY O1H :(H bumps) USER MOD NoAdj-H: A 173 RCYH1SA : A 173 RCY C1S : A 73 CYS SG :(H bumps) USER MOD NoAdj-H: A 173 RCYH1CA : A 173 RCY C1C : A 168 RCY C1X :(H bumps) USER MOD NoAdj-H: A 173 RCY H1V : A 173 RCY C1V : A 168 RCY O1H :(H bumps) USER MOD NoAdj-H: A 173 RCY H1L : A 173 RCY C1L : A 173 RCY C1U :(H bumps) USER MOD NoAdj-H: A 176 RCYH1YB : A 176 RCY C1Y : A 168 RCY N1V :(H bumps) USER MOD NoAdj-H: A 176 RCYH1YA : A 176 RCY C1Y : A 168 RCY N1V :(H bumps) USER MOD NoAdj-H: A 176 RCYH1SA : A 176 RCY C1S : A 76 CYS SG :(H bumps) USER MOD NoAdj-H: A 176 RCY H1Y : A 176 RCY C1Y : A 168 RCY C1C :(H bumps) USER MOD NoAdj-H: A 176 RCY H1M : A 176 RCY C1M : A 168 RCY O1J :(H bumps) USER MOD NoAdj-H: A 187 RCYH1YB : A 187 RCY C1Y : A 168 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 187 RCYH1YA : A 187 RCY C1Y : A 168 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 187 RCYH1SA : A 187 RCY C1S : A 87 CYS SG :(H bumps) USER MOD NoAdj-H: A 187 RCYH1CB : A 187 RCY C1C : A 150 RCY O1J :(H bumps) USER MOD NoAdj-H: A 187 RCYH1CA : A 187 RCY C1C : A 150 RCY C1X :(H bumps) USER MOD NoAdj-H: A 187 RCY H1C : A 187 RCY C1C : A 150 RCY N1V :(H bumps) USER MOD Set 1.1: A 1 MET N :NH3+ -128:sc=-0.00775 (180deg=-0.636) USER MOD Set 1.2: A 2 ASN : amide:sc= -2.24! C(o=-2.2!,f=-4.1!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= -0.123 USER MOD Single : A 14 THR OG1 : rot -27:sc= 0.611 USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= -17.5! C(o=-18!,f=-29!) USER MOD Single : A 34 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 35 THR OG1 : rot -33:sc= 0.431 USER MOD Single : A 37 GLN :FLIP amide:sc= -18.6! C(o=-23!,f=-19!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 147:sc= -0.851! (180deg=-1.66!) USER MOD Single : A 45 LYS NZ :NH3+ -113:sc= -3.32! (180deg=-5.77!) USER MOD Single : A 48 GLN : amide:sc= -0.425 K(o=-0.42,f=-1.2) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.426! USER MOD Single : A 65 THR OG1 : rot -55:sc= 1.19 USER MOD Single : A 74 ASN : amide:sc= -0.255 X(o=-0.25,f=-0.063) USER MOD Single : A 75 HIS : no HD1:sc= -28.4! C(o=-28!,f=-34!) USER MOD Single : A 79 HIS :FLIP no HD1:sc= -0.911 F(o=-4.8!,f=-0.91) USER MOD Single : A 83 GLN : amide:sc= -0.234 X(o=-0.23,f=-0.51) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 68.654 -13.494 -10.003 1.00 1.00 N ATOM 2 CA MET A 1 68.858 -14.484 -8.908 1.00 1.00 C ATOM 3 C MET A 1 68.496 -13.843 -7.567 1.00 1.00 C ATOM 4 O MET A 1 69.216 -13.011 -7.051 1.00 1.00 O ATOM 5 CB MET A 1 70.324 -14.923 -8.885 1.00 1.00 C ATOM 6 CG MET A 1 70.627 -15.758 -10.130 1.00 1.00 C ATOM 7 SD MET A 1 72.419 -15.916 -10.329 1.00 1.00 S ATOM 8 CE MET A 1 72.600 -17.515 -9.501 1.00 1.00 C ATOM 0 H1 MET A 1 68.058 -13.914 -10.744 1.00 1.00 H new ATOM 0 H2 MET A 1 68.187 -12.646 -9.622 1.00 1.00 H new ATOM 0 H3 MET A 1 69.575 -13.230 -10.408 1.00 1.00 H new ATOM 0 HA MET A 1 68.221 -15.352 -9.079 1.00 1.00 H new ATOM 0 HB2 MET A 1 70.976 -14.050 -8.853 1.00 1.00 H new ATOM 0 HB3 MET A 1 70.526 -15.505 -7.986 1.00 1.00 H new ATOM 0 HG2 MET A 1 70.172 -16.744 -10.039 1.00 1.00 H new ATOM 0 HG3 MET A 1 70.193 -15.287 -11.012 1.00 1.00 H new ATOM 0 HE1 MET A 1 73.649 -17.812 -9.508 1.00 1.00 H new ATOM 0 HE2 MET A 1 72.253 -17.433 -8.471 1.00 1.00 H new ATOM 0 HE3 MET A 1 72.007 -18.265 -10.025 1.00 1.00 H new ATOM 17 N ASN A 2 67.384 -14.223 -6.998 1.00 1.00 N ATOM 18 CA ASN A 2 66.974 -13.635 -5.689 1.00 1.00 C ATOM 19 C ASN A 2 66.118 -14.650 -4.927 1.00 1.00 C ATOM 20 O ASN A 2 65.381 -14.303 -4.025 1.00 1.00 O ATOM 21 CB ASN A 2 66.165 -12.348 -5.928 1.00 1.00 C ATOM 22 CG ASN A 2 66.253 -11.957 -7.404 1.00 1.00 C ATOM 23 OD1 ASN A 2 67.296 -11.552 -7.877 1.00 1.00 O ATOM 24 ND2 ASN A 2 65.193 -12.061 -8.158 1.00 1.00 N ATOM 0 H ASN A 2 66.741 -14.915 -7.383 1.00 1.00 H new ATOM 0 HA ASN A 2 67.861 -13.393 -5.104 1.00 1.00 H new ATOM 0 HB2 ASN A 2 65.124 -12.502 -5.643 1.00 1.00 H new ATOM 0 HB3 ASN A 2 66.551 -11.542 -5.304 1.00 1.00 H new ATOM 0 HD21 ASN A 2 65.241 -11.802 -9.144 1.00 1.00 H new ATOM 0 HD22 ASN A 2 64.317 -12.401 -7.762 1.00 1.00 H new ATOM 31 N LEU A 3 66.206 -15.903 -5.285 1.00 1.00 N ATOM 32 CA LEU A 3 65.396 -16.941 -4.585 1.00 1.00 C ATOM 33 C LEU A 3 66.220 -17.558 -3.452 1.00 1.00 C ATOM 34 O LEU A 3 65.982 -18.675 -3.039 1.00 1.00 O ATOM 35 CB LEU A 3 64.999 -18.034 -5.581 1.00 1.00 C ATOM 36 CG LEU A 3 63.821 -17.550 -6.428 1.00 1.00 C ATOM 37 CD1 LEU A 3 64.244 -16.325 -7.240 1.00 1.00 C ATOM 38 CD2 LEU A 3 63.385 -18.666 -7.379 1.00 1.00 C ATOM 0 H LEU A 3 66.805 -16.253 -6.033 1.00 1.00 H new ATOM 0 HA LEU A 3 64.499 -16.482 -4.170 1.00 1.00 H new ATOM 0 HB2 LEU A 3 65.845 -18.280 -6.223 1.00 1.00 H new ATOM 0 HB3 LEU A 3 64.727 -18.945 -5.048 1.00 1.00 H new ATOM 0 HG LEU A 3 62.990 -17.283 -5.775 1.00 1.00 H new ATOM 0 HD11 LEU A 3 63.404 -15.981 -7.843 1.00 1.00 H new ATOM 0 HD12 LEU A 3 64.555 -15.529 -6.563 1.00 1.00 H new ATOM 0 HD13 LEU A 3 65.075 -16.591 -7.893 1.00 1.00 H new ATOM 0 HD21 LEU A 3 62.545 -18.322 -7.983 1.00 1.00 H new ATOM 0 HD22 LEU A 3 64.216 -18.933 -8.032 1.00 1.00 H new ATOM 0 HD23 LEU A 3 63.082 -19.539 -6.801 1.00 1.00 H new ATOM 50 N GLU A 4 67.185 -16.840 -2.944 1.00 1.00 N ATOM 51 CA GLU A 4 68.018 -17.390 -1.836 1.00 1.00 C ATOM 52 C GLU A 4 67.284 -17.180 -0.503 1.00 1.00 C ATOM 53 O GLU A 4 67.060 -16.058 -0.096 1.00 1.00 O ATOM 54 CB GLU A 4 69.361 -16.655 -1.796 1.00 1.00 C ATOM 55 CG GLU A 4 69.916 -16.525 -3.216 1.00 1.00 C ATOM 56 CD GLU A 4 69.227 -15.361 -3.930 1.00 1.00 C ATOM 57 OE1 GLU A 4 69.038 -14.334 -3.299 1.00 1.00 O ATOM 58 OE2 GLU A 4 68.900 -15.517 -5.095 1.00 1.00 O ATOM 0 H GLU A 4 67.432 -15.898 -3.248 1.00 1.00 H new ATOM 0 HA GLU A 4 68.190 -18.454 -1.999 1.00 1.00 H new ATOM 0 HB2 GLU A 4 69.234 -15.668 -1.352 1.00 1.00 H new ATOM 0 HB3 GLU A 4 70.066 -17.199 -1.167 1.00 1.00 H new ATOM 0 HG2 GLU A 4 70.993 -16.359 -3.183 1.00 1.00 H new ATOM 0 HG3 GLU A 4 69.753 -17.451 -3.767 1.00 1.00 H new ATOM 65 N PRO A 5 66.908 -18.241 0.174 1.00 1.00 N ATOM 66 CA PRO A 5 66.184 -18.145 1.475 1.00 1.00 C ATOM 67 C PRO A 5 66.741 -17.033 2.375 1.00 1.00 C ATOM 68 O PRO A 5 67.759 -17.203 3.015 1.00 1.00 O ATOM 69 CB PRO A 5 66.420 -19.517 2.104 1.00 1.00 C ATOM 70 CG PRO A 5 66.539 -20.451 0.944 1.00 1.00 C ATOM 71 CD PRO A 5 67.129 -19.643 -0.218 1.00 1.00 C ATOM 0 HA PRO A 5 65.131 -17.895 1.343 1.00 1.00 H new ATOM 0 HB2 PRO A 5 67.325 -19.523 2.712 1.00 1.00 H new ATOM 0 HB3 PRO A 5 65.595 -19.800 2.757 1.00 1.00 H new ATOM 0 HG2 PRO A 5 67.181 -21.296 1.193 1.00 1.00 H new ATOM 0 HG3 PRO A 5 65.565 -20.859 0.675 1.00 1.00 H new ATOM 0 HD2 PRO A 5 68.189 -19.857 -0.355 1.00 1.00 H new ATOM 0 HD3 PRO A 5 66.632 -19.877 -1.160 1.00 1.00 H new ATOM 79 N PRO A 6 66.080 -15.903 2.423 1.00 1.00 N ATOM 80 CA PRO A 6 66.517 -14.752 3.255 1.00 1.00 C ATOM 81 C PRO A 6 65.970 -14.828 4.684 1.00 1.00 C ATOM 82 O PRO A 6 64.790 -15.030 4.895 1.00 1.00 O ATOM 83 CB PRO A 6 65.920 -13.558 2.515 1.00 1.00 C ATOM 84 CG PRO A 6 64.659 -14.079 1.903 1.00 1.00 C ATOM 85 CD PRO A 6 64.846 -15.587 1.686 1.00 1.00 C ATOM 0 HA PRO A 6 67.600 -14.708 3.371 1.00 1.00 H new ATOM 0 HB2 PRO A 6 65.717 -12.732 3.196 1.00 1.00 H new ATOM 0 HB3 PRO A 6 66.604 -13.183 1.753 1.00 1.00 H new ATOM 0 HG2 PRO A 6 63.807 -13.887 2.556 1.00 1.00 H new ATOM 0 HG3 PRO A 6 64.455 -13.577 0.957 1.00 1.00 H new ATOM 0 HD2 PRO A 6 63.997 -16.153 2.068 1.00 1.00 H new ATOM 0 HD3 PRO A 6 64.940 -15.829 0.627 1.00 1.00 H new ATOM 93 N LYS A 7 66.813 -14.663 5.665 1.00 1.00 N ATOM 94 CA LYS A 7 66.330 -14.721 7.073 1.00 1.00 C ATOM 95 C LYS A 7 65.631 -13.405 7.416 1.00 1.00 C ATOM 96 O LYS A 7 65.436 -13.074 8.569 1.00 1.00 O ATOM 97 CB LYS A 7 67.517 -14.932 8.019 1.00 1.00 C ATOM 98 CG LYS A 7 68.600 -13.890 7.731 1.00 1.00 C ATOM 99 CD LYS A 7 69.755 -14.549 6.974 1.00 1.00 C ATOM 100 CE LYS A 7 70.885 -13.536 6.783 1.00 1.00 C ATOM 101 NZ LYS A 7 71.850 -14.053 5.772 1.00 1.00 N ATOM 0 H LYS A 7 67.812 -14.491 5.554 1.00 1.00 H new ATOM 0 HA LYS A 7 65.632 -15.550 7.186 1.00 1.00 H new ATOM 0 HB2 LYS A 7 67.187 -14.851 9.055 1.00 1.00 H new ATOM 0 HB3 LYS A 7 67.922 -15.936 7.891 1.00 1.00 H new ATOM 0 HG2 LYS A 7 68.185 -13.072 7.142 1.00 1.00 H new ATOM 0 HG3 LYS A 7 68.962 -13.459 8.664 1.00 1.00 H new ATOM 0 HD2 LYS A 7 70.119 -15.415 7.527 1.00 1.00 H new ATOM 0 HD3 LYS A 7 69.409 -14.911 6.006 1.00 1.00 H new ATOM 0 HE2 LYS A 7 70.478 -12.579 6.457 1.00 1.00 H new ATOM 0 HE3 LYS A 7 71.394 -13.360 7.731 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 72.619 -13.365 5.642 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 72.247 -14.956 6.101 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 71.359 -14.199 4.867 1.00 1.00 H new ATOM 115 N ALA A 8 65.255 -12.650 6.419 1.00 1.00 N ATOM 116 CA ALA A 8 64.571 -11.353 6.679 1.00 1.00 C ATOM 117 C ALA A 8 63.279 -11.598 7.460 1.00 1.00 C ATOM 118 O ALA A 8 62.198 -11.604 6.903 1.00 1.00 O ATOM 119 CB ALA A 8 64.242 -10.675 5.348 1.00 1.00 C ATOM 0 H ALA A 8 65.393 -12.877 5.434 1.00 1.00 H new ATOM 0 HA ALA A 8 65.228 -10.709 7.264 1.00 1.00 H new ATOM 0 HB1 ALA A 8 63.741 -9.726 5.537 1.00 1.00 H new ATOM 0 HB2 ALA A 8 65.163 -10.495 4.794 1.00 1.00 H new ATOM 0 HB3 ALA A 8 63.587 -11.320 4.763 1.00 1.00 H new ATOM 125 N GLU A 9 63.381 -11.791 8.747 1.00 1.00 N ATOM 126 CA GLU A 9 62.160 -12.026 9.571 1.00 1.00 C ATOM 127 C GLU A 9 61.764 -10.716 10.252 1.00 1.00 C ATOM 128 O GLU A 9 60.685 -10.196 10.045 1.00 1.00 O ATOM 129 CB GLU A 9 62.458 -13.086 10.634 1.00 1.00 C ATOM 130 CG GLU A 9 61.166 -13.452 11.368 1.00 1.00 C ATOM 131 CD GLU A 9 61.380 -14.737 12.169 1.00 1.00 C ATOM 132 OE1 GLU A 9 62.137 -15.577 11.712 1.00 1.00 O ATOM 133 OE2 GLU A 9 60.782 -14.860 13.225 1.00 1.00 O ATOM 0 HA GLU A 9 61.345 -12.374 8.936 1.00 1.00 H new ATOM 0 HB2 GLU A 9 62.887 -13.973 10.168 1.00 1.00 H new ATOM 0 HB3 GLU A 9 63.196 -12.709 11.342 1.00 1.00 H new ATOM 0 HG2 GLU A 9 60.871 -12.641 12.034 1.00 1.00 H new ATOM 0 HG3 GLU A 9 60.355 -13.588 10.653 1.00 1.00 H new ATOM 140 N CYS A 10 62.638 -10.174 11.057 1.00 1.00 N ATOM 141 CA CYS A 10 62.331 -8.889 11.748 1.00 1.00 C ATOM 142 C CYS A 10 63.010 -7.741 10.998 1.00 1.00 C ATOM 143 O CYS A 10 63.259 -6.686 11.549 1.00 1.00 O ATOM 144 CB CYS A 10 62.854 -8.947 13.187 1.00 1.00 C ATOM 145 SG CYS A 10 64.250 -10.095 13.276 1.00 1.00 S ATOM 0 HA CYS A 10 61.253 -8.726 11.764 1.00 1.00 H new ATOM 0 HB2 CYS A 10 63.165 -7.954 13.513 1.00 1.00 H new ATOM 0 HB3 CYS A 10 62.060 -9.270 13.861 1.00 1.00 H new ATOM 150 N ARG A 11 63.312 -7.943 9.743 1.00 1.00 N ATOM 151 CA ARG A 11 63.977 -6.873 8.944 1.00 1.00 C ATOM 152 C ARG A 11 63.316 -5.524 9.244 1.00 1.00 C ATOM 153 O ARG A 11 63.947 -4.607 9.731 1.00 1.00 O ATOM 154 CB ARG A 11 63.834 -7.201 7.453 1.00 1.00 C ATOM 155 CG ARG A 11 64.934 -6.490 6.662 1.00 1.00 C ATOM 156 CD ARG A 11 64.697 -4.979 6.702 1.00 1.00 C ATOM 157 NE ARG A 11 65.407 -4.396 7.876 1.00 1.00 N ATOM 158 CZ ARG A 11 65.805 -3.154 7.846 1.00 1.00 C ATOM 159 NH1 ARG A 11 65.582 -2.422 6.789 1.00 1.00 N ATOM 160 NH2 ARG A 11 66.427 -2.644 8.874 1.00 1.00 N ATOM 0 H ARG A 11 63.126 -8.807 9.235 1.00 1.00 H new ATOM 0 HA ARG A 11 65.034 -6.818 9.206 1.00 1.00 H new ATOM 0 HB2 ARG A 11 63.900 -8.278 7.300 1.00 1.00 H new ATOM 0 HB3 ARG A 11 62.854 -6.888 7.094 1.00 1.00 H new ATOM 0 HG2 ARG A 11 65.911 -6.727 7.084 1.00 1.00 H new ATOM 0 HG3 ARG A 11 64.939 -6.841 5.630 1.00 1.00 H new ATOM 0 HD2 ARG A 11 65.056 -4.519 5.781 1.00 1.00 H new ATOM 0 HD3 ARG A 11 63.629 -4.769 6.768 1.00 1.00 H new ATOM 0 HE ARG A 11 65.582 -4.968 8.702 1.00 1.00 H new ATOM 0 HH11 ARG A 11 65.096 -2.821 5.986 1.00 1.00 H new ATOM 0 HH12 ARG A 11 65.893 -1.451 6.766 1.00 1.00 H new ATOM 0 HH21 ARG A 11 66.602 -3.216 9.700 1.00 1.00 H new ATOM 0 HH22 ARG A 11 66.739 -1.673 8.851 1.00 1.00 H new ATOM 174 N SER A 12 62.048 -5.399 8.962 1.00 1.00 N ATOM 175 CA SER A 12 61.345 -4.112 9.234 1.00 1.00 C ATOM 176 C SER A 12 59.864 -4.387 9.499 1.00 1.00 C ATOM 177 O SER A 12 59.075 -4.525 8.586 1.00 1.00 O ATOM 178 CB SER A 12 61.483 -3.189 8.023 1.00 1.00 C ATOM 179 OG SER A 12 62.821 -2.718 7.941 1.00 1.00 O ATOM 0 H SER A 12 61.468 -6.132 8.555 1.00 1.00 H new ATOM 0 HA SER A 12 61.788 -3.634 10.107 1.00 1.00 H new ATOM 0 HB2 SER A 12 61.217 -3.724 7.111 1.00 1.00 H new ATOM 0 HB3 SER A 12 60.794 -2.349 8.112 1.00 1.00 H new ATOM 0 HG SER A 12 62.913 -2.127 7.164 1.00 1.00 H new ATOM 185 N ALA A 13 59.478 -4.466 10.745 1.00 1.00 N ATOM 186 CA ALA A 13 58.047 -4.729 11.069 1.00 1.00 C ATOM 187 C ALA A 13 57.300 -3.400 11.188 1.00 1.00 C ATOM 188 O ALA A 13 56.172 -3.348 11.638 1.00 1.00 O ATOM 189 CB ALA A 13 57.955 -5.485 12.397 1.00 1.00 C ATOM 0 H ALA A 13 60.093 -4.360 11.552 1.00 1.00 H new ATOM 0 HA ALA A 13 57.599 -5.329 10.277 1.00 1.00 H new ATOM 0 HB1 ALA A 13 56.909 -5.678 12.634 1.00 1.00 H new ATOM 0 HB2 ALA A 13 58.489 -6.432 12.314 1.00 1.00 H new ATOM 0 HB3 ALA A 13 58.402 -4.885 13.189 1.00 1.00 H new ATOM 195 N THR A 14 57.919 -2.323 10.787 1.00 1.00 N ATOM 196 CA THR A 14 57.244 -0.998 10.877 1.00 1.00 C ATOM 197 C THR A 14 58.084 0.053 10.148 1.00 1.00 C ATOM 198 O THR A 14 57.761 1.224 10.142 1.00 1.00 O ATOM 199 CB THR A 14 57.095 -0.600 12.348 1.00 1.00 C ATOM 200 OG1 THR A 14 56.361 0.613 12.436 1.00 1.00 O ATOM 201 CG2 THR A 14 58.479 -0.408 12.970 1.00 1.00 C ATOM 0 H THR A 14 58.863 -2.304 10.401 1.00 1.00 H new ATOM 0 HA THR A 14 56.259 -1.060 10.415 1.00 1.00 H new ATOM 0 HB THR A 14 56.565 -1.386 12.886 1.00 1.00 H new ATOM 0 HG1 THR A 14 56.483 1.130 11.612 1.00 1.00 H new ATOM 0 HG21 THR A 14 58.371 -0.125 14.017 1.00 1.00 H new ATOM 0 HG22 THR A 14 59.041 -1.340 12.902 1.00 1.00 H new ATOM 0 HG23 THR A 14 59.013 0.377 12.435 1.00 1.00 H new ATOM 209 N ARG A 15 59.160 -0.358 9.533 1.00 1.00 N ATOM 210 CA ARG A 15 60.021 0.617 8.805 1.00 1.00 C ATOM 211 C ARG A 15 60.377 1.777 9.734 1.00 1.00 C ATOM 212 O ARG A 15 59.912 1.855 10.854 1.00 1.00 O ATOM 213 CB ARG A 15 59.268 1.152 7.583 1.00 1.00 C ATOM 214 CG ARG A 15 58.926 -0.006 6.643 1.00 1.00 C ATOM 215 CD ARG A 15 60.093 -0.245 5.682 1.00 1.00 C ATOM 216 NE ARG A 15 59.981 -1.611 5.097 1.00 1.00 N ATOM 217 CZ ARG A 15 59.031 -1.879 4.243 1.00 1.00 C ATOM 218 NH1 ARG A 15 58.179 -0.951 3.902 1.00 1.00 N ATOM 219 NH2 ARG A 15 58.934 -3.075 3.730 1.00 1.00 N ATOM 0 H ARG A 15 59.480 -1.326 9.503 1.00 1.00 H new ATOM 0 HA ARG A 15 60.935 0.121 8.479 1.00 1.00 H new ATOM 0 HB2 ARG A 15 58.356 1.659 7.898 1.00 1.00 H new ATOM 0 HB3 ARG A 15 59.878 1.889 7.061 1.00 1.00 H new ATOM 0 HG2 ARG A 15 58.725 -0.909 7.219 1.00 1.00 H new ATOM 0 HG3 ARG A 15 58.020 0.222 6.082 1.00 1.00 H new ATOM 0 HD2 ARG A 15 60.085 0.504 4.890 1.00 1.00 H new ATOM 0 HD3 ARG A 15 61.041 -0.140 6.210 1.00 1.00 H new ATOM 0 HE ARG A 15 60.647 -2.336 5.364 1.00 1.00 H new ATOM 0 HH11 ARG A 15 58.256 -0.016 4.303 1.00 1.00 H new ATOM 0 HH12 ARG A 15 57.437 -1.161 3.235 1.00 1.00 H new ATOM 0 HH21 ARG A 15 59.600 -3.800 3.996 1.00 1.00 H new ATOM 0 HH22 ARG A 15 58.192 -3.285 3.063 1.00 1.00 H new ATOM 233 N VAL A 16 61.203 2.679 9.278 1.00 1.00 N ATOM 234 CA VAL A 16 61.597 3.835 10.132 1.00 1.00 C ATOM 235 C VAL A 16 60.734 5.049 9.780 1.00 1.00 C ATOM 236 O VAL A 16 59.688 4.925 9.174 1.00 1.00 O ATOM 237 CB VAL A 16 63.069 4.167 9.883 1.00 1.00 C ATOM 238 CG1 VAL A 16 63.948 3.051 10.451 1.00 1.00 C ATOM 239 CG2 VAL A 16 63.315 4.292 8.378 1.00 1.00 C ATOM 0 H VAL A 16 61.623 2.665 8.349 1.00 1.00 H new ATOM 0 HA VAL A 16 61.451 3.580 11.182 1.00 1.00 H new ATOM 0 HB VAL A 16 63.316 5.109 10.373 1.00 1.00 H new ATOM 0 HG11 VAL A 16 64.997 3.288 10.273 1.00 1.00 H new ATOM 0 HG12 VAL A 16 63.773 2.960 11.523 1.00 1.00 H new ATOM 0 HG13 VAL A 16 63.701 2.109 9.962 1.00 1.00 H new ATOM 0 HG21 VAL A 16 64.364 4.529 8.199 1.00 1.00 H new ATOM 0 HG22 VAL A 16 63.067 3.350 7.889 1.00 1.00 H new ATOM 0 HG23 VAL A 16 62.689 5.087 7.972 1.00 1.00 H new ATOM 249 N MET A 17 61.164 6.222 10.156 1.00 1.00 N ATOM 250 CA MET A 17 60.372 7.445 9.845 1.00 1.00 C ATOM 251 C MET A 17 61.219 8.684 10.138 1.00 1.00 C ATOM 252 O MET A 17 60.903 9.473 11.007 1.00 1.00 O ATOM 253 CB MET A 17 59.112 7.471 10.714 1.00 1.00 C ATOM 254 CG MET A 17 58.140 8.521 10.173 1.00 1.00 C ATOM 255 SD MET A 17 57.340 7.890 8.678 1.00 1.00 S ATOM 256 CE MET A 17 56.126 9.219 8.491 1.00 1.00 C ATOM 0 H MET A 17 62.032 6.386 10.666 1.00 1.00 H new ATOM 0 HA MET A 17 60.087 7.438 8.793 1.00 1.00 H new ATOM 0 HB2 MET A 17 58.639 6.489 10.716 1.00 1.00 H new ATOM 0 HB3 MET A 17 59.374 7.701 11.747 1.00 1.00 H new ATOM 0 HG2 MET A 17 57.390 8.760 10.927 1.00 1.00 H new ATOM 0 HG3 MET A 17 58.673 9.445 9.950 1.00 1.00 H new ATOM 0 HE1 MET A 17 55.511 9.029 7.611 1.00 1.00 H new ATOM 0 HE2 MET A 17 55.491 9.259 9.376 1.00 1.00 H new ATOM 0 HE3 MET A 17 56.644 10.171 8.373 1.00 1.00 H new ATOM 266 N GLY A 18 62.297 8.861 9.424 1.00 1.00 N ATOM 267 CA GLY A 18 63.165 10.047 9.667 1.00 1.00 C ATOM 268 C GLY A 18 64.002 9.811 10.924 1.00 1.00 C ATOM 269 O GLY A 18 65.215 9.771 10.877 1.00 1.00 O ATOM 0 H GLY A 18 62.614 8.236 8.683 1.00 1.00 H new ATOM 0 HA2 GLY A 18 63.816 10.218 8.809 1.00 1.00 H new ATOM 0 HA3 GLY A 18 62.553 10.941 9.786 1.00 1.00 H new ATOM 273 N GLY A 19 63.362 9.646 12.049 1.00 1.00 N ATOM 274 CA GLY A 19 64.116 9.404 13.312 1.00 1.00 C ATOM 275 C GLY A 19 64.547 10.741 13.922 1.00 1.00 C ATOM 276 O GLY A 19 64.293 11.793 13.370 1.00 1.00 O ATOM 0 H GLY A 19 62.347 9.668 12.148 1.00 1.00 H new ATOM 0 HA2 GLY A 19 63.494 8.855 14.019 1.00 1.00 H new ATOM 0 HA3 GLY A 19 64.991 8.786 13.111 1.00 1.00 H new ATOM 280 N PRO A 20 65.194 10.696 15.057 1.00 1.00 N ATOM 281 CA PRO A 20 65.672 11.922 15.765 1.00 1.00 C ATOM 282 C PRO A 20 66.634 12.754 14.907 1.00 1.00 C ATOM 283 O PRO A 20 67.227 13.705 15.376 1.00 1.00 O ATOM 284 CB PRO A 20 66.394 11.384 17.010 1.00 1.00 C ATOM 285 CG PRO A 20 65.910 9.982 17.185 1.00 1.00 C ATOM 286 CD PRO A 20 65.538 9.471 15.793 1.00 1.00 C ATOM 0 HA PRO A 20 64.845 12.591 16.002 1.00 1.00 H new ATOM 0 HB2 PRO A 20 67.476 11.411 16.877 1.00 1.00 H new ATOM 0 HB3 PRO A 20 66.165 11.989 17.887 1.00 1.00 H new ATOM 0 HG2 PRO A 20 66.684 9.358 17.633 1.00 1.00 H new ATOM 0 HG3 PRO A 20 65.049 9.950 17.852 1.00 1.00 H new ATOM 0 HD2 PRO A 20 66.368 8.942 15.325 1.00 1.00 H new ATOM 0 HD3 PRO A 20 64.698 8.777 15.832 1.00 1.00 H new ATOM 294 N CYS A 21 66.799 12.402 13.658 1.00 1.00 N ATOM 295 CA CYS A 21 67.726 13.175 12.781 1.00 1.00 C ATOM 296 C CYS A 21 67.078 13.384 11.410 1.00 1.00 C ATOM 297 O CYS A 21 66.435 12.503 10.875 1.00 1.00 O ATOM 298 CB CYS A 21 69.045 12.404 12.621 1.00 1.00 C ATOM 299 SG CYS A 21 69.018 10.935 13.677 1.00 1.00 S ATOM 0 H CYS A 21 66.332 11.614 13.209 1.00 1.00 H new ATOM 0 HA CYS A 21 67.930 14.145 13.233 1.00 1.00 H new ATOM 0 HB2 CYS A 21 69.185 12.114 11.580 1.00 1.00 H new ATOM 0 HB3 CYS A 21 69.887 13.042 12.890 1.00 1.00 H new ATOM 304 N THR A 22 67.242 14.551 10.842 1.00 1.00 N ATOM 305 CA THR A 22 66.641 14.837 9.505 1.00 1.00 C ATOM 306 C THR A 22 67.759 14.931 8.458 1.00 1.00 C ATOM 307 O THR A 22 68.441 15.933 8.369 1.00 1.00 O ATOM 308 CB THR A 22 65.895 16.173 9.565 1.00 1.00 C ATOM 309 OG1 THR A 22 64.807 16.065 10.471 1.00 1.00 O ATOM 310 CG2 THR A 22 65.370 16.530 8.173 1.00 1.00 C ATOM 0 H THR A 22 67.770 15.323 11.250 1.00 1.00 H new ATOM 0 HA THR A 22 65.949 14.039 9.234 1.00 1.00 H new ATOM 0 HB THR A 22 66.575 16.954 9.905 1.00 1.00 H new ATOM 0 HG1 THR A 22 64.329 16.920 10.512 1.00 1.00 H new ATOM 0 HG21 THR A 22 64.839 17.481 8.217 1.00 1.00 H new ATOM 0 HG22 THR A 22 66.206 16.613 7.479 1.00 1.00 H new ATOM 0 HG23 THR A 22 64.690 15.751 7.830 1.00 1.00 H new ATOM 318 N PRO A 23 67.954 13.900 7.672 1.00 1.00 N ATOM 319 CA PRO A 23 69.018 13.885 6.626 1.00 1.00 C ATOM 320 C PRO A 23 68.993 15.146 5.756 1.00 1.00 C ATOM 321 O PRO A 23 68.201 16.043 5.967 1.00 1.00 O ATOM 322 CB PRO A 23 68.691 12.647 5.786 1.00 1.00 C ATOM 323 CG PRO A 23 67.933 11.743 6.702 1.00 1.00 C ATOM 324 CD PRO A 23 67.190 12.642 7.694 1.00 1.00 C ATOM 0 HA PRO A 23 70.015 13.859 7.065 1.00 1.00 H new ATOM 0 HB2 PRO A 23 68.096 12.910 4.911 1.00 1.00 H new ATOM 0 HB3 PRO A 23 69.599 12.167 5.421 1.00 1.00 H new ATOM 0 HG2 PRO A 23 67.233 11.124 6.142 1.00 1.00 H new ATOM 0 HG3 PRO A 23 68.609 11.066 7.225 1.00 1.00 H new ATOM 0 HD2 PRO A 23 66.154 12.798 7.393 1.00 1.00 H new ATOM 0 HD3 PRO A 23 67.170 12.204 8.692 1.00 1.00 H new ATOM 332 N ARG A 24 69.853 15.218 4.777 1.00 1.00 N ATOM 333 CA ARG A 24 69.876 16.417 3.893 1.00 1.00 C ATOM 334 C ARG A 24 68.526 16.533 3.178 1.00 1.00 C ATOM 335 O ARG A 24 68.312 17.419 2.374 1.00 1.00 O ATOM 336 CB ARG A 24 71.004 16.262 2.858 1.00 1.00 C ATOM 337 CG ARG A 24 72.154 17.209 3.206 1.00 1.00 C ATOM 338 CD ARG A 24 71.646 18.652 3.205 1.00 1.00 C ATOM 339 NE ARG A 24 70.320 18.711 2.526 1.00 1.00 N ATOM 340 CZ ARG A 24 69.544 19.746 2.700 1.00 1.00 C ATOM 341 NH1 ARG A 24 69.929 20.729 3.467 1.00 1.00 N ATOM 342 NH2 ARG A 24 68.383 19.798 2.105 1.00 1.00 N ATOM 0 H ARG A 24 70.540 14.499 4.551 1.00 1.00 H new ATOM 0 HA ARG A 24 70.053 17.315 4.484 1.00 1.00 H new ATOM 0 HB2 ARG A 24 71.360 15.232 2.844 1.00 1.00 H new ATOM 0 HB3 ARG A 24 70.628 16.483 1.859 1.00 1.00 H new ATOM 0 HG2 ARG A 24 72.563 16.957 4.184 1.00 1.00 H new ATOM 0 HG3 ARG A 24 72.963 17.097 2.484 1.00 1.00 H new ATOM 0 HD2 ARG A 24 71.560 19.019 4.228 1.00 1.00 H new ATOM 0 HD3 ARG A 24 72.358 19.299 2.693 1.00 1.00 H new ATOM 0 HE ARG A 24 70.019 17.943 1.926 1.00 1.00 H new ATOM 0 HH11 ARG A 24 70.837 20.689 3.931 1.00 1.00 H new ATOM 0 HH12 ARG A 24 69.322 21.538 3.603 1.00 1.00 H new ATOM 0 HH21 ARG A 24 68.083 19.030 1.505 1.00 1.00 H new ATOM 0 HH22 ARG A 24 67.776 20.607 2.241 1.00 1.00 H new ATOM 356 N LYS A 25 67.615 15.643 3.464 1.00 1.00 N ATOM 357 CA LYS A 25 66.282 15.698 2.803 1.00 1.00 C ATOM 358 C LYS A 25 66.472 15.700 1.285 1.00 1.00 C ATOM 359 O LYS A 25 66.750 16.720 0.686 1.00 1.00 O ATOM 360 CB LYS A 25 65.551 16.972 3.232 1.00 1.00 C ATOM 361 CG LYS A 25 64.092 16.905 2.775 1.00 1.00 C ATOM 362 CD LYS A 25 63.349 15.845 3.590 1.00 1.00 C ATOM 363 CE LYS A 25 61.863 16.200 3.655 1.00 1.00 C ATOM 364 NZ LYS A 25 61.131 15.139 4.403 1.00 1.00 N ATOM 0 H LYS A 25 67.738 14.879 4.128 1.00 1.00 H new ATOM 0 HA LYS A 25 65.692 14.830 3.095 1.00 1.00 H new ATOM 0 HB2 LYS A 25 65.599 17.083 4.315 1.00 1.00 H new ATOM 0 HB3 LYS A 25 66.038 17.846 2.800 1.00 1.00 H new ATOM 0 HG2 LYS A 25 63.615 17.877 2.902 1.00 1.00 H new ATOM 0 HG3 LYS A 25 64.043 16.663 1.713 1.00 1.00 H new ATOM 0 HD2 LYS A 25 63.480 14.863 3.135 1.00 1.00 H new ATOM 0 HD3 LYS A 25 63.764 15.787 4.596 1.00 1.00 H new ATOM 0 HE2 LYS A 25 61.730 17.164 4.146 1.00 1.00 H new ATOM 0 HE3 LYS A 25 61.457 16.296 2.648 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 60.120 15.380 4.447 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 61.248 14.227 3.916 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 61.513 15.068 5.368 1.00 1.00 H new ATOM 378 N GLY A 26 66.329 14.564 0.659 1.00 1.00 N ATOM 379 CA GLY A 26 66.508 14.500 -0.819 1.00 1.00 C ATOM 380 C GLY A 26 67.819 15.189 -1.203 1.00 1.00 C ATOM 381 O GLY A 26 67.824 16.267 -1.762 1.00 1.00 O ATOM 0 H GLY A 26 66.096 13.678 1.107 1.00 1.00 H new ATOM 0 HA2 GLY A 26 66.520 13.462 -1.150 1.00 1.00 H new ATOM 0 HA3 GLY A 26 65.670 14.985 -1.319 1.00 1.00 H new ATOM 385 N PRO A 27 68.923 14.565 -0.894 1.00 1.00 N ATOM 386 CA PRO A 27 70.277 15.107 -1.194 1.00 1.00 C ATOM 387 C PRO A 27 70.633 14.973 -2.680 1.00 1.00 C ATOM 388 O PRO A 27 69.922 14.347 -3.441 1.00 1.00 O ATOM 389 CB PRO A 27 71.228 14.253 -0.330 1.00 1.00 C ATOM 390 CG PRO A 27 70.367 13.337 0.481 1.00 1.00 C ATOM 391 CD PRO A 27 69.008 13.269 -0.213 1.00 1.00 C ATOM 0 HA PRO A 27 70.342 16.173 -0.974 1.00 1.00 H new ATOM 0 HB2 PRO A 27 71.915 13.684 -0.957 1.00 1.00 H new ATOM 0 HB3 PRO A 27 71.836 14.886 0.317 1.00 1.00 H new ATOM 0 HG2 PRO A 27 70.815 12.346 0.548 1.00 1.00 H new ATOM 0 HG3 PRO A 27 70.261 13.709 1.500 1.00 1.00 H new ATOM 0 HD2 PRO A 27 68.955 12.438 -0.917 1.00 1.00 H new ATOM 0 HD3 PRO A 27 68.196 13.134 0.501 1.00 1.00 H new ATOM 399 N PRO A 28 71.732 15.554 -3.086 1.00 1.00 N ATOM 400 CA PRO A 28 72.196 15.497 -4.500 1.00 1.00 C ATOM 401 C PRO A 28 72.069 14.089 -5.091 1.00 1.00 C ATOM 402 O PRO A 28 72.242 13.101 -4.405 1.00 1.00 O ATOM 403 CB PRO A 28 73.665 15.916 -4.410 1.00 1.00 C ATOM 404 CG PRO A 28 73.746 16.797 -3.207 1.00 1.00 C ATOM 405 CD PRO A 28 72.654 16.330 -2.240 1.00 1.00 C ATOM 0 HA PRO A 28 71.602 16.135 -5.154 1.00 1.00 H new ATOM 0 HB2 PRO A 28 74.317 15.048 -4.308 1.00 1.00 H new ATOM 0 HB3 PRO A 28 73.979 16.446 -5.309 1.00 1.00 H new ATOM 0 HG2 PRO A 28 74.729 16.727 -2.742 1.00 1.00 H new ATOM 0 HG3 PRO A 28 73.598 17.841 -3.482 1.00 1.00 H new ATOM 0 HD2 PRO A 28 73.067 15.720 -1.437 1.00 1.00 H new ATOM 0 HD3 PRO A 28 72.149 17.175 -1.771 1.00 1.00 H new ATOM 413 N LYS A 29 71.765 13.989 -6.355 1.00 1.00 N ATOM 414 CA LYS A 29 71.626 12.644 -6.981 1.00 1.00 C ATOM 415 C LYS A 29 73.009 12.010 -7.147 1.00 1.00 C ATOM 416 O LYS A 29 73.275 11.327 -8.116 1.00 1.00 O ATOM 417 CB LYS A 29 70.956 12.785 -8.352 1.00 1.00 C ATOM 418 CG LYS A 29 69.441 12.897 -8.171 1.00 1.00 C ATOM 419 CD LYS A 29 68.780 13.131 -9.530 1.00 1.00 C ATOM 420 CE LYS A 29 69.091 11.956 -10.459 1.00 1.00 C ATOM 421 NZ LYS A 29 68.009 11.826 -11.476 1.00 1.00 N ATOM 0 H LYS A 29 71.607 14.779 -6.981 1.00 1.00 H new ATOM 0 HA LYS A 29 71.013 12.008 -6.342 1.00 1.00 H new ATOM 0 HB2 LYS A 29 71.338 13.667 -8.866 1.00 1.00 H new ATOM 0 HB3 LYS A 29 71.196 11.924 -8.976 1.00 1.00 H new ATOM 0 HG2 LYS A 29 69.050 11.986 -7.717 1.00 1.00 H new ATOM 0 HG3 LYS A 29 69.205 13.718 -7.494 1.00 1.00 H new ATOM 0 HD2 LYS A 29 67.702 13.236 -9.408 1.00 1.00 H new ATOM 0 HD3 LYS A 29 69.144 14.061 -9.968 1.00 1.00 H new ATOM 0 HE2 LYS A 29 70.051 12.112 -10.952 1.00 1.00 H new ATOM 0 HE3 LYS A 29 69.175 11.035 -9.882 1.00 1.00 H new ATOM 0 HZ1 LYS A 29 68.220 11.027 -12.108 1.00 1.00 H new ATOM 0 HZ2 LYS A 29 67.101 11.658 -10.997 1.00 1.00 H new ATOM 0 HZ3 LYS A 29 67.950 12.702 -12.034 1.00 1.00 H new ATOM 435 N CYS A 30 73.893 12.225 -6.210 1.00 1.00 N ATOM 436 CA CYS A 30 75.252 11.625 -6.325 1.00 1.00 C ATOM 437 C CYS A 30 75.963 12.214 -7.549 1.00 1.00 C ATOM 438 O CYS A 30 75.981 13.412 -7.747 1.00 1.00 O ATOM 439 CB CYS A 30 75.120 10.107 -6.479 1.00 1.00 C ATOM 440 SG CYS A 30 76.588 9.299 -5.795 1.00 1.00 S ATOM 0 H CYS A 30 73.733 12.787 -5.374 1.00 1.00 H new ATOM 0 HA CYS A 30 75.834 11.847 -5.431 1.00 1.00 H new ATOM 0 HB2 CYS A 30 74.226 9.755 -5.965 1.00 1.00 H new ATOM 0 HB3 CYS A 30 75.006 9.846 -7.531 1.00 1.00 H new ATOM 445 N LYS A 31 76.543 11.380 -8.373 1.00 1.00 N ATOM 446 CA LYS A 31 77.247 11.881 -9.592 1.00 1.00 C ATOM 447 C LYS A 31 78.622 12.435 -9.216 1.00 1.00 C ATOM 448 O LYS A 31 79.532 12.464 -10.021 1.00 1.00 O ATOM 449 CB LYS A 31 76.410 12.985 -10.258 1.00 1.00 C ATOM 450 CG LYS A 31 76.651 12.972 -11.769 1.00 1.00 C ATOM 451 CD LYS A 31 75.691 11.981 -12.431 1.00 1.00 C ATOM 452 CE LYS A 31 75.880 12.024 -13.948 1.00 1.00 C ATOM 453 NZ LYS A 31 74.716 11.371 -14.612 1.00 1.00 N ATOM 0 H LYS A 31 76.559 10.367 -8.253 1.00 1.00 H new ATOM 0 HA LYS A 31 77.376 11.054 -10.290 1.00 1.00 H new ATOM 0 HB2 LYS A 31 75.352 12.830 -10.047 1.00 1.00 H new ATOM 0 HB3 LYS A 31 76.678 13.958 -9.845 1.00 1.00 H new ATOM 0 HG2 LYS A 31 76.501 13.970 -12.180 1.00 1.00 H new ATOM 0 HG3 LYS A 31 77.683 12.692 -11.981 1.00 1.00 H new ATOM 0 HD2 LYS A 31 75.878 10.974 -12.059 1.00 1.00 H new ATOM 0 HD3 LYS A 31 74.661 12.230 -12.175 1.00 1.00 H new ATOM 0 HE2 LYS A 31 75.972 13.057 -14.285 1.00 1.00 H new ATOM 0 HE3 LYS A 31 76.803 11.515 -14.225 1.00 1.00 H new ATOM 0 HZ1 LYS A 31 74.844 11.400 -15.644 1.00 1.00 H new ATOM 0 HZ2 LYS A 31 74.648 10.382 -14.299 1.00 1.00 H new ATOM 0 HZ3 LYS A 31 73.843 11.875 -14.357 1.00 1.00 H new ATOM 467 N GLN A 32 78.778 12.879 -8.002 1.00 1.00 N ATOM 468 CA GLN A 32 80.093 13.438 -7.569 1.00 1.00 C ATOM 469 C GLN A 32 80.658 14.336 -8.674 1.00 1.00 C ATOM 470 O GLN A 32 79.926 14.929 -9.441 1.00 1.00 O ATOM 471 CB GLN A 32 81.078 12.298 -7.294 1.00 1.00 C ATOM 472 CG GLN A 32 80.484 11.345 -6.255 1.00 1.00 C ATOM 473 CD GLN A 32 79.612 10.303 -6.956 1.00 1.00 C ATOM 474 OE1 GLN A 32 78.464 10.560 -7.261 1.00 1.00 O ATOM 475 NE2 GLN A 32 80.111 9.128 -7.228 1.00 1.00 N ATOM 0 H GLN A 32 78.051 12.880 -7.287 1.00 1.00 H new ATOM 0 HA GLN A 32 79.949 14.021 -6.659 1.00 1.00 H new ATOM 0 HB2 GLN A 32 81.292 11.758 -8.217 1.00 1.00 H new ATOM 0 HB3 GLN A 32 82.024 12.701 -6.933 1.00 1.00 H new ATOM 0 HG2 GLN A 32 81.282 10.852 -5.700 1.00 1.00 H new ATOM 0 HG3 GLN A 32 79.890 11.904 -5.531 1.00 1.00 H new ATOM 0 HE21 GLN A 32 81.074 8.911 -6.972 1.00 1.00 H new ATOM 0 HE22 GLN A 32 79.538 8.426 -7.696 1.00 1.00 H new ATOM 484 N ARG A 33 81.957 14.436 -8.762 1.00 1.00 N ATOM 485 CA ARG A 33 82.574 15.291 -9.817 1.00 1.00 C ATOM 486 C ARG A 33 82.912 14.422 -11.033 1.00 1.00 C ATOM 487 O ARG A 33 82.946 14.891 -12.154 1.00 1.00 O ATOM 488 CB ARG A 33 83.856 15.932 -9.257 1.00 1.00 C ATOM 489 CG ARG A 33 83.937 17.395 -9.698 1.00 1.00 C ATOM 490 CD ARG A 33 84.545 17.473 -11.100 1.00 1.00 C ATOM 491 NE ARG A 33 83.909 18.588 -11.856 1.00 1.00 N ATOM 492 CZ ARG A 33 84.111 19.824 -11.490 1.00 1.00 C ATOM 493 NH1 ARG A 33 84.871 20.083 -10.461 1.00 1.00 N ATOM 494 NH2 ARG A 33 83.554 20.800 -12.152 1.00 1.00 N ATOM 0 H ARG A 33 82.619 13.962 -8.148 1.00 1.00 H new ATOM 0 HA ARG A 33 81.880 16.076 -10.118 1.00 1.00 H new ATOM 0 HB2 ARG A 33 83.860 15.870 -8.169 1.00 1.00 H new ATOM 0 HB3 ARG A 33 84.731 15.387 -9.611 1.00 1.00 H new ATOM 0 HG2 ARG A 33 82.943 17.842 -9.696 1.00 1.00 H new ATOM 0 HG3 ARG A 33 84.544 17.965 -8.995 1.00 1.00 H new ATOM 0 HD2 ARG A 33 85.621 17.632 -11.033 1.00 1.00 H new ATOM 0 HD3 ARG A 33 84.395 16.530 -11.626 1.00 1.00 H new ATOM 0 HE ARG A 33 83.315 18.385 -12.660 1.00 1.00 H new ATOM 0 HH11 ARG A 33 85.307 19.319 -9.944 1.00 1.00 H new ATOM 0 HH12 ARG A 33 85.029 21.049 -10.174 1.00 1.00 H new ATOM 0 HH21 ARG A 33 82.960 20.597 -12.956 1.00 1.00 H new ATOM 0 HH22 ARG A 33 83.712 21.766 -11.866 1.00 1.00 H new ATOM 508 N GLN A 34 83.160 13.158 -10.818 1.00 1.00 N ATOM 509 CA GLN A 34 83.498 12.250 -11.956 1.00 1.00 C ATOM 510 C GLN A 34 82.743 10.928 -11.801 1.00 1.00 C ATOM 511 O GLN A 34 82.417 10.273 -12.771 1.00 1.00 O ATOM 512 CB GLN A 34 85.003 11.977 -11.958 1.00 1.00 C ATOM 513 CG GLN A 34 85.752 13.247 -12.367 1.00 1.00 C ATOM 514 CD GLN A 34 87.241 13.085 -12.054 1.00 1.00 C ATOM 515 OE1 GLN A 34 87.735 11.980 -11.950 1.00 1.00 O ATOM 516 NE2 GLN A 34 87.981 14.148 -11.897 1.00 1.00 N ATOM 0 H GLN A 34 83.143 12.712 -9.901 1.00 1.00 H new ATOM 0 HA GLN A 34 83.210 12.724 -12.894 1.00 1.00 H new ATOM 0 HB2 GLN A 34 85.326 11.654 -10.968 1.00 1.00 H new ATOM 0 HB3 GLN A 34 85.235 11.167 -12.649 1.00 1.00 H new ATOM 0 HG2 GLN A 34 85.612 13.438 -13.431 1.00 1.00 H new ATOM 0 HG3 GLN A 34 85.349 14.108 -11.833 1.00 1.00 H new ATOM 0 HE21 GLN A 34 87.566 15.076 -11.984 1.00 1.00 H new ATOM 0 HE22 GLN A 34 88.974 14.051 -11.687 1.00 1.00 H new ATOM 525 N THR A 35 82.465 10.531 -10.588 1.00 1.00 N ATOM 526 CA THR A 35 81.731 9.250 -10.363 1.00 1.00 C ATOM 527 C THR A 35 82.632 8.064 -10.721 1.00 1.00 C ATOM 528 O THR A 35 82.372 6.941 -10.337 1.00 1.00 O ATOM 529 CB THR A 35 80.468 9.216 -11.233 1.00 1.00 C ATOM 530 OG1 THR A 35 79.917 10.522 -11.315 1.00 1.00 O ATOM 531 CG2 THR A 35 79.443 8.265 -10.612 1.00 1.00 C ATOM 0 H THR A 35 82.715 11.040 -9.740 1.00 1.00 H new ATOM 0 HA THR A 35 81.448 9.182 -9.313 1.00 1.00 H new ATOM 0 HB THR A 35 80.724 8.866 -12.233 1.00 1.00 H new ATOM 0 HG1 THR A 35 80.088 11.002 -10.478 1.00 1.00 H new ATOM 0 HG21 THR A 35 78.546 8.242 -11.231 1.00 1.00 H new ATOM 0 HG22 THR A 35 79.867 7.263 -10.550 1.00 1.00 H new ATOM 0 HG23 THR A 35 79.184 8.612 -9.612 1.00 1.00 H new ATOM 539 N ARG A 36 83.690 8.304 -11.450 1.00 1.00 N ATOM 540 CA ARG A 36 84.609 7.189 -11.830 1.00 1.00 C ATOM 541 C ARG A 36 85.906 7.306 -11.023 1.00 1.00 C ATOM 542 O ARG A 36 86.875 6.623 -11.289 1.00 1.00 O ATOM 543 CB ARG A 36 84.927 7.280 -13.332 1.00 1.00 C ATOM 544 CG ARG A 36 84.056 6.285 -14.102 1.00 1.00 C ATOM 545 CD ARG A 36 82.589 6.707 -14.004 1.00 1.00 C ATOM 546 NE ARG A 36 81.732 5.683 -14.665 1.00 1.00 N ATOM 547 CZ ARG A 36 81.749 5.558 -15.964 1.00 1.00 C ATOM 548 NH1 ARG A 36 82.516 6.331 -16.684 1.00 1.00 N ATOM 549 NH2 ARG A 36 80.999 4.661 -16.543 1.00 1.00 N ATOM 0 H ARG A 36 83.958 9.224 -11.799 1.00 1.00 H new ATOM 0 HA ARG A 36 84.133 6.232 -11.618 1.00 1.00 H new ATOM 0 HB2 ARG A 36 84.745 8.293 -13.692 1.00 1.00 H new ATOM 0 HB3 ARG A 36 85.982 7.065 -13.504 1.00 1.00 H new ATOM 0 HG2 ARG A 36 84.365 6.247 -15.146 1.00 1.00 H new ATOM 0 HG3 ARG A 36 84.185 5.282 -13.695 1.00 1.00 H new ATOM 0 HD2 ARG A 36 82.301 6.818 -12.959 1.00 1.00 H new ATOM 0 HD3 ARG A 36 82.446 7.678 -14.479 1.00 1.00 H new ATOM 0 HE ARG A 36 81.132 5.080 -14.102 1.00 1.00 H new ATOM 0 HH11 ARG A 36 83.102 7.033 -16.231 1.00 1.00 H new ATOM 0 HH12 ARG A 36 82.529 6.233 -17.699 1.00 1.00 H new ATOM 0 HH21 ARG A 36 80.399 4.057 -15.980 1.00 1.00 H new ATOM 0 HH22 ARG A 36 81.012 4.563 -17.558 1.00 1.00 H new ATOM 563 N GLN A 37 85.935 8.165 -10.040 1.00 1.00 N ATOM 564 CA GLN A 37 87.175 8.316 -9.227 1.00 1.00 C ATOM 565 C GLN A 37 87.418 7.039 -8.415 1.00 1.00 C ATOM 566 O GLN A 37 87.284 7.013 -7.210 1.00 1.00 O ATOM 567 CB GLN A 37 87.050 9.536 -8.296 1.00 1.00 C ATOM 568 CG GLN A 37 85.992 9.268 -7.224 1.00 1.00 C ATOM 569 CD GLN A 37 84.838 8.469 -7.834 1.00 1.00 C ATOM 570 OE1 GLN A 37 83.942 9.087 -8.554 1.00 1.00 O flip ATOM 571 NE2 GLN A 37 84.751 7.271 -7.652 1.00 1.00 N flip ATOM 0 H GLN A 37 85.158 8.766 -9.766 1.00 1.00 H new ATOM 0 HA GLN A 37 88.025 8.476 -9.890 1.00 1.00 H new ATOM 0 HB2 GLN A 37 88.011 9.746 -7.826 1.00 1.00 H new ATOM 0 HB3 GLN A 37 86.778 10.419 -8.874 1.00 1.00 H new ATOM 0 HG2 GLN A 37 86.432 8.715 -6.394 1.00 1.00 H new ATOM 0 HG3 GLN A 37 85.622 10.210 -6.819 1.00 1.00 H new ATOM 0 HE21 GLN A 37 85.452 6.788 -7.089 1.00 1.00 H new ATOM 0 HE22 GLN A 37 83.977 6.748 -8.062 1.00 1.00 H new ATOM 580 N CYS A 38 87.785 5.975 -9.078 1.00 1.00 N ATOM 581 CA CYS A 38 88.050 4.692 -8.364 1.00 1.00 C ATOM 582 C CYS A 38 89.232 3.982 -9.029 1.00 1.00 C ATOM 583 O CYS A 38 89.862 4.517 -9.919 1.00 1.00 O ATOM 584 CB CYS A 38 86.804 3.805 -8.434 1.00 1.00 C ATOM 585 SG CYS A 38 85.326 4.828 -8.223 1.00 1.00 S ATOM 0 H CYS A 38 87.913 5.939 -10.089 1.00 1.00 H new ATOM 0 HA CYS A 38 88.289 4.892 -7.319 1.00 1.00 H new ATOM 0 HB2 CYS A 38 86.767 3.286 -9.392 1.00 1.00 H new ATOM 0 HB3 CYS A 38 86.844 3.040 -7.658 1.00 1.00 H new ATOM 590 N LYS A 39 89.552 2.787 -8.603 1.00 1.00 N ATOM 591 CA LYS A 39 90.708 2.067 -9.218 1.00 1.00 C ATOM 592 C LYS A 39 90.392 0.573 -9.348 1.00 1.00 C ATOM 593 O LYS A 39 89.381 0.188 -9.900 1.00 1.00 O ATOM 594 CB LYS A 39 91.952 2.249 -8.338 1.00 1.00 C ATOM 595 CG LYS A 39 92.349 3.726 -8.307 1.00 1.00 C ATOM 596 CD LYS A 39 91.630 4.424 -7.150 1.00 1.00 C ATOM 597 CE LYS A 39 92.539 4.441 -5.920 1.00 1.00 C ATOM 598 NZ LYS A 39 91.827 5.093 -4.785 1.00 1.00 N ATOM 0 H LYS A 39 89.067 2.281 -7.862 1.00 1.00 H new ATOM 0 HA LYS A 39 90.894 2.479 -10.210 1.00 1.00 H new ATOM 0 HB2 LYS A 39 91.749 1.896 -7.327 1.00 1.00 H new ATOM 0 HB3 LYS A 39 92.775 1.649 -8.726 1.00 1.00 H new ATOM 0 HG2 LYS A 39 93.428 3.821 -8.189 1.00 1.00 H new ATOM 0 HG3 LYS A 39 92.089 4.203 -9.252 1.00 1.00 H new ATOM 0 HD2 LYS A 39 91.365 5.443 -7.434 1.00 1.00 H new ATOM 0 HD3 LYS A 39 90.699 3.905 -6.920 1.00 1.00 H new ATOM 0 HE2 LYS A 39 92.822 3.424 -5.650 1.00 1.00 H new ATOM 0 HE3 LYS A 39 93.460 4.979 -6.143 1.00 1.00 H new ATOM 0 HZ1 LYS A 39 92.445 5.105 -3.948 1.00 1.00 H new ATOM 0 HZ2 LYS A 39 91.578 6.069 -5.046 1.00 1.00 H new ATOM 0 HZ3 LYS A 39 90.960 4.561 -4.568 1.00 1.00 H new ATOM 612 N SER A 40 91.262 -0.269 -8.854 1.00 1.00 N ATOM 613 CA SER A 40 91.035 -1.741 -8.955 1.00 1.00 C ATOM 614 C SER A 40 89.570 -2.073 -8.658 1.00 1.00 C ATOM 615 O SER A 40 88.874 -1.329 -7.996 1.00 1.00 O ATOM 616 CB SER A 40 91.931 -2.463 -7.947 1.00 1.00 C ATOM 617 OG SER A 40 91.846 -1.808 -6.689 1.00 1.00 O ATOM 0 H SER A 40 92.125 0.002 -8.382 1.00 1.00 H new ATOM 0 HA SER A 40 91.276 -2.068 -9.967 1.00 1.00 H new ATOM 0 HB2 SER A 40 91.623 -3.504 -7.849 1.00 1.00 H new ATOM 0 HB3 SER A 40 92.963 -2.468 -8.298 1.00 1.00 H new ATOM 0 HG SER A 40 92.418 -2.270 -6.041 1.00 1.00 H new ATOM 623 N LYS A 41 89.103 -3.192 -9.145 1.00 1.00 N ATOM 624 CA LYS A 41 87.688 -3.593 -8.900 1.00 1.00 C ATOM 625 C LYS A 41 87.641 -5.103 -8.614 1.00 1.00 C ATOM 626 O LYS A 41 88.036 -5.900 -9.441 1.00 1.00 O ATOM 627 CB LYS A 41 86.849 -3.286 -10.148 1.00 1.00 C ATOM 628 CG LYS A 41 87.651 -3.629 -11.405 1.00 1.00 C ATOM 629 CD LYS A 41 88.338 -2.367 -11.932 1.00 1.00 C ATOM 630 CE LYS A 41 89.164 -2.716 -13.172 1.00 1.00 C ATOM 631 NZ LYS A 41 89.823 -1.485 -13.692 1.00 1.00 N ATOM 0 H LYS A 41 89.645 -3.849 -9.706 1.00 1.00 H new ATOM 0 HA LYS A 41 87.288 -3.041 -8.049 1.00 1.00 H new ATOM 0 HB2 LYS A 41 85.924 -3.862 -10.127 1.00 1.00 H new ATOM 0 HB3 LYS A 41 86.569 -2.233 -10.160 1.00 1.00 H new ATOM 0 HG2 LYS A 41 88.395 -4.393 -11.178 1.00 1.00 H new ATOM 0 HG3 LYS A 41 86.992 -4.043 -12.168 1.00 1.00 H new ATOM 0 HD2 LYS A 41 87.593 -1.611 -12.179 1.00 1.00 H new ATOM 0 HD3 LYS A 41 88.981 -1.941 -11.162 1.00 1.00 H new ATOM 0 HE2 LYS A 41 89.915 -3.466 -12.923 1.00 1.00 H new ATOM 0 HE3 LYS A 41 88.523 -3.150 -13.939 1.00 1.00 H new ATOM 0 HZ1 LYS A 41 90.385 -1.721 -14.535 1.00 1.00 H new ATOM 0 HZ2 LYS A 41 89.098 -0.783 -13.945 1.00 1.00 H new ATOM 0 HZ3 LYS A 41 90.447 -1.090 -12.960 1.00 1.00 H new ATOM 645 N PRO A 42 87.169 -5.503 -7.455 1.00 1.00 N ATOM 646 CA PRO A 42 87.091 -6.946 -7.086 1.00 1.00 C ATOM 647 C PRO A 42 85.918 -7.657 -7.774 1.00 1.00 C ATOM 648 O PRO A 42 84.981 -7.028 -8.222 1.00 1.00 O ATOM 649 CB PRO A 42 86.892 -6.918 -5.569 1.00 1.00 C ATOM 650 CG PRO A 42 86.210 -5.618 -5.292 1.00 1.00 C ATOM 651 CD PRO A 42 86.663 -4.636 -6.379 1.00 1.00 C ATOM 0 HA PRO A 42 87.979 -7.497 -7.398 1.00 1.00 H new ATOM 0 HB2 PRO A 42 86.286 -7.760 -5.235 1.00 1.00 H new ATOM 0 HB3 PRO A 42 87.845 -6.983 -5.045 1.00 1.00 H new ATOM 0 HG2 PRO A 42 85.127 -5.739 -5.308 1.00 1.00 H new ATOM 0 HG3 PRO A 42 86.474 -5.247 -4.302 1.00 1.00 H new ATOM 0 HD2 PRO A 42 85.837 -4.013 -6.723 1.00 1.00 H new ATOM 0 HD3 PRO A 42 87.438 -3.963 -6.011 1.00 1.00 H new ATOM 659 N PRO A 43 85.972 -8.962 -7.853 1.00 1.00 N ATOM 660 CA PRO A 43 84.897 -9.775 -8.494 1.00 1.00 C ATOM 661 C PRO A 43 83.630 -9.836 -7.635 1.00 1.00 C ATOM 662 O PRO A 43 83.693 -9.931 -6.425 1.00 1.00 O ATOM 663 CB PRO A 43 85.526 -11.165 -8.626 1.00 1.00 C ATOM 664 CG PRO A 43 86.547 -11.233 -7.539 1.00 1.00 C ATOM 665 CD PRO A 43 87.062 -9.806 -7.337 1.00 1.00 C ATOM 0 HA PRO A 43 84.577 -9.351 -9.446 1.00 1.00 H new ATOM 0 HB2 PRO A 43 84.777 -11.949 -8.514 1.00 1.00 H new ATOM 0 HB3 PRO A 43 85.984 -11.299 -9.606 1.00 1.00 H new ATOM 0 HG2 PRO A 43 86.109 -11.621 -6.619 1.00 1.00 H new ATOM 0 HG3 PRO A 43 87.361 -11.904 -7.813 1.00 1.00 H new ATOM 0 HD2 PRO A 43 87.265 -9.599 -6.286 1.00 1.00 H new ATOM 0 HD3 PRO A 43 87.991 -9.636 -7.881 1.00 1.00 H new ATOM 673 N LYS A 44 82.480 -9.785 -8.251 1.00 1.00 N ATOM 674 CA LYS A 44 81.211 -9.842 -7.469 1.00 1.00 C ATOM 675 C LYS A 44 80.817 -11.308 -7.255 1.00 1.00 C ATOM 676 O LYS A 44 81.030 -11.865 -6.196 1.00 1.00 O ATOM 677 CB LYS A 44 80.099 -9.108 -8.235 1.00 1.00 C ATOM 678 CG LYS A 44 80.706 -7.959 -9.042 1.00 1.00 C ATOM 679 CD LYS A 44 79.598 -7.224 -9.799 1.00 1.00 C ATOM 680 CE LYS A 44 79.350 -7.917 -11.141 1.00 1.00 C ATOM 681 NZ LYS A 44 78.005 -7.535 -11.656 1.00 1.00 N ATOM 0 H LYS A 44 82.364 -9.706 -9.261 1.00 1.00 H new ATOM 0 HA LYS A 44 81.353 -9.360 -6.502 1.00 1.00 H new ATOM 0 HB2 LYS A 44 79.583 -9.801 -8.900 1.00 1.00 H new ATOM 0 HB3 LYS A 44 79.356 -8.723 -7.537 1.00 1.00 H new ATOM 0 HG2 LYS A 44 81.226 -7.269 -8.377 1.00 1.00 H new ATOM 0 HG3 LYS A 44 81.446 -8.345 -9.743 1.00 1.00 H new ATOM 0 HD2 LYS A 44 78.683 -7.216 -9.207 1.00 1.00 H new ATOM 0 HD3 LYS A 44 79.882 -6.184 -9.962 1.00 1.00 H new ATOM 0 HE2 LYS A 44 80.120 -7.632 -11.858 1.00 1.00 H new ATOM 0 HE3 LYS A 44 79.411 -8.999 -11.021 1.00 1.00 H new ATOM 0 HZ1 LYS A 44 78.029 -7.499 -12.695 1.00 1.00 H new ATOM 0 HZ2 LYS A 44 77.303 -8.239 -11.350 1.00 1.00 H new ATOM 0 HZ3 LYS A 44 77.743 -6.600 -11.283 1.00 1.00 H new ATOM 695 N LYS A 45 80.250 -11.932 -8.259 1.00 1.00 N ATOM 696 CA LYS A 45 79.831 -13.367 -8.150 1.00 1.00 C ATOM 697 C LYS A 45 79.508 -13.733 -6.696 1.00 1.00 C ATOM 698 O LYS A 45 79.794 -14.822 -6.241 1.00 1.00 O ATOM 699 CB LYS A 45 80.946 -14.278 -8.682 1.00 1.00 C ATOM 700 CG LYS A 45 82.180 -14.161 -7.785 1.00 1.00 C ATOM 701 CD LYS A 45 83.370 -14.843 -8.463 1.00 1.00 C ATOM 702 CE LYS A 45 82.976 -16.260 -8.885 1.00 1.00 C ATOM 703 NZ LYS A 45 82.216 -16.203 -10.165 1.00 1.00 N ATOM 0 H LYS A 45 80.057 -11.502 -9.163 1.00 1.00 H new ATOM 0 HA LYS A 45 78.931 -13.509 -8.748 1.00 1.00 H new ATOM 0 HB2 LYS A 45 80.602 -15.312 -8.710 1.00 1.00 H new ATOM 0 HB3 LYS A 45 81.200 -13.999 -9.705 1.00 1.00 H new ATOM 0 HG2 LYS A 45 82.408 -13.112 -7.596 1.00 1.00 H new ATOM 0 HG3 LYS A 45 81.985 -14.624 -6.818 1.00 1.00 H new ATOM 0 HD2 LYS A 45 83.685 -14.267 -9.334 1.00 1.00 H new ATOM 0 HD3 LYS A 45 84.219 -14.879 -7.781 1.00 1.00 H new ATOM 0 HE2 LYS A 45 83.867 -16.876 -9.006 1.00 1.00 H new ATOM 0 HE3 LYS A 45 82.369 -16.726 -8.109 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 81.232 -16.494 -9.998 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 82.232 -15.231 -10.535 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 82.653 -16.844 -10.857 1.00 1.00 H new ATOM 717 N GLY A 46 78.905 -12.833 -5.967 1.00 1.00 N ATOM 718 CA GLY A 46 78.559 -13.134 -4.548 1.00 1.00 C ATOM 719 C GLY A 46 77.304 -14.009 -4.504 1.00 1.00 C ATOM 720 O GLY A 46 76.762 -14.385 -5.525 1.00 1.00 O ATOM 0 H GLY A 46 78.637 -11.904 -6.292 1.00 1.00 H new ATOM 0 HA2 GLY A 46 79.389 -13.645 -4.061 1.00 1.00 H new ATOM 0 HA3 GLY A 46 78.389 -12.208 -3.999 1.00 1.00 H new ATOM 724 N VAL A 47 76.838 -14.339 -3.330 1.00 1.00 N ATOM 725 CA VAL A 47 75.619 -15.193 -3.224 1.00 1.00 C ATOM 726 C VAL A 47 74.373 -14.346 -3.502 1.00 1.00 C ATOM 727 O VAL A 47 73.303 -14.862 -3.760 1.00 1.00 O ATOM 728 CB VAL A 47 75.535 -15.785 -1.812 1.00 1.00 C ATOM 729 CG1 VAL A 47 74.753 -17.099 -1.854 1.00 1.00 C ATOM 730 CG2 VAL A 47 76.948 -16.050 -1.287 1.00 1.00 C ATOM 0 H VAL A 47 77.248 -14.055 -2.440 1.00 1.00 H new ATOM 0 HA VAL A 47 75.675 -16.000 -3.954 1.00 1.00 H new ATOM 0 HB VAL A 47 75.027 -15.081 -1.153 1.00 1.00 H new ATOM 0 HG11 VAL A 47 74.694 -17.519 -0.850 1.00 1.00 H new ATOM 0 HG12 VAL A 47 73.747 -16.912 -2.229 1.00 1.00 H new ATOM 0 HG13 VAL A 47 75.261 -17.804 -2.513 1.00 1.00 H new ATOM 0 HG21 VAL A 47 76.890 -16.471 -0.283 1.00 1.00 H new ATOM 0 HG22 VAL A 47 77.455 -16.754 -1.947 1.00 1.00 H new ATOM 0 HG23 VAL A 47 77.506 -15.114 -1.256 1.00 1.00 H new ATOM 740 N GLN A 48 74.505 -13.049 -3.449 1.00 1.00 N ATOM 741 CA GLN A 48 73.332 -12.165 -3.707 1.00 1.00 C ATOM 742 C GLN A 48 73.810 -10.713 -3.761 1.00 1.00 C ATOM 743 O GLN A 48 73.027 -9.790 -3.863 1.00 1.00 O ATOM 744 CB GLN A 48 72.312 -12.338 -2.576 1.00 1.00 C ATOM 745 CG GLN A 48 71.216 -11.279 -2.706 1.00 1.00 C ATOM 746 CD GLN A 48 69.949 -11.765 -1.999 1.00 1.00 C ATOM 747 OE1 GLN A 48 68.892 -11.827 -2.596 1.00 1.00 O ATOM 748 NE2 GLN A 48 70.011 -12.116 -0.744 1.00 1.00 N ATOM 0 H GLN A 48 75.376 -12.562 -3.238 1.00 1.00 H new ATOM 0 HA GLN A 48 72.863 -12.429 -4.655 1.00 1.00 H new ATOM 0 HB2 GLN A 48 71.874 -13.335 -2.617 1.00 1.00 H new ATOM 0 HB3 GLN A 48 72.807 -12.247 -1.609 1.00 1.00 H new ATOM 0 HG2 GLN A 48 71.551 -10.338 -2.269 1.00 1.00 H new ATOM 0 HG3 GLN A 48 71.006 -11.085 -3.758 1.00 1.00 H new ATOM 0 HE21 GLN A 48 70.898 -12.064 -0.243 1.00 1.00 H new ATOM 0 HE22 GLN A 48 69.172 -12.442 -0.264 1.00 1.00 H new ATOM 757 N GLY A 49 75.098 -10.510 -3.692 1.00 1.00 N ATOM 758 CA GLY A 49 75.647 -9.125 -3.734 1.00 1.00 C ATOM 759 C GLY A 49 74.937 -8.310 -4.818 1.00 1.00 C ATOM 760 O GLY A 49 74.320 -7.301 -4.541 1.00 1.00 O ATOM 0 H GLY A 49 75.797 -11.248 -3.608 1.00 1.00 H new ATOM 0 HA2 GLY A 49 75.518 -8.645 -2.764 1.00 1.00 H new ATOM 0 HA3 GLY A 49 76.718 -9.156 -3.934 1.00 1.00 H new ATOM 764 N CYS A 50 75.019 -8.734 -6.051 1.00 1.00 N ATOM 765 CA CYS A 50 74.349 -7.974 -7.142 1.00 1.00 C ATOM 766 C CYS A 50 73.894 -8.943 -8.235 1.00 1.00 C ATOM 767 O CYS A 50 74.521 -9.952 -8.489 1.00 1.00 O ATOM 768 CB CYS A 50 75.329 -6.962 -7.737 1.00 1.00 C ATOM 769 SG CYS A 50 75.712 -5.695 -6.502 1.00 1.00 S ATOM 0 H CYS A 50 75.520 -9.572 -6.348 1.00 1.00 H new ATOM 0 HA CYS A 50 73.484 -7.448 -6.738 1.00 1.00 H new ATOM 0 HB2 CYS A 50 76.243 -7.466 -8.052 1.00 1.00 H new ATOM 0 HB3 CYS A 50 74.897 -6.501 -8.625 1.00 1.00 H new ATOM 774 N GLY A 51 72.805 -8.637 -8.876 1.00 1.00 N ATOM 775 CA GLY A 51 72.289 -9.526 -9.954 1.00 1.00 C ATOM 776 C GLY A 51 73.361 -9.716 -11.029 1.00 1.00 C ATOM 777 O GLY A 51 73.725 -10.827 -11.363 1.00 1.00 O ATOM 0 H GLY A 51 72.244 -7.803 -8.700 1.00 1.00 H new ATOM 0 HA2 GLY A 51 72.005 -10.492 -9.536 1.00 1.00 H new ATOM 0 HA3 GLY A 51 71.391 -9.093 -10.396 1.00 1.00 H new ATOM 781 N ASP A 52 73.868 -8.643 -11.578 1.00 1.00 N ATOM 782 CA ASP A 52 74.912 -8.773 -12.636 1.00 1.00 C ATOM 783 C ASP A 52 75.453 -7.389 -13.012 1.00 1.00 C ATOM 784 O ASP A 52 76.527 -7.266 -13.567 1.00 1.00 O ATOM 785 CB ASP A 52 74.300 -9.429 -13.877 1.00 1.00 C ATOM 786 CG ASP A 52 75.417 -9.902 -14.809 1.00 1.00 C ATOM 787 OD1 ASP A 52 76.288 -10.618 -14.343 1.00 1.00 O ATOM 788 OD2 ASP A 52 75.382 -9.542 -15.974 1.00 1.00 O ATOM 0 H ASP A 52 73.605 -7.686 -11.340 1.00 1.00 H new ATOM 0 HA ASP A 52 75.729 -9.387 -12.257 1.00 1.00 H new ATOM 0 HB2 ASP A 52 73.675 -10.273 -13.584 1.00 1.00 H new ATOM 0 HB3 ASP A 52 73.655 -8.719 -14.396 1.00 1.00 H new ATOM 793 N ASP A 53 74.721 -6.347 -12.724 1.00 1.00 N ATOM 794 CA ASP A 53 75.205 -4.980 -13.077 1.00 1.00 C ATOM 795 C ASP A 53 74.308 -3.928 -12.420 1.00 1.00 C ATOM 796 O ASP A 53 74.782 -2.953 -11.873 1.00 1.00 O ATOM 797 CB ASP A 53 75.164 -4.803 -14.597 1.00 1.00 C ATOM 798 CG ASP A 53 75.628 -3.391 -14.960 1.00 1.00 C ATOM 799 OD1 ASP A 53 76.787 -3.091 -14.724 1.00 1.00 O ATOM 800 OD2 ASP A 53 74.817 -2.634 -15.468 1.00 1.00 O ATOM 0 H ASP A 53 73.813 -6.382 -12.262 1.00 1.00 H new ATOM 0 HA ASP A 53 76.227 -4.857 -12.720 1.00 1.00 H new ATOM 0 HB2 ASP A 53 75.805 -5.542 -15.077 1.00 1.00 H new ATOM 0 HB3 ASP A 53 74.152 -4.971 -14.966 1.00 1.00 H new ATOM 805 N ILE A 54 73.017 -4.117 -12.473 1.00 1.00 N ATOM 806 CA ILE A 54 72.087 -3.128 -11.853 1.00 1.00 C ATOM 807 C ILE A 54 71.666 -3.629 -10.462 1.00 1.00 C ATOM 808 O ILE A 54 70.933 -4.590 -10.347 1.00 1.00 O ATOM 809 CB ILE A 54 70.843 -2.980 -12.738 1.00 1.00 C ATOM 810 CG1 ILE A 54 70.488 -4.338 -13.347 1.00 1.00 C ATOM 811 CG2 ILE A 54 71.129 -1.980 -13.859 1.00 1.00 C ATOM 812 CD1 ILE A 54 69.139 -4.240 -14.062 1.00 1.00 C ATOM 0 H ILE A 54 72.565 -4.915 -12.920 1.00 1.00 H new ATOM 0 HA ILE A 54 72.586 -2.164 -11.758 1.00 1.00 H new ATOM 0 HB ILE A 54 70.009 -2.621 -12.135 1.00 1.00 H new ATOM 0 HG12 ILE A 54 71.262 -4.647 -14.049 1.00 1.00 H new ATOM 0 HG13 ILE A 54 70.444 -5.098 -12.567 1.00 1.00 H new ATOM 0 HG21 ILE A 54 70.245 -1.875 -14.488 1.00 1.00 H new ATOM 0 HG22 ILE A 54 71.384 -1.012 -13.427 1.00 1.00 H new ATOM 0 HG23 ILE A 54 71.963 -2.339 -14.463 1.00 1.00 H new ATOM 0 HD11 ILE A 54 68.886 -5.207 -14.496 1.00 1.00 H new ATOM 0 HD12 ILE A 54 68.369 -3.950 -13.347 1.00 1.00 H new ATOM 0 HD13 ILE A 54 69.200 -3.492 -14.853 1.00 1.00 H new ATOM 824 N PRO A 55 72.124 -2.991 -9.410 1.00 1.00 N ATOM 825 CA PRO A 55 71.779 -3.397 -8.020 1.00 1.00 C ATOM 826 C PRO A 55 70.409 -2.867 -7.585 1.00 1.00 C ATOM 827 O PRO A 55 69.388 -3.477 -7.837 1.00 1.00 O ATOM 828 CB PRO A 55 72.893 -2.765 -7.185 1.00 1.00 C ATOM 829 CG PRO A 55 73.288 -1.538 -7.942 1.00 1.00 C ATOM 830 CD PRO A 55 73.018 -1.821 -9.425 1.00 1.00 C ATOM 0 HA PRO A 55 71.710 -4.479 -7.911 1.00 1.00 H new ATOM 0 HB2 PRO A 55 72.544 -2.516 -6.183 1.00 1.00 H new ATOM 0 HB3 PRO A 55 73.736 -3.447 -7.069 1.00 1.00 H new ATOM 0 HG2 PRO A 55 72.715 -0.675 -7.603 1.00 1.00 H new ATOM 0 HG3 PRO A 55 74.340 -1.306 -7.779 1.00 1.00 H new ATOM 0 HD2 PRO A 55 72.549 -0.967 -9.915 1.00 1.00 H new ATOM 0 HD3 PRO A 55 73.941 -2.031 -9.965 1.00 1.00 H new ATOM 838 N GLY A 56 70.379 -1.737 -6.934 1.00 1.00 N ATOM 839 CA GLY A 56 69.077 -1.170 -6.485 1.00 1.00 C ATOM 840 C GLY A 56 68.385 -0.481 -7.662 1.00 1.00 C ATOM 841 O GLY A 56 67.610 0.438 -7.486 1.00 1.00 O ATOM 0 H GLY A 56 71.200 -1.182 -6.694 1.00 1.00 H new ATOM 0 HA2 GLY A 56 68.441 -1.962 -6.089 1.00 1.00 H new ATOM 0 HA3 GLY A 56 69.239 -0.457 -5.677 1.00 1.00 H new ATOM 845 N MET A 57 68.659 -0.915 -8.862 1.00 1.00 N ATOM 846 CA MET A 57 68.016 -0.282 -10.047 1.00 1.00 C ATOM 847 C MET A 57 68.131 1.240 -9.935 1.00 1.00 C ATOM 848 O MET A 57 67.381 1.976 -10.544 1.00 1.00 O ATOM 849 CB MET A 57 66.538 -0.678 -10.097 1.00 1.00 C ATOM 850 CG MET A 57 66.420 -2.183 -10.344 1.00 1.00 C ATOM 851 SD MET A 57 64.788 -2.756 -9.810 1.00 1.00 S ATOM 852 CE MET A 57 63.893 -2.337 -11.326 1.00 1.00 C ATOM 0 H MET A 57 69.300 -1.680 -9.072 1.00 1.00 H new ATOM 0 HA MET A 57 68.514 -0.620 -10.956 1.00 1.00 H new ATOM 0 HB2 MET A 57 66.048 -0.413 -9.160 1.00 1.00 H new ATOM 0 HB3 MET A 57 66.030 -0.128 -10.889 1.00 1.00 H new ATOM 0 HG2 MET A 57 66.566 -2.401 -11.402 1.00 1.00 H new ATOM 0 HG3 MET A 57 67.200 -2.714 -9.799 1.00 1.00 H new ATOM 0 HE1 MET A 57 62.844 -2.611 -11.216 1.00 1.00 H new ATOM 0 HE2 MET A 57 63.971 -1.266 -11.510 1.00 1.00 H new ATOM 0 HE3 MET A 57 64.324 -2.882 -12.166 1.00 1.00 H new ATOM 862 N GLU A 58 69.065 1.716 -9.158 1.00 1.00 N ATOM 863 CA GLU A 58 69.225 3.189 -9.005 1.00 1.00 C ATOM 864 C GLU A 58 67.880 3.807 -8.620 1.00 1.00 C ATOM 865 O GLU A 58 67.378 4.689 -9.288 1.00 1.00 O ATOM 866 CB GLU A 58 69.704 3.791 -10.328 1.00 1.00 C ATOM 867 CG GLU A 58 70.194 5.221 -10.091 1.00 1.00 C ATOM 868 CD GLU A 58 71.531 5.186 -9.348 1.00 1.00 C ATOM 869 OE1 GLU A 58 72.039 4.098 -9.133 1.00 1.00 O ATOM 870 OE2 GLU A 58 72.024 6.248 -9.006 1.00 1.00 O ATOM 0 H GLU A 58 69.723 1.149 -8.623 1.00 1.00 H new ATOM 0 HA GLU A 58 69.959 3.397 -8.226 1.00 1.00 H new ATOM 0 HB2 GLU A 58 70.508 3.185 -10.746 1.00 1.00 H new ATOM 0 HB3 GLU A 58 68.892 3.789 -11.055 1.00 1.00 H new ATOM 0 HG2 GLU A 58 70.308 5.740 -11.043 1.00 1.00 H new ATOM 0 HG3 GLU A 58 69.458 5.777 -9.511 1.00 1.00 H new ATOM 877 N GLY A 59 67.293 3.349 -7.545 1.00 1.00 N ATOM 878 CA GLY A 59 65.978 3.906 -7.111 1.00 1.00 C ATOM 879 C GLY A 59 66.000 4.134 -5.600 1.00 1.00 C ATOM 880 O GLY A 59 65.388 5.052 -5.092 1.00 1.00 O ATOM 0 H GLY A 59 67.668 2.612 -6.948 1.00 1.00 H new ATOM 0 HA2 GLY A 59 65.779 4.844 -7.629 1.00 1.00 H new ATOM 0 HA3 GLY A 59 65.174 3.219 -7.375 1.00 1.00 H new ATOM 884 N CYS A 60 66.703 3.306 -4.877 1.00 1.00 N ATOM 885 CA CYS A 60 66.766 3.478 -3.399 1.00 1.00 C ATOM 886 C CYS A 60 65.354 3.388 -2.817 1.00 1.00 C ATOM 887 O CYS A 60 64.512 4.229 -3.061 1.00 1.00 O ATOM 888 CB CYS A 60 67.379 4.844 -3.074 1.00 1.00 C ATOM 889 SG CYS A 60 68.651 4.649 -1.801 1.00 1.00 S ATOM 0 H CYS A 60 67.236 2.518 -5.246 1.00 1.00 H new ATOM 0 HA CYS A 60 67.384 2.694 -2.962 1.00 1.00 H new ATOM 0 HB2 CYS A 60 67.813 5.282 -3.973 1.00 1.00 H new ATOM 0 HB3 CYS A 60 66.605 5.529 -2.727 1.00 1.00 H new ATOM 894 N GLY A 61 65.093 2.361 -2.060 1.00 1.00 N ATOM 895 CA GLY A 61 63.742 2.183 -1.462 1.00 1.00 C ATOM 896 C GLY A 61 63.424 0.690 -1.435 1.00 1.00 C ATOM 897 O GLY A 61 62.461 0.256 -0.833 1.00 1.00 O ATOM 0 H GLY A 61 65.765 1.630 -1.828 1.00 1.00 H new ATOM 0 HA2 GLY A 61 63.716 2.595 -0.453 1.00 1.00 H new ATOM 0 HA3 GLY A 61 62.994 2.720 -2.046 1.00 1.00 H new ATOM 901 N THR A 62 64.239 -0.097 -2.087 1.00 1.00 N ATOM 902 CA THR A 62 64.013 -1.573 -2.114 1.00 1.00 C ATOM 903 C THR A 62 65.249 -2.281 -1.551 1.00 1.00 C ATOM 904 O THR A 62 65.229 -2.806 -0.456 1.00 1.00 O ATOM 905 CB THR A 62 63.772 -2.026 -3.558 1.00 1.00 C ATOM 906 OG1 THR A 62 65.020 -2.179 -4.219 1.00 1.00 O ATOM 907 CG2 THR A 62 62.930 -0.979 -4.290 1.00 1.00 C ATOM 0 H THR A 62 65.057 0.222 -2.606 1.00 1.00 H new ATOM 0 HA THR A 62 63.142 -1.824 -1.509 1.00 1.00 H new ATOM 0 HB THR A 62 63.242 -2.978 -3.556 1.00 1.00 H new ATOM 0 HG1 THR A 62 64.868 -2.470 -5.142 1.00 1.00 H new ATOM 0 HG21 THR A 62 62.759 -1.302 -5.317 1.00 1.00 H new ATOM 0 HG22 THR A 62 61.972 -0.862 -3.782 1.00 1.00 H new ATOM 0 HG23 THR A 62 63.458 -0.025 -4.293 1.00 1.00 H new ATOM 915 N ASP A 63 66.326 -2.293 -2.288 1.00 1.00 N ATOM 916 CA ASP A 63 67.561 -2.960 -1.790 1.00 1.00 C ATOM 917 C ASP A 63 68.146 -2.137 -0.642 1.00 1.00 C ATOM 918 O ASP A 63 68.589 -2.669 0.356 1.00 1.00 O ATOM 919 CB ASP A 63 68.585 -3.053 -2.923 1.00 1.00 C ATOM 920 CG ASP A 63 68.929 -1.647 -3.417 1.00 1.00 C ATOM 921 OD1 ASP A 63 68.009 -0.876 -3.637 1.00 1.00 O ATOM 922 OD2 ASP A 63 70.106 -1.364 -3.567 1.00 1.00 O ATOM 0 H ASP A 63 66.404 -1.870 -3.213 1.00 1.00 H new ATOM 0 HA ASP A 63 67.320 -3.963 -1.439 1.00 1.00 H new ATOM 0 HB2 ASP A 63 69.486 -3.557 -2.573 1.00 1.00 H new ATOM 0 HB3 ASP A 63 68.184 -3.650 -3.742 1.00 1.00 H new ATOM 927 N ILE A 64 68.145 -0.838 -0.777 1.00 1.00 N ATOM 928 CA ILE A 64 68.696 0.028 0.304 1.00 1.00 C ATOM 929 C ILE A 64 67.562 0.421 1.250 1.00 1.00 C ATOM 930 O ILE A 64 67.792 0.880 2.351 1.00 1.00 O ATOM 931 CB ILE A 64 69.330 1.283 -0.327 1.00 1.00 C ATOM 932 CG1 ILE A 64 70.823 1.038 -0.555 1.00 1.00 C ATOM 933 CG2 ILE A 64 69.148 2.476 0.613 1.00 1.00 C ATOM 934 CD1 ILE A 64 71.595 1.358 0.727 1.00 1.00 C ATOM 0 H ILE A 64 67.786 -0.339 -1.591 1.00 1.00 H new ATOM 0 HA ILE A 64 69.461 -0.508 0.867 1.00 1.00 H new ATOM 0 HB ILE A 64 68.845 1.495 -1.280 1.00 1.00 H new ATOM 0 HG12 ILE A 64 70.992 0.001 -0.844 1.00 1.00 H new ATOM 0 HG13 ILE A 64 71.183 1.660 -1.374 1.00 1.00 H new ATOM 0 HG21 ILE A 64 69.597 3.363 0.166 1.00 1.00 H new ATOM 0 HG22 ILE A 64 68.085 2.651 0.777 1.00 1.00 H new ATOM 0 HG23 ILE A 64 69.633 2.265 1.566 1.00 1.00 H new ATOM 0 HD11 ILE A 64 72.659 1.183 0.564 1.00 1.00 H new ATOM 0 HD12 ILE A 64 71.436 2.402 0.997 1.00 1.00 H new ATOM 0 HD13 ILE A 64 71.241 0.717 1.534 1.00 1.00 H new ATOM 946 N THR A 65 66.339 0.241 0.824 1.00 1.00 N ATOM 947 CA THR A 65 65.172 0.607 1.685 1.00 1.00 C ATOM 948 C THR A 65 65.572 1.766 2.595 1.00 1.00 C ATOM 949 O THR A 65 65.282 1.775 3.774 1.00 1.00 O ATOM 950 CB THR A 65 64.753 -0.599 2.534 1.00 1.00 C ATOM 951 OG1 THR A 65 63.749 -0.200 3.456 1.00 1.00 O ATOM 952 CG2 THR A 65 65.966 -1.135 3.297 1.00 1.00 C ATOM 0 H THR A 65 66.096 -0.146 -0.088 1.00 1.00 H new ATOM 0 HA THR A 65 64.332 0.904 1.058 1.00 1.00 H new ATOM 0 HB THR A 65 64.361 -1.382 1.885 1.00 1.00 H new ATOM 0 HG1 THR A 65 64.076 0.554 3.989 1.00 1.00 H new ATOM 0 HG21 THR A 65 65.667 -1.992 3.900 1.00 1.00 H new ATOM 0 HG22 THR A 65 66.736 -1.441 2.588 1.00 1.00 H new ATOM 0 HG23 THR A 65 66.361 -0.354 3.947 1.00 1.00 H new ATOM 960 N VAL A 66 66.260 2.732 2.046 1.00 1.00 N ATOM 961 CA VAL A 66 66.721 3.895 2.858 1.00 1.00 C ATOM 962 C VAL A 66 67.787 3.417 3.849 1.00 1.00 C ATOM 963 O VAL A 66 68.777 4.081 4.081 1.00 1.00 O ATOM 964 CB VAL A 66 65.540 4.507 3.618 1.00 1.00 C ATOM 965 CG1 VAL A 66 65.916 5.907 4.106 1.00 1.00 C ATOM 966 CG2 VAL A 66 64.330 4.601 2.687 1.00 1.00 C ATOM 0 H VAL A 66 66.524 2.765 1.061 1.00 1.00 H new ATOM 0 HA VAL A 66 67.143 4.655 2.201 1.00 1.00 H new ATOM 0 HB VAL A 66 65.294 3.878 4.474 1.00 1.00 H new ATOM 0 HG11 VAL A 66 65.075 6.342 4.647 1.00 1.00 H new ATOM 0 HG12 VAL A 66 66.779 5.842 4.769 1.00 1.00 H new ATOM 0 HG13 VAL A 66 66.162 6.536 3.251 1.00 1.00 H new ATOM 0 HG21 VAL A 66 63.489 5.036 3.226 1.00 1.00 H new ATOM 0 HG22 VAL A 66 64.577 5.230 1.832 1.00 1.00 H new ATOM 0 HG23 VAL A 66 64.061 3.604 2.339 1.00 1.00 H new ATOM 976 N ILE A 67 67.591 2.259 4.421 1.00 1.00 N ATOM 977 CA ILE A 67 68.583 1.706 5.389 1.00 1.00 C ATOM 978 C ILE A 67 68.788 0.217 5.101 1.00 1.00 C ATOM 979 O ILE A 67 68.059 -0.620 5.594 1.00 1.00 O ATOM 980 CB ILE A 67 68.063 1.875 6.822 1.00 1.00 C ATOM 981 CG1 ILE A 67 68.042 3.362 7.183 1.00 1.00 C ATOM 982 CG2 ILE A 67 68.983 1.130 7.791 1.00 1.00 C ATOM 983 CD1 ILE A 67 66.607 3.790 7.499 1.00 1.00 C ATOM 0 H ILE A 67 66.777 1.666 4.257 1.00 1.00 H new ATOM 0 HA ILE A 67 69.527 2.240 5.283 1.00 1.00 H new ATOM 0 HB ILE A 67 67.055 1.467 6.893 1.00 1.00 H new ATOM 0 HG12 ILE A 67 68.686 3.548 8.043 1.00 1.00 H new ATOM 0 HG13 ILE A 67 68.436 3.953 6.356 1.00 1.00 H new ATOM 0 HG21 ILE A 67 68.613 1.250 8.809 1.00 1.00 H new ATOM 0 HG22 ILE A 67 69.001 0.071 7.534 1.00 1.00 H new ATOM 0 HG23 ILE A 67 69.992 1.537 7.721 1.00 1.00 H new ATOM 0 HD11 ILE A 67 66.591 4.849 7.756 1.00 1.00 H new ATOM 0 HD12 ILE A 67 65.976 3.619 6.627 1.00 1.00 H new ATOM 0 HD13 ILE A 67 66.230 3.207 8.339 1.00 1.00 H new ATOM 995 N CYS A 68 69.768 -0.127 4.316 1.00 1.00 N ATOM 996 CA CYS A 68 69.998 -1.568 4.019 1.00 1.00 C ATOM 997 C CYS A 68 70.421 -2.284 5.307 1.00 1.00 C ATOM 998 O CYS A 68 71.318 -1.843 5.997 1.00 1.00 O ATOM 999 CB CYS A 68 71.106 -1.700 2.972 1.00 1.00 C ATOM 1000 SG CYS A 68 71.617 -3.432 2.847 1.00 1.00 S ATOM 0 H CYS A 68 70.416 0.521 3.869 1.00 1.00 H new ATOM 0 HA CYS A 68 69.082 -2.017 3.634 1.00 1.00 H new ATOM 0 HB2 CYS A 68 70.751 -1.344 2.005 1.00 1.00 H new ATOM 0 HB3 CYS A 68 71.957 -1.078 3.248 1.00 1.00 H new ATOM 1005 N PRO A 69 69.779 -3.380 5.646 1.00 1.00 N ATOM 1006 CA PRO A 69 70.107 -4.147 6.883 1.00 1.00 C ATOM 1007 C PRO A 69 71.618 -4.266 7.117 1.00 1.00 C ATOM 1008 O PRO A 69 72.062 -4.645 8.182 1.00 1.00 O ATOM 1009 CB PRO A 69 69.489 -5.521 6.622 1.00 1.00 C ATOM 1010 CG PRO A 69 68.330 -5.255 5.717 1.00 1.00 C ATOM 1011 CD PRO A 69 68.679 -4.008 4.895 1.00 1.00 C ATOM 0 HA PRO A 69 69.725 -3.658 7.779 1.00 1.00 H new ATOM 0 HB2 PRO A 69 70.207 -6.195 6.156 1.00 1.00 H new ATOM 0 HB3 PRO A 69 69.166 -5.992 7.550 1.00 1.00 H new ATOM 0 HG2 PRO A 69 68.147 -6.108 5.064 1.00 1.00 H new ATOM 0 HG3 PRO A 69 67.419 -5.094 6.294 1.00 1.00 H new ATOM 0 HD2 PRO A 69 68.986 -4.271 3.883 1.00 1.00 H new ATOM 0 HD3 PRO A 69 67.824 -3.338 4.805 1.00 1.00 H new ATOM 1019 N TRP A 70 72.408 -3.946 6.130 1.00 1.00 N ATOM 1020 CA TRP A 70 73.886 -4.041 6.292 1.00 1.00 C ATOM 1021 C TRP A 70 74.395 -2.819 7.068 1.00 1.00 C ATOM 1022 O TRP A 70 75.442 -2.855 7.684 1.00 1.00 O ATOM 1023 CB TRP A 70 74.544 -4.077 4.905 1.00 1.00 C ATOM 1024 CG TRP A 70 74.639 -5.492 4.432 1.00 1.00 C ATOM 1025 CD1 TRP A 70 75.793 -6.154 4.188 1.00 1.00 C ATOM 1026 CD2 TRP A 70 73.560 -6.429 4.143 1.00 1.00 C ATOM 1027 NE1 TRP A 70 75.493 -7.437 3.768 1.00 1.00 N ATOM 1028 CE2 TRP A 70 74.131 -7.656 3.723 1.00 1.00 C ATOM 1029 CE3 TRP A 70 72.159 -6.337 4.203 1.00 1.00 C ATOM 1030 CZ2 TRP A 70 73.336 -8.751 3.375 1.00 1.00 C ATOM 1031 CZ3 TRP A 70 71.358 -7.434 3.855 1.00 1.00 C ATOM 1032 CH2 TRP A 70 71.944 -8.638 3.442 1.00 1.00 C ATOM 0 H TRP A 70 72.093 -3.622 5.216 1.00 1.00 H new ATOM 0 HA TRP A 70 74.137 -4.948 6.841 1.00 1.00 H new ATOM 0 HB2 TRP A 70 73.961 -3.485 4.199 1.00 1.00 H new ATOM 0 HB3 TRP A 70 75.537 -3.631 4.951 1.00 1.00 H new ATOM 0 HD1 TRP A 70 76.787 -5.747 4.303 1.00 1.00 H new ATOM 0 HE1 TRP A 70 76.193 -8.136 3.521 1.00 1.00 H new ATOM 0 HE3 TRP A 70 71.696 -5.414 4.520 1.00 1.00 H new ATOM 0 HZ2 TRP A 70 73.793 -9.677 3.057 1.00 1.00 H new ATOM 0 HZ3 TRP A 70 70.282 -7.350 3.906 1.00 1.00 H new ATOM 0 HH2 TRP A 70 71.320 -9.479 3.175 1.00 1.00 H new ATOM 1043 N GLU A 71 73.665 -1.736 7.038 1.00 1.00 N ATOM 1044 CA GLU A 71 74.107 -0.509 7.766 1.00 1.00 C ATOM 1045 C GLU A 71 74.343 -0.836 9.243 1.00 1.00 C ATOM 1046 O GLU A 71 74.805 -0.009 10.004 1.00 1.00 O ATOM 1047 CB GLU A 71 73.024 0.567 7.651 1.00 1.00 C ATOM 1048 CG GLU A 71 72.946 1.062 6.205 1.00 1.00 C ATOM 1049 CD GLU A 71 74.075 2.061 5.946 1.00 1.00 C ATOM 1050 OE1 GLU A 71 74.976 2.133 6.766 1.00 1.00 O ATOM 1051 OE2 GLU A 71 74.020 2.737 4.932 1.00 1.00 O ATOM 0 H GLU A 71 72.779 -1.647 6.540 1.00 1.00 H new ATOM 0 HA GLU A 71 75.036 -0.146 7.326 1.00 1.00 H new ATOM 0 HB2 GLU A 71 72.060 0.162 7.960 1.00 1.00 H new ATOM 0 HB3 GLU A 71 73.250 1.398 8.319 1.00 1.00 H new ATOM 0 HG2 GLU A 71 73.026 0.221 5.517 1.00 1.00 H new ATOM 0 HG3 GLU A 71 71.980 1.533 6.022 1.00 1.00 H new ATOM 1058 N ALA A 72 74.024 -2.031 9.656 1.00 1.00 N ATOM 1059 CA ALA A 72 74.224 -2.405 11.087 1.00 1.00 C ATOM 1060 C ALA A 72 75.709 -2.311 11.456 1.00 1.00 C ATOM 1061 O ALA A 72 76.090 -2.553 12.585 1.00 1.00 O ATOM 1062 CB ALA A 72 73.734 -3.838 11.308 1.00 1.00 C ATOM 0 H ALA A 72 73.633 -2.766 9.066 1.00 1.00 H new ATOM 0 HA ALA A 72 73.659 -1.719 11.717 1.00 1.00 H new ATOM 0 HB1 ALA A 72 73.878 -4.115 12.352 1.00 1.00 H new ATOM 0 HB2 ALA A 72 72.675 -3.903 11.059 1.00 1.00 H new ATOM 0 HB3 ALA A 72 74.299 -4.518 10.671 1.00 1.00 H new ATOM 1068 N CYS A 73 76.552 -1.962 10.522 1.00 1.00 N ATOM 1069 CA CYS A 73 78.007 -1.857 10.836 1.00 1.00 C ATOM 1070 C CYS A 73 78.284 -0.530 11.545 1.00 1.00 C ATOM 1071 O CYS A 73 79.271 -0.380 12.237 1.00 1.00 O ATOM 1072 CB CYS A 73 78.818 -1.917 9.539 1.00 1.00 C ATOM 1073 SG CYS A 73 78.346 -3.388 8.595 1.00 1.00 S ATOM 0 H CYS A 73 76.298 -1.746 9.558 1.00 1.00 H new ATOM 0 HA CYS A 73 78.295 -2.684 11.485 1.00 1.00 H new ATOM 0 HB2 CYS A 73 78.641 -1.020 8.946 1.00 1.00 H new ATOM 0 HB3 CYS A 73 79.884 -1.944 9.766 1.00 1.00 H new ATOM 1078 N ASN A 74 77.421 0.436 11.372 1.00 1.00 N ATOM 1079 CA ASN A 74 77.626 1.762 12.029 1.00 1.00 C ATOM 1080 C ASN A 74 78.917 2.407 11.514 1.00 1.00 C ATOM 1081 O ASN A 74 79.188 3.563 11.771 1.00 1.00 O ATOM 1082 CB ASN A 74 77.720 1.577 13.546 1.00 1.00 C ATOM 1083 CG ASN A 74 77.617 2.940 14.232 1.00 1.00 C ATOM 1084 OD1 ASN A 74 76.532 3.423 14.490 1.00 1.00 O ATOM 1085 ND2 ASN A 74 78.708 3.586 14.541 1.00 1.00 N ATOM 0 H ASN A 74 76.579 0.364 10.801 1.00 1.00 H new ATOM 0 HA ASN A 74 76.781 2.409 11.792 1.00 1.00 H new ATOM 0 HB2 ASN A 74 76.921 0.922 13.894 1.00 1.00 H new ATOM 0 HB3 ASN A 74 78.663 1.097 13.807 1.00 1.00 H new ATOM 0 HD21 ASN A 74 78.650 4.496 14.999 1.00 1.00 H new ATOM 0 HD22 ASN A 74 79.619 3.181 14.325 1.00 1.00 H new ATOM 1092 N HIS A 75 79.716 1.672 10.789 1.00 1.00 N ATOM 1093 CA HIS A 75 80.987 2.246 10.260 1.00 1.00 C ATOM 1094 C HIS A 75 80.678 3.478 9.405 1.00 1.00 C ATOM 1095 O HIS A 75 79.910 3.415 8.466 1.00 1.00 O ATOM 1096 CB HIS A 75 81.692 1.190 9.405 1.00 1.00 C ATOM 1097 CG HIS A 75 82.858 1.816 8.691 1.00 1.00 C ATOM 1098 ND1 HIS A 75 83.368 1.297 7.510 1.00 1.00 N ATOM 1099 CD2 HIS A 75 83.626 2.919 8.979 1.00 1.00 C ATOM 1100 CE1 HIS A 75 84.395 2.078 7.132 1.00 1.00 C ATOM 1101 NE2 HIS A 75 84.593 3.079 7.992 1.00 1.00 N ATOM 0 H HIS A 75 79.544 0.698 10.540 1.00 1.00 H new ATOM 0 HA HIS A 75 81.632 2.539 11.088 1.00 1.00 H new ATOM 0 HB2 HIS A 75 82.036 0.369 10.034 1.00 1.00 H new ATOM 0 HB3 HIS A 75 80.994 0.767 8.682 1.00 1.00 H new ATOM 0 HD2 HIS A 75 83.498 3.561 9.838 1.00 1.00 H new ATOM 0 HE1 HIS A 75 84.986 1.915 6.243 1.00 1.00 H new ATOM 0 HE2 HIS A 75 85.304 3.808 7.937 1.00 1.00 H new ATOM 1110 N CYS A 76 81.269 4.600 9.720 1.00 1.00 N ATOM 1111 CA CYS A 76 81.004 5.832 8.923 1.00 1.00 C ATOM 1112 C CYS A 76 82.231 6.747 8.963 1.00 1.00 C ATOM 1113 O CYS A 76 82.664 7.265 7.953 1.00 1.00 O ATOM 1114 CB CYS A 76 79.800 6.571 9.514 1.00 1.00 C ATOM 1115 SG CYS A 76 78.273 5.750 8.994 1.00 1.00 S ATOM 0 H CYS A 76 81.923 4.716 10.494 1.00 1.00 H new ATOM 0 HA CYS A 76 80.794 5.555 7.890 1.00 1.00 H new ATOM 0 HB2 CYS A 76 79.866 6.584 10.602 1.00 1.00 H new ATOM 0 HB3 CYS A 76 79.798 7.609 9.182 1.00 1.00 H new ATOM 1120 N GLU A 77 82.788 6.963 10.124 1.00 1.00 N ATOM 1121 CA GLU A 77 83.977 7.859 10.228 1.00 1.00 C ATOM 1122 C GLU A 77 85.164 7.254 9.473 1.00 1.00 C ATOM 1123 O GLU A 77 85.171 7.184 8.260 1.00 1.00 O ATOM 1124 CB GLU A 77 84.352 8.043 11.700 1.00 1.00 C ATOM 1125 CG GLU A 77 83.370 9.013 12.360 1.00 1.00 C ATOM 1126 CD GLU A 77 83.662 10.438 11.886 1.00 1.00 C ATOM 1127 OE1 GLU A 77 84.590 10.604 11.111 1.00 1.00 O ATOM 1128 OE2 GLU A 77 82.954 11.338 12.306 1.00 1.00 O ATOM 0 H GLU A 77 82.472 6.558 11.005 1.00 1.00 H new ATOM 0 HA GLU A 77 83.730 8.825 9.787 1.00 1.00 H new ATOM 0 HB2 GLU A 77 84.331 7.082 12.214 1.00 1.00 H new ATOM 0 HB3 GLU A 77 85.369 8.427 11.782 1.00 1.00 H new ATOM 0 HG2 GLU A 77 82.346 8.738 12.108 1.00 1.00 H new ATOM 0 HG3 GLU A 77 83.458 8.954 13.445 1.00 1.00 H new ATOM 1135 N LEU A 78 86.176 6.830 10.183 1.00 1.00 N ATOM 1136 CA LEU A 78 87.372 6.244 9.511 1.00 1.00 C ATOM 1137 C LEU A 78 87.166 4.743 9.302 1.00 1.00 C ATOM 1138 O LEU A 78 86.087 4.221 9.495 1.00 1.00 O ATOM 1139 CB LEU A 78 88.610 6.477 10.387 1.00 1.00 C ATOM 1140 CG LEU A 78 89.192 7.861 10.094 1.00 1.00 C ATOM 1141 CD1 LEU A 78 89.935 8.375 11.328 1.00 1.00 C ATOM 1142 CD2 LEU A 78 90.166 7.764 8.917 1.00 1.00 C ATOM 0 H LEU A 78 86.226 6.864 11.201 1.00 1.00 H new ATOM 0 HA LEU A 78 87.514 6.722 8.542 1.00 1.00 H new ATOM 0 HB2 LEU A 78 88.342 6.399 11.441 1.00 1.00 H new ATOM 0 HB3 LEU A 78 89.357 5.708 10.191 1.00 1.00 H new ATOM 0 HG LEU A 78 88.385 8.549 9.844 1.00 1.00 H new ATOM 0 HD11 LEU A 78 90.349 9.361 11.119 1.00 1.00 H new ATOM 0 HD12 LEU A 78 89.243 8.443 12.167 1.00 1.00 H new ATOM 0 HD13 LEU A 78 90.743 7.688 11.579 1.00 1.00 H new ATOM 0 HD21 LEU A 78 90.582 8.749 8.707 1.00 1.00 H new ATOM 0 HD22 LEU A 78 90.973 7.076 9.168 1.00 1.00 H new ATOM 0 HD23 LEU A 78 89.638 7.398 8.037 1.00 1.00 H new ATOM 1154 N HIS A 79 88.199 4.047 8.905 1.00 1.00 N ATOM 1155 CA HIS A 79 88.074 2.579 8.676 1.00 1.00 C ATOM 1156 C HIS A 79 88.629 1.820 9.882 1.00 1.00 C ATOM 1157 O HIS A 79 89.746 1.343 9.864 1.00 1.00 O ATOM 1158 CB HIS A 79 88.867 2.192 7.427 1.00 1.00 C ATOM 1159 CG HIS A 79 90.279 2.695 7.553 1.00 1.00 C ATOM 1160 ND1 HIS A 79 90.931 3.354 8.567 1.00 1.00 N flip ATOM 1161 CD2 HIS A 79 91.213 2.538 6.540 1.00 1.00 C flip ATOM 1162 CE1 HIS A 79 92.247 3.601 8.186 1.00 1.00 C flip ATOM 1163 NE2 HIS A 79 92.365 3.090 6.959 1.00 1.00 N flip ATOM 0 H HIS A 79 89.126 4.434 8.729 1.00 1.00 H new ATOM 0 HA HIS A 79 87.023 2.323 8.539 1.00 1.00 H new ATOM 0 HB2 HIS A 79 88.865 1.109 7.303 1.00 1.00 H new ATOM 0 HB3 HIS A 79 88.397 2.615 6.539 1.00 1.00 H new ATOM 0 HD2 HIS A 79 91.045 2.059 5.587 1.00 1.00 H new ATOM 0 HE1 HIS A 79 93.011 4.101 8.762 1.00 1.00 H new ATOM 0 HE2 HIS A 79 93.223 3.115 6.407 1.00 1.00 H new ATOM 1172 N GLU A 80 87.854 1.699 10.926 1.00 1.00 N ATOM 1173 CA GLU A 80 88.328 0.961 12.135 1.00 1.00 C ATOM 1174 C GLU A 80 87.355 -0.183 12.425 1.00 1.00 C ATOM 1175 O GLU A 80 87.752 -1.269 12.798 1.00 1.00 O ATOM 1176 CB GLU A 80 88.386 1.925 13.331 1.00 1.00 C ATOM 1177 CG GLU A 80 89.817 1.987 13.868 1.00 1.00 C ATOM 1178 CD GLU A 80 90.745 2.542 12.786 1.00 1.00 C ATOM 1179 OE1 GLU A 80 90.716 3.741 12.565 1.00 1.00 O ATOM 1180 OE2 GLU A 80 91.470 1.757 12.196 1.00 1.00 O ATOM 0 H GLU A 80 86.910 2.080 10.995 1.00 1.00 H new ATOM 0 HA GLU A 80 89.325 0.555 11.963 1.00 1.00 H new ATOM 0 HB2 GLU A 80 88.057 2.919 13.027 1.00 1.00 H new ATOM 0 HB3 GLU A 80 87.706 1.590 14.115 1.00 1.00 H new ATOM 0 HG2 GLU A 80 89.857 2.619 14.755 1.00 1.00 H new ATOM 0 HG3 GLU A 80 90.147 0.993 14.170 1.00 1.00 H new ATOM 1187 N LEU A 81 86.084 0.047 12.240 1.00 1.00 N ATOM 1188 CA LEU A 81 85.089 -1.033 12.486 1.00 1.00 C ATOM 1189 C LEU A 81 84.947 -1.855 11.205 1.00 1.00 C ATOM 1190 O LEU A 81 84.004 -2.599 11.032 1.00 1.00 O ATOM 1191 CB LEU A 81 83.729 -0.427 12.861 1.00 1.00 C ATOM 1192 CG LEU A 81 83.928 0.711 13.863 1.00 1.00 C ATOM 1193 CD1 LEU A 81 84.868 0.252 14.979 1.00 1.00 C ATOM 1194 CD2 LEU A 81 84.538 1.918 13.147 1.00 1.00 C ATOM 0 H LEU A 81 85.692 0.936 11.929 1.00 1.00 H new ATOM 0 HA LEU A 81 85.425 -1.664 13.309 1.00 1.00 H new ATOM 0 HB2 LEU A 81 83.228 -0.054 11.968 1.00 1.00 H new ATOM 0 HB3 LEU A 81 83.085 -1.194 13.291 1.00 1.00 H new ATOM 0 HG LEU A 81 82.965 0.989 14.292 1.00 1.00 H new ATOM 0 HD11 LEU A 81 85.009 1.064 15.693 1.00 1.00 H new ATOM 0 HD12 LEU A 81 84.434 -0.608 15.489 1.00 1.00 H new ATOM 0 HD13 LEU A 81 85.831 -0.027 14.552 1.00 1.00 H new ATOM 0 HD21 LEU A 81 84.680 2.730 13.860 1.00 1.00 H new ATOM 0 HD22 LEU A 81 85.500 1.639 12.718 1.00 1.00 H new ATOM 0 HD23 LEU A 81 83.868 2.246 12.352 1.00 1.00 H new ATOM 1206 N ALA A 82 85.882 -1.715 10.304 1.00 1.00 N ATOM 1207 CA ALA A 82 85.816 -2.476 9.025 1.00 1.00 C ATOM 1208 C ALA A 82 85.975 -3.976 9.303 1.00 1.00 C ATOM 1209 O ALA A 82 86.851 -4.624 8.765 1.00 1.00 O ATOM 1210 CB ALA A 82 86.938 -1.999 8.097 1.00 1.00 C ATOM 0 H ALA A 82 86.692 -1.103 10.400 1.00 1.00 H new ATOM 0 HA ALA A 82 84.851 -2.305 8.549 1.00 1.00 H new ATOM 0 HB1 ALA A 82 86.895 -2.553 7.159 1.00 1.00 H new ATOM 0 HB2 ALA A 82 86.816 -0.935 7.896 1.00 1.00 H new ATOM 0 HB3 ALA A 82 87.903 -2.170 8.575 1.00 1.00 H new ATOM 1216 N GLN A 83 85.128 -4.536 10.132 1.00 1.00 N ATOM 1217 CA GLN A 83 85.228 -5.996 10.430 1.00 1.00 C ATOM 1218 C GLN A 83 85.414 -6.753 9.117 1.00 1.00 C ATOM 1219 O GLN A 83 86.521 -6.984 8.672 1.00 1.00 O ATOM 1220 CB GLN A 83 83.939 -6.475 11.110 1.00 1.00 C ATOM 1221 CG GLN A 83 83.999 -6.153 12.605 1.00 1.00 C ATOM 1222 CD GLN A 83 85.011 -7.076 13.286 1.00 1.00 C ATOM 1223 OE1 GLN A 83 84.966 -8.278 13.113 1.00 1.00 O ATOM 1224 NE2 GLN A 83 85.928 -6.562 14.059 1.00 1.00 N ATOM 0 H GLN A 83 84.374 -4.045 10.613 1.00 1.00 H new ATOM 0 HA GLN A 83 86.073 -6.179 11.093 1.00 1.00 H new ATOM 0 HB2 GLN A 83 83.075 -5.989 10.657 1.00 1.00 H new ATOM 0 HB3 GLN A 83 83.815 -7.548 10.963 1.00 1.00 H new ATOM 0 HG2 GLN A 83 84.284 -5.111 12.752 1.00 1.00 H new ATOM 0 HG3 GLN A 83 83.014 -6.280 13.055 1.00 1.00 H new ATOM 0 HE21 GLN A 83 85.966 -5.553 14.204 1.00 1.00 H new ATOM 0 HE22 GLN A 83 86.607 -7.169 14.518 1.00 1.00 H new ATOM 1233 N TYR A 84 84.336 -7.124 8.483 1.00 1.00 N ATOM 1234 CA TYR A 84 84.455 -7.844 7.186 1.00 1.00 C ATOM 1235 C TYR A 84 84.860 -6.833 6.117 1.00 1.00 C ATOM 1236 O TYR A 84 85.740 -7.078 5.318 1.00 1.00 O ATOM 1237 CB TYR A 84 83.110 -8.480 6.809 1.00 1.00 C ATOM 1238 CG TYR A 84 82.267 -8.653 8.050 1.00 1.00 C ATOM 1239 CD1 TYR A 84 82.775 -9.353 9.150 1.00 1.00 C ATOM 1240 CD2 TYR A 84 80.976 -8.113 8.099 1.00 1.00 C ATOM 1241 CE1 TYR A 84 81.994 -9.513 10.300 1.00 1.00 C ATOM 1242 CE2 TYR A 84 80.194 -8.273 9.250 1.00 1.00 C ATOM 1243 CZ TYR A 84 80.703 -8.973 10.350 1.00 1.00 C ATOM 1244 OH TYR A 84 79.932 -9.131 11.484 1.00 1.00 O ATOM 0 H TYR A 84 83.382 -6.960 8.806 1.00 1.00 H new ATOM 0 HA TYR A 84 85.201 -8.634 7.267 1.00 1.00 H new ATOM 0 HB2 TYR A 84 82.588 -7.851 6.087 1.00 1.00 H new ATOM 0 HB3 TYR A 84 83.274 -9.446 6.331 1.00 1.00 H new ATOM 0 HD1 TYR A 84 83.770 -9.770 9.111 1.00 1.00 H new ATOM 0 HD2 TYR A 84 80.583 -7.573 7.250 1.00 1.00 H new ATOM 0 HE1 TYR A 84 82.387 -10.053 11.149 1.00 1.00 H new ATOM 0 HE2 TYR A 84 79.198 -7.856 9.289 1.00 1.00 H new ATOM 0 HH TYR A 84 79.064 -8.695 11.353 1.00 1.00 H new ATOM 1254 N GLY A 85 84.226 -5.690 6.108 1.00 1.00 N ATOM 1255 CA GLY A 85 84.575 -4.652 5.104 1.00 1.00 C ATOM 1256 C GLY A 85 86.095 -4.515 5.040 1.00 1.00 C ATOM 1257 O GLY A 85 86.784 -4.674 6.029 1.00 1.00 O ATOM 0 H GLY A 85 83.481 -5.434 6.755 1.00 1.00 H new ATOM 0 HA2 GLY A 85 84.180 -4.926 4.126 1.00 1.00 H new ATOM 0 HA3 GLY A 85 84.122 -3.698 5.375 1.00 1.00 H new ATOM 1261 N ILE A 86 86.628 -4.231 3.887 1.00 1.00 N ATOM 1262 CA ILE A 86 88.111 -4.098 3.778 1.00 1.00 C ATOM 1263 C ILE A 86 88.496 -3.324 2.509 1.00 1.00 C ATOM 1264 O ILE A 86 89.416 -2.531 2.519 1.00 1.00 O ATOM 1265 CB ILE A 86 88.740 -5.497 3.737 1.00 1.00 C ATOM 1266 CG1 ILE A 86 90.254 -5.369 3.557 1.00 1.00 C ATOM 1267 CG2 ILE A 86 88.154 -6.287 2.565 1.00 1.00 C ATOM 1268 CD1 ILE A 86 90.828 -4.486 4.667 1.00 1.00 C ATOM 0 H ILE A 86 86.109 -4.086 3.021 1.00 1.00 H new ATOM 0 HA ILE A 86 88.480 -3.547 4.643 1.00 1.00 H new ATOM 0 HB ILE A 86 88.526 -6.019 4.670 1.00 1.00 H new ATOM 0 HG12 ILE A 86 90.719 -6.355 3.585 1.00 1.00 H new ATOM 0 HG13 ILE A 86 90.480 -4.938 2.582 1.00 1.00 H new ATOM 0 HG21 ILE A 86 88.601 -7.281 2.536 1.00 1.00 H new ATOM 0 HG22 ILE A 86 87.075 -6.378 2.691 1.00 1.00 H new ATOM 0 HG23 ILE A 86 88.368 -5.766 1.632 1.00 1.00 H new ATOM 0 HD11 ILE A 86 91.907 -4.395 4.538 1.00 1.00 H new ATOM 0 HD12 ILE A 86 90.372 -3.497 4.618 1.00 1.00 H new ATOM 0 HD13 ILE A 86 90.615 -4.936 5.637 1.00 1.00 H new ATOM 1280 N CYS A 87 87.821 -3.550 1.414 1.00 1.00 N ATOM 1281 CA CYS A 87 88.185 -2.825 0.162 1.00 1.00 C ATOM 1282 C CYS A 87 88.188 -1.317 0.427 1.00 1.00 C ATOM 1283 CB CYS A 87 87.172 -3.149 -0.943 1.00 1.00 C ATOM 1284 SG CYS A 87 86.222 -4.619 -0.481 1.00 1.00 S ATOM 0 H CYS A 87 87.039 -4.200 1.332 1.00 1.00 H new ATOM 0 HA CYS A 87 89.177 -3.141 -0.159 1.00 1.00 H new ATOM 0 HB2 CYS A 87 86.502 -2.303 -1.096 1.00 1.00 H new ATOM 0 HB3 CYS A 87 87.690 -3.320 -1.887 1.00 1.00 H new TER 1289 CYS A 87 HETATM 1290 C1C RCY A 110 64.699 -11.560 6.687 1.00 1.00 C HETATM 1291 O1G RCY A 110 62.269 -12.603 9.252 1.00 1.00 O HETATM 1292 O1H RCY A 110 64.190 -8.542 10.708 1.00 1.00 O HETATM 1293 O1J RCY A 110 64.710 -9.438 4.550 1.00 1.00 O HETATM 1294 C1L RCY A 110 62.972 -11.773 11.444 1.00 1.00 C HETATM 1295 C1M RCY A 110 63.077 -8.454 7.877 1.00 1.00 C HETATM 1296 C1P RCY A 110 62.784 -11.710 9.923 1.00 1.00 C HETATM 1297 C1Q RCY A 110 63.931 -9.737 10.571 1.00 1.00 C HETATM 1298 N1R RCY A 110 63.316 -10.399 9.345 1.00 1.00 N HETATM 1299 C1S RCY A 110 64.167 -10.827 11.601 1.00 1.00 C HETATM 1300 C1U RCY A 110 63.254 -9.878 7.908 1.00 1.00 C HETATM 1301 C1V RCY A 110 65.773 -9.628 7.928 1.00 1.00 C HETATM 1302 N1V RCY A 110 64.317 -9.201 5.936 1.00 1.00 N HETATM 1303 C1W RCY A 110 63.576 -7.991 6.503 1.00 1.00 C HETATM 1304 C1X RCY A 110 64.553 -10.105 7.138 1.00 1.00 C HETATM 1305 C1Y RCY A 110 64.528 -6.801 6.648 1.00 1.00 C HETATM 1306 C1Z RCY A 110 62.410 -7.640 5.578 1.00 1.00 C HETATM 0 H1ZB RCY A 110 61.778 -8.518 5.440 1.00 1.00 H new HETATM 0 H1ZA RCY A 110 61.822 -6.836 6.022 1.00 1.00 H new HETATM 0 H1VB RCY A 110 65.898 -10.249 8.815 1.00 1.00 H new HETATM 0 H1VA RCY A 110 66.663 -9.704 7.304 1.00 1.00 H new HETATM 0 H1MA RCY A 110 62.030 -8.189 8.020 1.00 1.00 H new HETATM 0 H1Z RCY A 110 62.797 -7.315 4.612 1.00 1.00 H new HETATM 0 H1Y RCY A 110 64.871 -6.487 5.662 1.00 1.00 H new HETATM 0 H1V RCY A 110 65.629 -8.590 8.229 1.00 1.00 H new HETATM 0 H1S RCY A 110 65.109 -11.345 11.421 1.00 1.00 H new HETATM 1309 C1C RCY A 121 64.700 8.510 9.303 1.00 1.00 C HETATM 1310 O1G RCY A 121 64.906 9.843 10.797 1.00 1.00 O HETATM 1311 O1H RCY A 121 69.586 9.353 11.190 1.00 1.00 O HETATM 1312 O1J RCY A 121 65.282 10.864 7.517 1.00 1.00 O HETATM 1313 C1L RCY A 121 66.555 10.720 12.378 1.00 1.00 C HETATM 1314 C1M RCY A 121 68.280 8.631 8.374 1.00 1.00 C HETATM 1315 C1P RCY A 121 66.073 9.889 11.181 1.00 1.00 C HETATM 1316 C1Q RCY A 121 68.389 9.449 11.454 1.00 1.00 C HETATM 1317 N1R RCY A 121 67.224 9.127 10.527 1.00 1.00 N HETATM 1318 C1S RCY A 121 67.798 9.915 12.773 1.00 1.00 C HETATM 1319 C1U RCY A 121 67.219 8.260 9.266 1.00 1.00 C HETATM 1320 C1V RCY A 121 65.833 7.365 7.345 1.00 1.00 C HETATM 1321 N1V RCY A 121 66.236 9.795 7.798 1.00 1.00 N HETATM 1322 C1W RCY A 121 67.738 9.788 7.525 1.00 1.00 C HETATM 1323 C1X RCY A 121 65.954 8.438 8.429 1.00 1.00 C HETATM 1324 C1Y RCY A 121 68.011 9.539 6.039 1.00 1.00 C HETATM 1325 C1Z RCY A 121 68.333 11.126 7.965 1.00 1.00 C HETATM 0 H1ZB RCY A 121 68.078 11.312 9.008 1.00 1.00 H new HETATM 0 H1ZA RCY A 121 69.417 11.095 7.857 1.00 1.00 H new HETATM 0 H1YB RCY A 121 69.085 9.454 5.876 1.00 1.00 H new HETATM 0 H1YA RCY A 121 67.523 8.615 5.729 1.00 1.00 H new HETATM 0 H1VB RCY A 121 65.686 6.391 7.812 1.00 1.00 H new HETATM 0 H1VA RCY A 121 64.982 7.591 6.703 1.00 1.00 H new HETATM 0 H1MA RCY A 121 69.167 8.937 8.929 1.00 1.00 H new HETATM 0 H1LA RCY A 121 66.793 11.748 12.104 1.00 1.00 H new HETATM 0 H1CB RCY A 121 64.603 7.589 9.877 1.00 1.00 H new HETATM 0 H1CA RCY A 121 64.780 9.356 9.986 1.00 1.00 H new HETATM 0 H1Y RCY A 121 67.619 10.370 5.453 1.00 1.00 H new HETATM 0 H1V RCY A 121 66.744 7.347 6.747 1.00 1.00 H new HETATM 0 H1U RCY A 121 67.312 7.240 9.640 1.00 1.00 H new HETATM 0 H1S RCY A 121 67.537 9.070 13.411 1.00 1.00 H new HETATM 0 H1M RCY A 121 68.572 7.790 7.745 1.00 1.00 H new HETATM 0 H1L RCY A 121 65.816 10.767 13.178 1.00 1.00 H new HETATM 0 H1C RCY A 121 63.822 8.637 8.670 1.00 1.00 H new HETATM 1328 C1C RCY A 130 79.102 14.296 -2.440 1.00 1.00 C HETATM 1329 O1G RCY A 130 77.028 13.881 -3.511 1.00 1.00 O HETATM 1330 O1H RCY A 130 77.952 9.267 -3.121 1.00 1.00 O HETATM 1331 O1J RCY A 130 76.545 14.984 -1.005 1.00 1.00 O HETATM 1332 C1L RCY A 130 76.459 11.937 -4.884 1.00 1.00 C HETATM 1333 C1M RCY A 130 77.917 11.457 -0.384 1.00 1.00 C HETATM 1334 C1P RCY A 130 77.120 12.671 -3.710 1.00 1.00 C HETATM 1335 C1Q RCY A 130 77.781 10.396 -3.577 1.00 1.00 C HETATM 1336 N1R RCY A 130 77.908 11.712 -2.819 1.00 1.00 N HETATM 1337 C1S RCY A 130 77.403 10.736 -5.007 1.00 1.00 C HETATM 1338 C1U RCY A 130 78.638 11.990 -1.504 1.00 1.00 C HETATM 1339 C1V RCY A 130 79.728 13.749 -0.045 1.00 1.00 C HETATM 1340 N1V RCY A 130 77.326 13.776 -0.752 1.00 1.00 N HETATM 1341 C1W RCY A 130 76.892 12.527 0.013 1.00 1.00 C HETATM 1342 C1X RCY A 130 78.753 13.481 -1.193 1.00 1.00 C HETATM 1343 C1Y RCY A 130 76.937 12.782 1.522 1.00 1.00 C HETATM 1344 C1Z RCY A 130 75.482 12.135 -0.426 1.00 1.00 C HETATM 0 H1ZB RCY A 130 75.458 12.017 -1.509 1.00 1.00 H new HETATM 0 H1ZA RCY A 130 75.202 11.194 0.048 1.00 1.00 H new HETATM 0 H1YB RCY A 130 76.708 11.859 2.054 1.00 1.00 H new HETATM 0 H1YA RCY A 130 77.933 13.125 1.803 1.00 1.00 H new HETATM 0 H1VB RCY A 130 80.738 13.482 -0.356 1.00 1.00 H new HETATM 0 H1VA RCY A 130 79.698 14.806 0.219 1.00 1.00 H new HETATM 0 H1MA RCY A 130 77.422 10.523 -0.649 1.00 1.00 H new HETATM 0 H1LA RCY A 130 75.433 11.641 -4.667 1.00 1.00 H new HETATM 0 H1CB RCY A 130 80.056 13.956 -2.842 1.00 1.00 H new HETATM 0 H1CA RCY A 130 78.324 14.162 -3.192 1.00 1.00 H new HETATM 0 H1Z RCY A 130 74.779 12.914 -0.130 1.00 1.00 H new HETATM 0 H1Y RCY A 130 76.203 13.544 1.784 1.00 1.00 H new HETATM 0 H1V RCY A 130 79.444 13.151 0.821 1.00 1.00 H new HETATM 0 H1U RCY A 130 79.618 11.532 -1.639 1.00 1.00 H new HETATM 0 H1S RCY A 130 78.283 10.983 -5.601 1.00 1.00 H new HETATM 0 H1M RCY A 130 78.591 11.237 0.444 1.00 1.00 H new HETATM 0 H1L RCY A 130 76.431 12.541 -5.791 1.00 1.00 H new HETATM 0 H1C RCY A 130 79.175 15.351 -2.176 1.00 1.00 H new HETATM 1347 C1C RCY A 138 85.848 3.704 -2.209 1.00 1.00 C HETATM 1348 O1G RCY A 138 83.057 5.206 -3.628 1.00 1.00 O HETATM 1349 O1H RCY A 138 85.356 2.319 -6.575 1.00 1.00 O HETATM 1350 O1J RCY A 138 83.296 4.774 -1.022 1.00 1.00 O HETATM 1351 C1L RCY A 138 83.870 5.456 -5.923 1.00 1.00 C HETATM 1352 C1M RCY A 138 82.920 1.747 -3.346 1.00 1.00 C HETATM 1353 C1P RCY A 138 83.661 4.729 -4.588 1.00 1.00 C HETATM 1354 C1Q RCY A 138 84.990 3.316 -5.955 1.00 1.00 C HETATM 1355 N1R RCY A 138 84.296 3.340 -4.598 1.00 1.00 N HETATM 1356 C1S RCY A 138 85.148 4.758 -6.403 1.00 1.00 C HETATM 1357 C1U RCY A 138 84.253 2.246 -3.529 1.00 1.00 C HETATM 1358 C1V RCY A 138 84.884 1.606 -1.162 1.00 1.00 C HETATM 1359 N1V RCY A 138 83.390 3.522 -1.767 1.00 1.00 N HETATM 1360 C1W RCY A 138 82.245 2.691 -2.343 1.00 1.00 C HETATM 1361 C1X RCY A 138 84.649 2.755 -2.144 1.00 1.00 C HETATM 1362 C1Y RCY A 138 81.553 1.892 -1.234 1.00 1.00 C HETATM 1363 C1Z RCY A 138 81.250 3.621 -3.038 1.00 1.00 C HETATM 0 H1ZB RCY A 138 81.773 4.222 -3.782 1.00 1.00 H new HETATM 0 H1ZA RCY A 138 80.478 3.027 -3.528 1.00 1.00 H new HETATM 0 H1YB RCY A 138 80.796 1.242 -1.672 1.00 1.00 H new HETATM 0 H1YA RCY A 138 82.291 1.286 -0.708 1.00 1.00 H new HETATM 0 H1VB RCY A 138 85.756 1.032 -1.475 1.00 1.00 H new HETATM 0 H1VA RCY A 138 85.054 2.010 -0.164 1.00 1.00 H new HETATM 0 H1MA RCY A 138 82.377 1.730 -4.291 1.00 1.00 H new HETATM 0 H1LA RCY A 138 83.035 5.317 -6.610 1.00 1.00 H new HETATM 0 H1CB RCY A 138 86.703 3.182 -2.639 1.00 1.00 H new HETATM 0 H1CA RCY A 138 85.598 4.564 -2.831 1.00 1.00 H new HETATM 0 H1Z RCY A 138 80.789 4.277 -2.300 1.00 1.00 H new HETATM 0 H1Y RCY A 138 81.080 2.579 -0.532 1.00 1.00 H new HETATM 0 H1V RCY A 138 84.009 0.956 -1.146 1.00 1.00 H new HETATM 0 H1U RCY A 138 84.947 1.488 -3.892 1.00 1.00 H new HETATM 0 H1S RCY A 138 86.036 5.214 -5.966 1.00 1.00 H new HETATM 0 H1M RCY A 138 82.935 0.724 -2.969 1.00 1.00 H new HETATM 0 H1L RCY A 138 84.003 6.530 -5.797 1.00 1.00 H new HETATM 0 H1C RCY A 138 86.098 4.044 -1.204 1.00 1.00 H new HETATM 1366 C1C RCY A 150 79.498 -3.248 -2.998 1.00 1.00 C HETATM 1367 O1G RCY A 150 80.637 -7.137 -6.752 1.00 1.00 O HETATM 1368 O1H RCY A 150 77.577 -4.184 -4.699 1.00 1.00 O HETATM 1369 O1J RCY A 150 82.300 -2.293 -2.445 1.00 1.00 O HETATM 1370 C1L RCY A 150 78.253 -6.698 -7.085 1.00 1.00 C HETATM 1371 C1M RCY A 150 81.965 -5.069 -5.069 1.00 1.00 C HETATM 1372 C1P RCY A 150 79.622 -6.532 -6.412 1.00 1.00 C HETATM 1373 C1Q RCY A 150 78.083 -5.179 -5.216 1.00 1.00 C HETATM 1374 N1R RCY A 150 79.567 -5.521 -5.268 1.00 1.00 N HETATM 1375 C1S RCY A 150 77.339 -6.298 -5.922 1.00 1.00 C HETATM 1376 C1U RCY A 150 80.702 -4.983 -4.394 1.00 1.00 C HETATM 1377 C1V RCY A 150 80.284 -2.671 -5.338 1.00 1.00 C HETATM 1378 N1V RCY A 150 81.943 -3.194 -3.537 1.00 1.00 N HETATM 1379 C1W RCY A 150 82.883 -4.044 -4.390 1.00 1.00 C HETATM 1380 C1X RCY A 150 80.553 -3.496 -4.078 1.00 1.00 C HETATM 1381 C1Y RCY A 150 83.588 -3.177 -5.436 1.00 1.00 C HETATM 1382 C1Z RCY A 150 83.903 -4.729 -3.481 1.00 1.00 C HETATM 0 H1ZB RCY A 150 83.381 -5.292 -2.708 1.00 1.00 H new HETATM 0 H1ZA RCY A 150 84.518 -5.408 -4.071 1.00 1.00 H new HETATM 0 H1YB RCY A 150 84.188 -3.811 -6.089 1.00 1.00 H new HETATM 0 H1YA RCY A 150 82.844 -2.646 -6.030 1.00 1.00 H new HETATM 0 H1VB RCY A 150 79.309 -2.937 -5.746 1.00 1.00 H new HETATM 0 H1VA RCY A 150 80.295 -1.610 -5.088 1.00 1.00 H new HETATM 0 H1MA RCY A 150 82.380 -6.074 -4.992 1.00 1.00 H new HETATM 0 H1LA RCY A 150 78.133 -6.049 -7.952 1.00 1.00 H new HETATM 0 H1CB RCY A 150 78.533 -3.624 -3.339 1.00 1.00 H new HETATM 0 H1Z RCY A 150 84.538 -3.976 -3.015 1.00 1.00 H new HETATM 0 H1Y RCY A 150 84.234 -2.456 -4.935 1.00 1.00 H new HETATM 0 H1V RCY A 150 81.056 -2.877 -6.079 1.00 1.00 H new HETATM 0 H1U RCY A 150 80.658 -5.591 -3.491 1.00 1.00 H new HETATM 0 H1S RCY A 150 77.159 -7.139 -5.252 1.00 1.00 H new HETATM 0 H1M RCY A 150 81.855 -4.850 -6.131 1.00 1.00 H new HETATM 0 H1L RCY A 150 78.075 -7.719 -7.424 1.00 1.00 H new HETATM 1385 C1C RCY A 160 72.721 6.268 0.892 1.00 1.00 C HETATM 1386 O1G RCY A 160 68.829 9.482 -0.065 1.00 1.00 O HETATM 1387 O1H RCY A 160 71.308 5.514 -0.705 1.00 1.00 O HETATM 1388 O1J RCY A 160 73.974 6.364 -1.844 1.00 1.00 O HETATM 1389 C1L RCY A 160 68.233 7.243 -0.852 1.00 1.00 C HETATM 1390 C1M RCY A 160 72.290 9.599 -0.660 1.00 1.00 C HETATM 1391 C1P RCY A 160 69.184 8.342 -0.359 1.00 1.00 C HETATM 1392 C1Q RCY A 160 70.509 6.437 -0.855 1.00 1.00 C HETATM 1393 N1R RCY A 160 70.626 7.843 -0.280 1.00 1.00 N HETATM 1394 C1S RCY A 160 69.218 6.383 -1.651 1.00 1.00 C HETATM 1395 C1U RCY A 160 71.872 8.562 0.240 1.00 1.00 C HETATM 1396 C1V RCY A 160 74.230 8.292 1.122 1.00 1.00 C HETATM 1397 N1V RCY A 160 73.461 7.534 -1.138 1.00 1.00 N HETATM 1398 C1W RCY A 160 73.176 8.921 -1.712 1.00 1.00 C HETATM 1399 C1X RCY A 160 73.090 7.644 0.334 1.00 1.00 C HETATM 1400 C1Y RCY A 160 74.481 9.700 -1.901 1.00 1.00 C HETATM 1401 C1Z RCY A 160 72.441 8.770 -3.044 1.00 1.00 C HETATM 0 H1ZB RCY A 160 71.548 8.162 -2.900 1.00 1.00 H new HETATM 0 H1ZA RCY A 160 72.154 9.754 -3.415 1.00 1.00 H new HETATM 0 H1YB RCY A 160 74.255 10.714 -2.231 1.00 1.00 H new HETATM 0 H1YA RCY A 160 75.022 9.738 -0.956 1.00 1.00 H new HETATM 0 H1VB RCY A 160 73.929 8.415 2.162 1.00 1.00 H new HETATM 0 H1VA RCY A 160 75.114 7.656 1.073 1.00 1.00 H new HETATM 0 H1MA RCY A 160 71.430 10.079 -1.127 1.00 1.00 H new HETATM 0 H1LA RCY A 160 67.769 6.694 -0.033 1.00 1.00 H new HETATM 0 H1CB RCY A 160 72.300 6.381 1.891 1.00 1.00 H new HETATM 0 H1CA RCY A 160 71.986 5.796 0.240 1.00 1.00 H new HETATM 0 H1Z RCY A 160 73.096 8.286 -3.768 1.00 1.00 H new HETATM 0 H1Y RCY A 160 75.096 9.203 -2.651 1.00 1.00 H new HETATM 0 H1V RCY A 160 74.461 9.267 0.693 1.00 1.00 H new HETATM 0 H1U RCY A 160 71.576 8.939 1.219 1.00 1.00 H new HETATM 0 H1S RCY A 160 69.358 6.773 -2.659 1.00 1.00 H new HETATM 0 H1M RCY A 160 72.841 10.376 -0.130 1.00 1.00 H new HETATM 0 H1L RCY A 160 67.426 7.636 -1.470 1.00 1.00 H new HETATM 0 H1C RCY A 160 73.614 5.645 0.943 1.00 1.00 H new HETATM 1404 C1C RCY A 168 76.273 -0.630 5.043 1.00 1.00 C HETATM 1405 O1G RCY A 168 75.275 -1.364 -0.111 1.00 1.00 O HETATM 1406 O1H RCY A 168 74.124 -2.628 4.291 1.00 1.00 O HETATM 1407 O1J RCY A 168 79.012 0.579 4.717 1.00 1.00 O HETATM 1408 C1L RCY A 168 73.224 -2.237 0.899 1.00 1.00 C HETATM 1409 C1M RCY A 168 77.563 -1.147 1.613 1.00 1.00 C HETATM 1410 C1P RCY A 168 74.691 -1.789 0.885 1.00 1.00 C HETATM 1411 C1Q RCY A 168 74.226 -2.600 3.066 1.00 1.00 C HETATM 1412 N1R RCY A 168 75.338 -1.938 2.261 1.00 1.00 N HETATM 1413 C1S RCY A 168 73.262 -3.222 2.072 1.00 1.00 C HETATM 1414 C1U RCY A 168 76.738 -1.531 2.723 1.00 1.00 C HETATM 1415 C1V RCY A 168 75.913 0.845 3.013 1.00 1.00 C HETATM 1416 N1V RCY A 168 78.212 0.054 3.613 1.00 1.00 N HETATM 1417 C1W RCY A 168 78.676 -0.265 2.193 1.00 1.00 C HETATM 1418 C1X RCY A 168 76.731 -0.296 3.622 1.00 1.00 C HETATM 1419 C1Y RCY A 168 78.824 1.022 1.376 1.00 1.00 C HETATM 1420 C1Z RCY A 168 80.004 -1.018 2.258 1.00 1.00 C HETATM 0 H1ZB RCY A 168 79.893 -1.897 2.892 1.00 1.00 H new HETATM 0 H1ZA RCY A 168 80.296 -1.329 1.255 1.00 1.00 H new HETATM 0 H1YA RCY A 168 77.886 1.577 1.398 1.00 1.00 H new HETATM 0 H1VB RCY A 168 74.862 0.559 2.974 1.00 1.00 H new HETATM 0 H1VA RCY A 168 76.023 1.739 3.626 1.00 1.00 H new HETATM 0 H1MA RCY A 168 77.980 -2.023 1.116 1.00 1.00 H new HETATM 0 H1LA RCY A 168 72.536 -1.409 1.071 1.00 1.00 H new HETATM 0 H1Z RCY A 168 80.772 -0.366 2.673 1.00 1.00 H new HETATM 0 H1Y RCY A 168 79.618 1.635 1.803 1.00 1.00 H new HETATM 0 H1V RCY A 168 76.270 1.051 2.004 1.00 1.00 H new HETATM 0 H1S RCY A 168 73.604 -4.206 1.752 1.00 1.00 H new HETATM 0 H1M RCY A 168 76.984 -0.603 0.867 1.00 1.00 H new HETATM 0 H1L RCY A 168 72.924 -2.712 -0.035 1.00 1.00 H new HETATM 1423 C1C RCY A 173 75.948 -0.225 4.943 1.00 1.00 C HETATM 1424 O1G RCY A 173 76.862 -3.947 8.769 1.00 1.00 O HETATM 1425 O1H RCY A 173 75.249 -3.908 6.607 1.00 1.00 O HETATM 1426 O1J RCY A 173 75.530 -1.212 2.129 1.00 1.00 O HETATM 1427 C1L RCY A 173 76.435 -3.490 6.343 1.00 1.00 C HETATM 1428 C1M RCY A 173 77.072 -3.731 4.574 1.00 1.00 C HETATM 1429 C1P RCY A 173 76.460 -3.245 7.862 1.00 1.00 C HETATM 1430 C1Q RCY A 173 76.077 -3.463 7.400 1.00 1.00 C HETATM 1431 N1R RCY A 173 77.196 -2.583 6.733 1.00 1.00 N HETATM 1432 C1S RCY A 173 77.281 -2.619 7.321 1.00 1.00 C HETATM 1433 C1U RCY A 173 77.132 -2.447 5.211 1.00 1.00 C HETATM 1434 C1V RCY A 173 74.607 -2.335 5.364 1.00 1.00 C HETATM 1435 N1V RCY A 173 75.918 -2.067 3.246 1.00 1.00 N HETATM 1436 C1W RCY A 173 76.466 -3.492 3.186 1.00 1.00 C HETATM 1437 C1X RCY A 173 75.866 -1.738 4.732 1.00 1.00 C HETATM 1438 C1Y RCY A 173 75.336 -4.489 2.912 1.00 1.00 C HETATM 1439 C1Z RCY A 173 77.532 -3.572 2.093 1.00 1.00 C HETATM 0 H1ZB RCY A 173 78.295 -2.815 2.273 1.00 1.00 H new HETATM 0 H1ZA RCY A 173 77.992 -4.560 2.105 1.00 1.00 H new HETATM 0 H1YB RCY A 173 75.729 -5.505 2.955 1.00 1.00 H new HETATM 0 H1YA RCY A 173 74.555 -4.369 3.663 1.00 1.00 H new HETATM 0 H1MA RCY A 173 78.065 -4.173 4.494 1.00 1.00 H new HETATM 0 H1LA RCY A 173 76.807 -4.402 5.875 1.00 1.00 H new HETATM 0 H1CB RCY A 173 76.079 -0.012 6.004 1.00 1.00 H new HETATM 0 H1Z RCY A 173 77.070 -3.398 1.121 1.00 1.00 H new HETATM 0 H1Y RCY A 173 74.919 -4.303 1.922 1.00 1.00 H new HETATM 0 H1U RCY A 173 78.029 -1.884 4.954 1.00 1.00 H new HETATM 0 H1S RCY A 173 77.256 -1.529 7.334 1.00 1.00 H new HETATM 0 H1M RCY A 173 76.460 -4.424 5.152 1.00 1.00 H new HETATM 0 H1C RCY A 173 75.029 0.242 4.590 1.00 1.00 H new HETATM 1442 C1C RCY A 176 81.737 1.752 6.759 1.00 1.00 C HETATM 1443 O1G RCY A 176 81.132 5.395 4.740 1.00 1.00 O HETATM 1444 O1H RCY A 176 78.508 2.988 7.842 1.00 1.00 O HETATM 1445 O1J RCY A 176 79.384 0.365 8.027 1.00 1.00 O HETATM 1446 C1L RCY A 176 80.013 6.016 6.825 1.00 1.00 C HETATM 1447 C1M RCY A 176 78.760 1.891 4.564 1.00 1.00 C HETATM 1448 C1P RCY A 176 80.413 5.072 5.684 1.00 1.00 C HETATM 1449 C1Q RCY A 176 78.937 3.873 7.103 1.00 1.00 C HETATM 1450 N1R RCY A 176 79.806 3.682 5.866 1.00 1.00 N HETATM 1451 C1S RCY A 176 78.695 5.363 7.256 1.00 1.00 C HETATM 1452 C1U RCY A 176 80.011 2.418 5.029 1.00 1.00 C HETATM 1453 C1V RCY A 176 81.086 0.127 4.925 1.00 1.00 C HETATM 1454 N1V RCY A 176 79.409 0.835 6.645 1.00 1.00 N HETATM 1455 C1W RCY A 176 78.225 1.001 5.693 1.00 1.00 C HETATM 1456 C1X RCY A 176 80.620 1.268 5.831 1.00 1.00 C HETATM 1457 C1Y RCY A 176 77.785 -0.359 5.144 1.00 1.00 C HETATM 1458 C1Z RCY A 176 77.076 1.680 6.438 1.00 1.00 C HETATM 0 H1ZB RCY A 176 77.427 2.617 6.872 1.00 1.00 H new HETATM 0 H1ZA RCY A 176 76.262 1.884 5.743 1.00 1.00 H new HETATM 0 H1VB RCY A 176 81.918 0.468 4.309 1.00 1.00 H new HETATM 0 H1VA RCY A 176 81.410 -0.715 5.537 1.00 1.00 H new HETATM 0 H1MA RCY A 176 78.059 2.695 4.336 1.00 1.00 H new HETATM 0 H1LA RCY A 176 80.750 6.037 7.627 1.00 1.00 H new HETATM 0 H1CB RCY A 176 82.528 2.213 6.167 1.00 1.00 H new HETATM 0 H1CA RCY A 176 81.336 2.484 7.460 1.00 1.00 H new HETATM 0 H1Z RCY A 176 76.719 1.024 7.232 1.00 1.00 H new HETATM 0 H1V RCY A 176 80.263 -0.187 4.283 1.00 1.00 H new HETATM 0 H1U RCY A 176 80.668 2.736 4.220 1.00 1.00 H new HETATM 0 H1S RCY A 176 77.865 5.696 6.632 1.00 1.00 H new HETATM 0 H1L RCY A 176 79.879 7.044 6.489 1.00 1.00 H new HETATM 0 H1C RCY A 176 82.144 0.905 7.311 1.00 1.00 H new HETATM 1461 C1C RCY A 187 80.938 -2.871 -3.005 1.00 1.00 C HETATM 1462 O1G RCY A 187 83.032 -0.855 0.952 1.00 1.00 O HETATM 1463 O1H RCY A 187 83.382 -4.935 -1.399 1.00 1.00 O HETATM 1464 O1J RCY A 187 78.111 -1.960 -2.512 1.00 1.00 O HETATM 1465 C1L RCY A 187 84.920 -2.304 0.384 1.00 1.00 C HETATM 1466 C1M RCY A 187 80.346 -2.233 0.592 1.00 1.00 C HETATM 1467 C1P RCY A 187 83.443 -1.894 0.439 1.00 1.00 C HETATM 1468 C1Q RCY A 187 83.539 -4.039 -0.571 1.00 1.00 C HETATM 1469 N1R RCY A 187 82.545 -2.939 -0.222 1.00 1.00 N HETATM 1470 C1S RCY A 187 84.767 -3.826 0.295 1.00 1.00 C HETATM 1471 C1U RCY A 187 81.036 -2.900 -0.475 1.00 1.00 C HETATM 1472 C1V RCY A 187 81.338 -0.719 -1.726 1.00 1.00 C HETATM 1473 N1V RCY A 187 79.164 -1.941 -1.502 1.00 1.00 N HETATM 1474 C1W RCY A 187 79.007 -1.765 0.008 1.00 1.00 C HETATM 1475 C1X RCY A 187 80.663 -2.092 -1.717 1.00 1.00 C HETATM 1476 C1Y RCY A 187 78.753 -0.295 0.352 1.00 1.00 C HETATM 1477 C1Z RCY A 187 77.852 -2.640 0.496 1.00 1.00 C HETATM 0 H1ZB RCY A 187 78.022 -3.672 0.189 1.00 1.00 H new HETATM 0 H1ZA RCY A 187 77.792 -2.590 1.583 1.00 1.00 H new HETATM 0 H1VB RCY A 187 82.416 -0.844 -1.825 1.00 1.00 H new HETATM 0 H1VA RCY A 187 80.962 -0.134 -2.565 1.00 1.00 H new HETATM 0 H1MA RCY A 187 80.189 -2.906 1.435 1.00 1.00 H new HETATM 0 H1LA RCY A 187 85.437 -1.885 -0.479 1.00 1.00 H new HETATM 0 H1Z RCY A 187 76.917 -2.282 0.064 1.00 1.00 H new HETATM 0 H1Y RCY A 187 77.798 0.018 -0.071 1.00 1.00 H new HETATM 0 H1V RCY A 187 81.117 -0.199 -0.794 1.00 1.00 H new HETATM 0 H1U RCY A 187 80.754 -3.948 -0.579 1.00 1.00 H new HETATM 0 H1S RCY A 187 84.637 -4.270 1.282 1.00 1.00 H new HETATM 0 H1M RCY A 187 80.926 -1.388 0.962 1.00 1.00 H new HETATM 0 H1L RCY A 187 85.473 -1.991 1.270 1.00 1.00 H new