USER MOD reduce.3.24.130724 H: found=0, std=0, add=783, rem=0, adj=16 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 68 CYS H : A 68 CYS N : A 168 RCY O1H :(H bumps) USER MOD NoAdj-H: A 110 RCYH1SA : A 110 RCY C1S : A 10 CYS SG :(H bumps) USER MOD NoAdj-H: A 121 RCYH1SA : A 121 RCY C1S : A 21 CYS SG :(H bumps) USER MOD NoAdj-H: A 130 RCYH1SA : A 130 RCY C1S : A 30 CYS SG :(H bumps) USER MOD NoAdj-H: A 138 RCYH1YB : A 138 RCY C1Y : A 150 RCY C1C :(H bumps) USER MOD NoAdj-H: A 138 RCYH1SA : A 138 RCY C1S : A 38 CYS SG :(H bumps) USER MOD NoAdj-H: A 138 RCY H1Y : A 138 RCY C1Y : A 150 RCY C1C :(H bumps) USER MOD NoAdj-H: A 150 RCYH1SA : A 150 RCY C1S : A 50 CYS SG :(H bumps) USER MOD NoAdj-H: A 150 RCYH1CB : A 150 RCY C1C : A 138 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 150 RCY H1C : A 150 RCY C1C : A 138 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 160 RCYH1ZB : A 160 RCY C1Z : A 27 PRO N :(H bumps) USER MOD NoAdj-H: A 160 RCYH1ZA : A 160 RCY C1Z : A 27 PRO C :(H bumps) USER MOD NoAdj-H: A 160 RCYH1SA : A 160 RCY C1S : A 60 CYS SG :(H bumps) USER MOD NoAdj-H: A 160 RCYH1MA : A 160 RCY C1M : A 27 PRO O :(H bumps) USER MOD NoAdj-H: A 160 RCYH1LA : A 160 RCY C1L : A 29 LYS CA :(H bumps) USER MOD NoAdj-H: A 160 RCYH1CA : A 160 RCY C1C : A 31 LYS CG :(H bumps) USER MOD NoAdj-H: A 160 RCY H1Z : A 160 RCY C1Z : A 27 PRO N :(H bumps) USER MOD NoAdj-H: A 160 RCY H1S : A 160 RCY C1S : A 30 CYS N :(H bumps) USER MOD NoAdj-H: A 160 RCY H1L : A 160 RCY C1L : A 29 LYS CA :(H bumps) USER MOD NoAdj-H: A 160 RCY H1C : A 160 RCY C1C : A 31 LYS CG :(H bumps) USER MOD NoAdj-H: A 168 RCYH1YB : A 168 RCY C1Y : A 66 VAL CA :(H bumps) USER MOD NoAdj-H: A 168 RCYH1YA : A 168 RCY C1Y : A 66 VAL O :(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 RCYH1MA : A 168 RCY C1M : A 67 ILE CA :(H bumps) USER MOD NoAdj-H: A 168 RCYH1LA : A 168 RCY C1L : A 71 GLU CG :(H bumps) USER MOD NoAdj-H: A 168 RCYH1CA : A 168 RCY C1C : A 71 GLU OE2 :(H bumps) USER MOD NoAdj-H: A 168 RCY H1Y : A 168 RCY C1Y : A 66 VAL CA :(H bumps) USER MOD NoAdj-H: A 168 RCY H1M : A 168 RCY C1M : A 67 ILE CA :(H bumps) USER MOD NoAdj-H: A 168 RCY H1L : A 168 RCY C1L : A 71 GLU CB :(H bumps) USER MOD NoAdj-H: A 173 RCYH1ZB : A 173 RCY C1Z : A 176 RCY C1V :(H bumps) USER MOD NoAdj-H: A 173 RCYH1YB : A 173 RCY C1Y : A 176 RCY C1Z :(H bumps) USER MOD NoAdj-H: A 173 RCYH1YA : A 173 RCY C1Y : A 176 RCY C1Z :(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 RCYH1MA : A 173 RCY C1M : A 176 RCY C1C :(H bumps) USER MOD NoAdj-H: A 173 RCYH1CB : A 173 RCY C1C : A 176 RCY C1S :(H bumps) USER MOD NoAdj-H: A 173 RCYH1CA : A 173 RCY C1C : A 176 RCY N1R :(H bumps) USER MOD NoAdj-H: A 173 RCY H1Y : A 173 RCY C1Y : A 176 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 173 RCY H1U : A 173 RCY C1U : A 176 RCY C1C :(H bumps) USER MOD NoAdj-H: A 173 RCY H1M : A 173 RCY C1M : A 176 RCY N1V :(H bumps) USER MOD NoAdj-H: A 173 RCY H1C : A 173 RCY C1C : A 176 RCY C1P :(H bumps) USER MOD NoAdj-H: A 176 RCYH1VA : A 176 RCY C1V : A 173 RCY C1Z :(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 RCYH1CB : A 176 RCY C1C : A 173 RCY C1U :(H bumps) USER MOD NoAdj-H: A 176 RCYH1CA : A 176 RCY C1C : A 173 RCY C1M :(H bumps) USER MOD NoAdj-H: A 176 RCY H1V : A 176 RCY C1V : A 173 RCY C1Z :(H bumps) USER MOD NoAdj-H: A 176 RCY H1U : A 176 RCY C1U : A 173 RCY C1X :(H bumps) USER MOD NoAdj-H: A 176 RCY H1S : A 176 RCY C1S : A 173 RCY C1C :(H bumps) USER MOD NoAdj-H: A 176 RCY H1M : A 176 RCY C1M : A 173 RCY N1V :(H bumps) USER MOD NoAdj-H: A 187 RCYH1SA : A 187 RCY C1S : A 87 CYS SG :(H bumps) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 138:sc= 0.0157 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= 0 K(o=0,f=-2!) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 144:sc= 0.0952! USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.191 USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.0266 USER MOD Single : A 25 LYS NZ :NH3+ -143:sc= -16.5! (180deg=-20.5!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ -140:sc= -1.45! (180deg=-3.95!) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 GLN : amide:sc= -0.101 X(o=-0.1,f=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.0129 USER MOD Single : A 37 GLN :FLIP amide:sc= -0.0164 F(o=-1.5!,f=-0.016) 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+ 141:sc= -0.218 (180deg=-1.11!) USER MOD Single : A 44 LYS NZ :NH3+ -178:sc= -2.82! (180deg=-3.02) USER MOD Single : A 45 LYS NZ :NH3+ -137:sc=-0.000378 (180deg=-0.129) USER MOD Single : A 48 GLN : amide:sc= -6! C(o=-6!,f=-14!) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot -130:sc= -0.377 USER MOD Single : A 65 THR OG1 : rot 105:sc= -0.0915! USER MOD Single : A 74 ASN : amide:sc= -3.78! C(o=-3.8!,f=-6.6!) USER MOD Single : A 75 HIS : no HD1:sc= -2.31 K(o=-2.3,f=-3.3) USER MOD Single : A 79 HIS : no HD1:sc= -0.32 X(o=-0.32,f=-0.37) USER MOD Single : A 83 GLN :FLIP amide:sc= -0.36 F(o=-1.9,f=-0.36) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 61.784 8.975 -12.313 1.00 1.00 N ATOM 2 CA MET A 1 61.424 9.507 -10.969 1.00 1.00 C ATOM 3 C MET A 1 60.647 10.816 -11.131 1.00 1.00 C ATOM 4 O MET A 1 60.964 11.638 -11.968 1.00 1.00 O ATOM 5 CB MET A 1 62.703 9.763 -10.161 1.00 1.00 C ATOM 6 CG MET A 1 63.097 8.490 -9.410 1.00 1.00 C ATOM 7 SD MET A 1 62.100 8.343 -7.906 1.00 1.00 S ATOM 8 CE MET A 1 61.924 6.542 -7.925 1.00 1.00 C ATOM 0 H1 MET A 1 62.761 8.619 -12.295 1.00 1.00 H new ATOM 0 H2 MET A 1 61.137 8.200 -12.564 1.00 1.00 H new ATOM 0 H3 MET A 1 61.706 9.734 -13.019 1.00 1.00 H new ATOM 0 HA MET A 1 60.804 8.781 -10.443 1.00 1.00 H new ATOM 0 HB2 MET A 1 63.510 10.070 -10.826 1.00 1.00 H new ATOM 0 HB3 MET A 1 62.543 10.579 -9.456 1.00 1.00 H new ATOM 0 HG2 MET A 1 62.945 7.618 -10.046 1.00 1.00 H new ATOM 0 HG3 MET A 1 64.156 8.518 -9.155 1.00 1.00 H new ATOM 0 HE1 MET A 1 61.331 6.225 -7.067 1.00 1.00 H new ATOM 0 HE2 MET A 1 61.425 6.235 -8.844 1.00 1.00 H new ATOM 0 HE3 MET A 1 62.910 6.080 -7.875 1.00 1.00 H new ATOM 17 N ASN A 2 59.631 11.015 -10.337 1.00 1.00 N ATOM 18 CA ASN A 2 58.834 12.270 -10.443 1.00 1.00 C ATOM 19 C ASN A 2 58.417 12.488 -11.899 1.00 1.00 C ATOM 20 O ASN A 2 58.777 13.470 -12.518 1.00 1.00 O ATOM 21 CB ASN A 2 59.682 13.453 -9.972 1.00 1.00 C ATOM 22 CG ASN A 2 59.877 13.370 -8.457 1.00 1.00 C ATOM 23 OD1 ASN A 2 59.315 12.512 -7.806 1.00 1.00 O ATOM 24 ND2 ASN A 2 60.657 14.233 -7.864 1.00 1.00 N ATOM 0 H ASN A 2 59.318 10.362 -9.619 1.00 1.00 H new ATOM 0 HA ASN A 2 57.944 12.190 -9.819 1.00 1.00 H new ATOM 0 HB2 ASN A 2 60.649 13.444 -10.475 1.00 1.00 H new ATOM 0 HB3 ASN A 2 59.194 14.392 -10.236 1.00 1.00 H new ATOM 0 HD21 ASN A 2 60.794 14.187 -6.854 1.00 1.00 H new ATOM 0 HD22 ASN A 2 61.129 14.953 -8.410 1.00 1.00 H new ATOM 31 N LEU A 3 57.658 11.580 -12.450 1.00 1.00 N ATOM 32 CA LEU A 3 57.216 11.736 -13.864 1.00 1.00 C ATOM 33 C LEU A 3 56.176 10.663 -14.193 1.00 1.00 C ATOM 34 O LEU A 3 55.000 10.943 -14.319 1.00 1.00 O ATOM 35 CB LEU A 3 58.424 11.586 -14.797 1.00 1.00 C ATOM 36 CG LEU A 3 58.106 12.214 -16.155 1.00 1.00 C ATOM 37 CD1 LEU A 3 58.449 13.705 -16.122 1.00 1.00 C ATOM 38 CD2 LEU A 3 58.937 11.526 -17.240 1.00 1.00 C ATOM 0 H LEU A 3 57.325 10.737 -11.982 1.00 1.00 H new ATOM 0 HA LEU A 3 56.774 12.723 -14.001 1.00 1.00 H new ATOM 0 HB2 LEU A 3 59.297 12.068 -14.358 1.00 1.00 H new ATOM 0 HB3 LEU A 3 58.671 10.532 -14.922 1.00 1.00 H new ATOM 0 HG LEU A 3 57.045 12.090 -16.373 1.00 1.00 H new ATOM 0 HD11 LEU A 3 58.222 14.152 -17.090 1.00 1.00 H new ATOM 0 HD12 LEU A 3 57.860 14.197 -15.348 1.00 1.00 H new ATOM 0 HD13 LEU A 3 59.510 13.830 -15.904 1.00 1.00 H new ATOM 0 HD21 LEU A 3 58.712 11.972 -18.209 1.00 1.00 H new ATOM 0 HD22 LEU A 3 59.997 11.651 -17.021 1.00 1.00 H new ATOM 0 HD23 LEU A 3 58.695 10.464 -17.265 1.00 1.00 H new ATOM 50 N GLU A 4 56.598 9.434 -14.330 1.00 1.00 N ATOM 51 CA GLU A 4 55.632 8.342 -14.648 1.00 1.00 C ATOM 52 C GLU A 4 55.184 7.668 -13.343 1.00 1.00 C ATOM 53 O GLU A 4 56.001 7.335 -12.508 1.00 1.00 O ATOM 54 CB GLU A 4 56.318 7.308 -15.546 1.00 1.00 C ATOM 55 CG GLU A 4 55.261 6.415 -16.198 1.00 1.00 C ATOM 56 CD GLU A 4 55.938 5.446 -17.168 1.00 1.00 C ATOM 57 OE1 GLU A 4 57.100 5.140 -16.955 1.00 1.00 O ATOM 58 OE2 GLU A 4 55.284 5.025 -18.108 1.00 1.00 O ATOM 0 H GLU A 4 57.570 9.139 -14.235 1.00 1.00 H new ATOM 0 HA GLU A 4 54.764 8.755 -15.163 1.00 1.00 H new ATOM 0 HB2 GLU A 4 56.907 7.811 -16.313 1.00 1.00 H new ATOM 0 HB3 GLU A 4 57.009 6.703 -14.959 1.00 1.00 H new ATOM 0 HG2 GLU A 4 54.717 5.860 -15.434 1.00 1.00 H new ATOM 0 HG3 GLU A 4 54.531 7.026 -16.728 1.00 1.00 H new ATOM 65 N PRO A 5 53.900 7.464 -13.161 1.00 1.00 N ATOM 66 CA PRO A 5 53.362 6.818 -11.931 1.00 1.00 C ATOM 67 C PRO A 5 54.221 5.626 -11.477 1.00 1.00 C ATOM 68 O PRO A 5 54.692 4.855 -12.290 1.00 1.00 O ATOM 69 CB PRO A 5 51.973 6.345 -12.361 1.00 1.00 C ATOM 70 CG PRO A 5 51.549 7.308 -13.422 1.00 1.00 C ATOM 71 CD PRO A 5 52.824 7.821 -14.101 1.00 1.00 C ATOM 0 HA PRO A 5 53.350 7.500 -11.081 1.00 1.00 H new ATOM 0 HB2 PRO A 5 52.004 5.325 -12.743 1.00 1.00 H new ATOM 0 HB3 PRO A 5 51.277 6.350 -11.522 1.00 1.00 H new ATOM 0 HG2 PRO A 5 50.896 6.820 -14.146 1.00 1.00 H new ATOM 0 HG3 PRO A 5 50.984 8.134 -12.989 1.00 1.00 H new ATOM 0 HD2 PRO A 5 52.973 7.353 -15.074 1.00 1.00 H new ATOM 0 HD3 PRO A 5 52.781 8.897 -14.268 1.00 1.00 H new ATOM 79 N PRO A 6 54.421 5.470 -10.190 1.00 1.00 N ATOM 80 CA PRO A 6 55.234 4.348 -9.634 1.00 1.00 C ATOM 81 C PRO A 6 54.475 3.016 -9.663 1.00 1.00 C ATOM 82 O PRO A 6 53.273 2.980 -9.840 1.00 1.00 O ATOM 83 CB PRO A 6 55.502 4.782 -8.192 1.00 1.00 C ATOM 84 CG PRO A 6 54.343 5.652 -7.832 1.00 1.00 C ATOM 85 CD PRO A 6 53.895 6.340 -9.125 1.00 1.00 C ATOM 0 HA PRO A 6 56.141 4.173 -10.213 1.00 1.00 H new ATOM 0 HB2 PRO A 6 55.572 3.921 -7.527 1.00 1.00 H new ATOM 0 HB3 PRO A 6 56.444 5.325 -8.111 1.00 1.00 H new ATOM 0 HG2 PRO A 6 53.532 5.061 -7.406 1.00 1.00 H new ATOM 0 HG3 PRO A 6 54.629 6.388 -7.081 1.00 1.00 H new ATOM 0 HD2 PRO A 6 52.809 6.424 -9.177 1.00 1.00 H new ATOM 0 HD3 PRO A 6 54.297 7.350 -9.200 1.00 1.00 H new ATOM 93 N LYS A 7 55.169 1.922 -9.489 1.00 1.00 N ATOM 94 CA LYS A 7 54.491 0.591 -9.503 1.00 1.00 C ATOM 95 C LYS A 7 55.059 -0.281 -8.380 1.00 1.00 C ATOM 96 O LYS A 7 54.763 -0.081 -7.218 1.00 1.00 O ATOM 97 CB LYS A 7 54.732 -0.091 -10.854 1.00 1.00 C ATOM 98 CG LYS A 7 56.171 0.164 -11.307 1.00 1.00 C ATOM 99 CD LYS A 7 56.547 -0.837 -12.401 1.00 1.00 C ATOM 100 CE LYS A 7 58.024 -0.669 -12.762 1.00 1.00 C ATOM 101 NZ LYS A 7 58.386 -1.634 -13.837 1.00 1.00 N ATOM 0 H LYS A 7 56.177 1.892 -9.338 1.00 1.00 H new ATOM 0 HA LYS A 7 53.420 0.726 -9.352 1.00 1.00 H new ATOM 0 HB2 LYS A 7 54.551 -1.163 -10.769 1.00 1.00 H new ATOM 0 HB3 LYS A 7 54.033 0.293 -11.597 1.00 1.00 H new ATOM 0 HG2 LYS A 7 56.270 1.183 -11.682 1.00 1.00 H new ATOM 0 HG3 LYS A 7 56.852 0.068 -10.461 1.00 1.00 H new ATOM 0 HD2 LYS A 7 56.359 -1.854 -12.058 1.00 1.00 H new ATOM 0 HD3 LYS A 7 55.926 -0.678 -13.283 1.00 1.00 H new ATOM 0 HE2 LYS A 7 58.214 0.351 -13.096 1.00 1.00 H new ATOM 0 HE3 LYS A 7 58.646 -0.838 -11.883 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 59.390 -1.520 -14.082 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 58.220 -2.605 -13.503 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 57.801 -1.452 -14.678 1.00 1.00 H new ATOM 115 N ALA A 8 55.871 -1.245 -8.717 1.00 1.00 N ATOM 116 CA ALA A 8 56.457 -2.130 -7.669 1.00 1.00 C ATOM 117 C ALA A 8 55.338 -2.902 -6.967 1.00 1.00 C ATOM 118 O ALA A 8 54.377 -3.319 -7.583 1.00 1.00 O ATOM 119 CB ALA A 8 57.217 -1.279 -6.647 1.00 1.00 C ATOM 0 H ALA A 8 56.155 -1.459 -9.673 1.00 1.00 H new ATOM 0 HA ALA A 8 57.145 -2.836 -8.133 1.00 1.00 H new ATOM 0 HB1 ALA A 8 57.645 -1.926 -5.881 1.00 1.00 H new ATOM 0 HB2 ALA A 8 58.016 -0.734 -7.150 1.00 1.00 H new ATOM 0 HB3 ALA A 8 56.532 -0.571 -6.182 1.00 1.00 H new ATOM 125 N GLU A 9 55.454 -3.098 -5.681 1.00 1.00 N ATOM 126 CA GLU A 9 54.396 -3.844 -4.941 1.00 1.00 C ATOM 127 C GLU A 9 54.399 -3.408 -3.472 1.00 1.00 C ATOM 128 O GLU A 9 55.045 -2.448 -3.103 1.00 1.00 O ATOM 129 CB GLU A 9 54.677 -5.351 -5.037 1.00 1.00 C ATOM 130 CG GLU A 9 53.357 -6.109 -5.192 1.00 1.00 C ATOM 131 CD GLU A 9 52.887 -6.024 -6.646 1.00 1.00 C ATOM 132 OE1 GLU A 9 53.553 -6.589 -7.497 1.00 1.00 O ATOM 133 OE2 GLU A 9 51.869 -5.395 -6.882 1.00 1.00 O ATOM 0 H GLU A 9 56.235 -2.774 -5.111 1.00 1.00 H new ATOM 0 HA GLU A 9 53.420 -3.630 -5.377 1.00 1.00 H new ATOM 0 HB2 GLU A 9 55.328 -5.557 -5.887 1.00 1.00 H new ATOM 0 HB3 GLU A 9 55.201 -5.691 -4.144 1.00 1.00 H new ATOM 0 HG2 GLU A 9 53.488 -7.151 -4.901 1.00 1.00 H new ATOM 0 HG3 GLU A 9 52.602 -5.686 -4.529 1.00 1.00 H new ATOM 140 N CYS A 10 53.682 -4.106 -2.631 1.00 1.00 N ATOM 141 CA CYS A 10 53.648 -3.727 -1.190 1.00 1.00 C ATOM 142 C CYS A 10 54.835 -4.379 -0.468 1.00 1.00 C ATOM 143 O CYS A 10 55.971 -4.222 -0.870 1.00 1.00 O ATOM 144 CB CYS A 10 52.318 -4.188 -0.570 1.00 1.00 C ATOM 145 SG CYS A 10 51.244 -4.848 -1.868 1.00 1.00 S ATOM 0 H CYS A 10 53.120 -4.920 -2.880 1.00 1.00 H new ATOM 0 HA CYS A 10 53.724 -2.645 -1.087 1.00 1.00 H new ATOM 0 HB2 CYS A 10 52.502 -4.950 0.187 1.00 1.00 H new ATOM 0 HB3 CYS A 10 51.829 -3.353 -0.069 1.00 1.00 H new ATOM 150 N ARG A 11 54.599 -5.103 0.596 1.00 1.00 N ATOM 151 CA ARG A 11 55.728 -5.748 1.329 1.00 1.00 C ATOM 152 C ARG A 11 56.486 -4.683 2.124 1.00 1.00 C ATOM 153 O ARG A 11 57.594 -4.897 2.573 1.00 1.00 O ATOM 154 CB ARG A 11 56.677 -6.426 0.327 1.00 1.00 C ATOM 155 CG ARG A 11 57.336 -7.639 0.986 1.00 1.00 C ATOM 156 CD ARG A 11 58.152 -8.407 -0.056 1.00 1.00 C ATOM 157 NE ARG A 11 59.290 -7.562 -0.515 1.00 1.00 N ATOM 158 CZ ARG A 11 60.410 -7.555 0.156 1.00 1.00 C ATOM 159 NH1 ARG A 11 60.532 -8.287 1.229 1.00 1.00 N ATOM 160 NH2 ARG A 11 61.407 -6.815 -0.246 1.00 1.00 N ATOM 0 H ARG A 11 53.673 -5.275 0.988 1.00 1.00 H new ATOM 0 HA ARG A 11 55.337 -6.502 2.012 1.00 1.00 H new ATOM 0 HB2 ARG A 11 56.125 -6.736 -0.560 1.00 1.00 H new ATOM 0 HB3 ARG A 11 57.439 -5.720 -0.003 1.00 1.00 H new ATOM 0 HG2 ARG A 11 57.982 -7.316 1.803 1.00 1.00 H new ATOM 0 HG3 ARG A 11 56.575 -8.289 1.419 1.00 1.00 H new ATOM 0 HD2 ARG A 11 58.525 -9.337 0.372 1.00 1.00 H new ATOM 0 HD3 ARG A 11 57.520 -8.676 -0.902 1.00 1.00 H new ATOM 0 HE ARG A 11 59.194 -6.989 -1.353 1.00 1.00 H new ATOM 0 HH11 ARG A 11 59.752 -8.865 1.544 1.00 1.00 H new ATOM 0 HH12 ARG A 11 61.407 -8.282 1.753 1.00 1.00 H new ATOM 0 HH21 ARG A 11 61.311 -6.242 -1.084 1.00 1.00 H new ATOM 0 HH22 ARG A 11 62.282 -6.810 0.278 1.00 1.00 H new ATOM 174 N SER A 12 55.891 -3.535 2.301 1.00 1.00 N ATOM 175 CA SER A 12 56.567 -2.451 3.067 1.00 1.00 C ATOM 176 C SER A 12 55.521 -1.435 3.531 1.00 1.00 C ATOM 177 O SER A 12 54.699 -1.720 4.379 1.00 1.00 O ATOM 178 CB SER A 12 57.593 -1.756 2.172 1.00 1.00 C ATOM 179 OG SER A 12 56.917 -1.090 1.114 1.00 1.00 O ATOM 0 H SER A 12 54.963 -3.301 1.947 1.00 1.00 H new ATOM 0 HA SER A 12 57.074 -2.876 3.933 1.00 1.00 H new ATOM 0 HB2 SER A 12 58.176 -1.042 2.754 1.00 1.00 H new ATOM 0 HB3 SER A 12 58.295 -2.486 1.768 1.00 1.00 H new ATOM 0 HG SER A 12 57.379 -0.251 0.908 1.00 1.00 H new ATOM 185 N ALA A 13 55.541 -0.253 2.979 1.00 1.00 N ATOM 186 CA ALA A 13 54.545 0.778 3.386 1.00 1.00 C ATOM 187 C ALA A 13 54.490 0.866 4.912 1.00 1.00 C ATOM 188 O ALA A 13 53.800 0.105 5.562 1.00 1.00 O ATOM 189 CB ALA A 13 53.166 0.392 2.848 1.00 1.00 C ATOM 0 H ALA A 13 56.204 0.044 2.263 1.00 1.00 H new ATOM 0 HA ALA A 13 54.839 1.746 2.979 1.00 1.00 H new ATOM 0 HB1 ALA A 13 52.436 1.145 3.145 1.00 1.00 H new ATOM 0 HB2 ALA A 13 53.204 0.332 1.760 1.00 1.00 H new ATOM 0 HB3 ALA A 13 52.875 -0.576 3.255 1.00 1.00 H new ATOM 195 N THR A 14 55.210 1.793 5.489 1.00 1.00 N ATOM 196 CA THR A 14 55.203 1.940 6.975 1.00 1.00 C ATOM 197 C THR A 14 54.914 3.398 7.336 1.00 1.00 C ATOM 198 O THR A 14 54.027 3.691 8.114 1.00 1.00 O ATOM 199 CB THR A 14 56.571 1.539 7.532 1.00 1.00 C ATOM 200 OG1 THR A 14 57.581 2.322 6.911 1.00 1.00 O ATOM 201 CG2 THR A 14 56.825 0.057 7.250 1.00 1.00 C ATOM 0 H THR A 14 55.805 2.457 4.993 1.00 1.00 H new ATOM 0 HA THR A 14 54.434 1.297 7.403 1.00 1.00 H new ATOM 0 HB THR A 14 56.590 1.709 8.608 1.00 1.00 H new ATOM 0 HG1 THR A 14 58.458 2.068 7.268 1.00 1.00 H new ATOM 0 HG21 THR A 14 57.799 -0.227 7.647 1.00 1.00 H new ATOM 0 HG22 THR A 14 56.050 -0.542 7.727 1.00 1.00 H new ATOM 0 HG23 THR A 14 56.807 -0.117 6.174 1.00 1.00 H new ATOM 209 N ARG A 15 55.653 4.316 6.775 1.00 1.00 N ATOM 210 CA ARG A 15 55.418 5.755 7.084 1.00 1.00 C ATOM 211 C ARG A 15 55.992 6.615 5.955 1.00 1.00 C ATOM 212 O ARG A 15 56.123 7.816 6.081 1.00 1.00 O ATOM 213 CB ARG A 15 56.105 6.115 8.406 1.00 1.00 C ATOM 214 CG ARG A 15 55.441 7.356 9.006 1.00 1.00 C ATOM 215 CD ARG A 15 56.385 7.998 10.024 1.00 1.00 C ATOM 216 NE ARG A 15 56.604 7.060 11.160 1.00 1.00 N ATOM 217 CZ ARG A 15 57.007 7.515 12.315 1.00 1.00 C ATOM 218 NH1 ARG A 15 57.219 8.793 12.474 1.00 1.00 N ATOM 219 NH2 ARG A 15 57.199 6.693 13.310 1.00 1.00 N ATOM 0 H ARG A 15 56.409 4.132 6.116 1.00 1.00 H new ATOM 0 HA ARG A 15 54.347 5.939 7.174 1.00 1.00 H new ATOM 0 HB2 ARG A 15 56.036 5.280 9.103 1.00 1.00 H new ATOM 0 HB3 ARG A 15 57.165 6.303 8.238 1.00 1.00 H new ATOM 0 HG2 ARG A 15 55.199 8.069 8.218 1.00 1.00 H new ATOM 0 HG3 ARG A 15 54.502 7.082 9.487 1.00 1.00 H new ATOM 0 HD2 ARG A 15 57.336 8.241 9.551 1.00 1.00 H new ATOM 0 HD3 ARG A 15 55.962 8.934 10.388 1.00 1.00 H new ATOM 0 HE ARG A 15 56.439 6.061 11.035 1.00 1.00 H new ATOM 0 HH11 ARG A 15 57.070 9.435 11.696 1.00 1.00 H new ATOM 0 HH12 ARG A 15 57.534 9.149 13.376 1.00 1.00 H new ATOM 0 HH21 ARG A 15 57.034 5.694 13.185 1.00 1.00 H new ATOM 0 HH22 ARG A 15 57.514 7.049 14.212 1.00 1.00 H new ATOM 233 N VAL A 16 56.336 6.008 4.852 1.00 1.00 N ATOM 234 CA VAL A 16 56.901 6.788 3.715 1.00 1.00 C ATOM 235 C VAL A 16 58.157 7.529 4.176 1.00 1.00 C ATOM 236 O VAL A 16 58.202 8.743 4.193 1.00 1.00 O ATOM 237 CB VAL A 16 55.862 7.799 3.223 1.00 1.00 C ATOM 238 CG1 VAL A 16 56.264 8.313 1.839 1.00 1.00 C ATOM 239 CG2 VAL A 16 54.493 7.120 3.136 1.00 1.00 C ATOM 0 H VAL A 16 56.250 5.005 4.689 1.00 1.00 H new ATOM 0 HA VAL A 16 57.160 6.109 2.903 1.00 1.00 H new ATOM 0 HB VAL A 16 55.811 8.635 3.920 1.00 1.00 H new ATOM 0 HG11 VAL A 16 55.524 9.033 1.489 1.00 1.00 H new ATOM 0 HG12 VAL A 16 57.239 8.796 1.899 1.00 1.00 H new ATOM 0 HG13 VAL A 16 56.315 7.477 1.141 1.00 1.00 H new ATOM 0 HG21 VAL A 16 53.752 7.839 2.786 1.00 1.00 H new ATOM 0 HG22 VAL A 16 54.545 6.284 2.439 1.00 1.00 H new ATOM 0 HG23 VAL A 16 54.205 6.753 4.121 1.00 1.00 H new ATOM 249 N MET A 17 59.179 6.808 4.549 1.00 1.00 N ATOM 250 CA MET A 17 60.432 7.472 5.006 1.00 1.00 C ATOM 251 C MET A 17 60.104 8.472 6.118 1.00 1.00 C ATOM 252 O MET A 17 58.995 8.524 6.611 1.00 1.00 O ATOM 253 CB MET A 17 61.077 8.209 3.828 1.00 1.00 C ATOM 254 CG MET A 17 60.995 7.338 2.573 1.00 1.00 C ATOM 255 SD MET A 17 61.796 8.192 1.193 1.00 1.00 S ATOM 256 CE MET A 17 60.350 9.125 0.633 1.00 1.00 C ATOM 0 H MET A 17 59.200 5.788 4.557 1.00 1.00 H new ATOM 0 HA MET A 17 61.124 6.721 5.387 1.00 1.00 H new ATOM 0 HB2 MET A 17 60.570 9.159 3.658 1.00 1.00 H new ATOM 0 HB3 MET A 17 62.118 8.440 4.056 1.00 1.00 H new ATOM 0 HG2 MET A 17 61.480 6.378 2.751 1.00 1.00 H new ATOM 0 HG3 MET A 17 59.953 7.129 2.330 1.00 1.00 H new ATOM 0 HE1 MET A 17 60.622 9.734 -0.229 1.00 1.00 H new ATOM 0 HE2 MET A 17 59.556 8.432 0.352 1.00 1.00 H new ATOM 0 HE3 MET A 17 60.000 9.771 1.438 1.00 1.00 H new ATOM 266 N GLY A 18 61.060 9.265 6.516 1.00 1.00 N ATOM 267 CA GLY A 18 60.801 10.260 7.596 1.00 1.00 C ATOM 268 C GLY A 18 60.780 9.550 8.951 1.00 1.00 C ATOM 269 O GLY A 18 61.259 8.442 9.089 1.00 1.00 O ATOM 0 H GLY A 18 62.009 9.268 6.141 1.00 1.00 H new ATOM 0 HA2 GLY A 18 61.573 11.029 7.589 1.00 1.00 H new ATOM 0 HA3 GLY A 18 59.849 10.762 7.422 1.00 1.00 H new ATOM 273 N GLY A 19 60.227 10.178 9.954 1.00 1.00 N ATOM 274 CA GLY A 19 60.174 9.537 11.300 1.00 1.00 C ATOM 275 C GLY A 19 61.396 9.961 12.117 1.00 1.00 C ATOM 276 O GLY A 19 62.110 10.874 11.752 1.00 1.00 O ATOM 0 H GLY A 19 59.810 11.107 9.899 1.00 1.00 H new ATOM 0 HA2 GLY A 19 59.259 9.828 11.817 1.00 1.00 H new ATOM 0 HA3 GLY A 19 60.151 8.452 11.197 1.00 1.00 H new ATOM 280 N PRO A 20 61.633 9.297 13.217 1.00 1.00 N ATOM 281 CA PRO A 20 62.788 9.601 14.111 1.00 1.00 C ATOM 282 C PRO A 20 64.100 9.739 13.333 1.00 1.00 C ATOM 283 O PRO A 20 65.097 10.200 13.853 1.00 1.00 O ATOM 284 CB PRO A 20 62.840 8.396 15.054 1.00 1.00 C ATOM 285 CG PRO A 20 61.442 7.876 15.098 1.00 1.00 C ATOM 286 CD PRO A 20 60.822 8.182 13.732 1.00 1.00 C ATOM 0 HA PRO A 20 62.665 10.552 14.630 1.00 1.00 H new ATOM 0 HB2 PRO A 20 63.531 7.638 14.687 1.00 1.00 H new ATOM 0 HB3 PRO A 20 63.184 8.687 16.047 1.00 1.00 H new ATOM 0 HG2 PRO A 20 61.433 6.804 15.297 1.00 1.00 H new ATOM 0 HG3 PRO A 20 60.875 8.354 15.897 1.00 1.00 H new ATOM 0 HD2 PRO A 20 60.866 7.317 13.070 1.00 1.00 H new ATOM 0 HD3 PRO A 20 59.772 8.460 13.823 1.00 1.00 H new ATOM 294 N CYS A 21 64.105 9.342 12.088 1.00 1.00 N ATOM 295 CA CYS A 21 65.348 9.450 11.272 1.00 1.00 C ATOM 296 C CYS A 21 65.294 10.727 10.430 1.00 1.00 C ATOM 297 O CYS A 21 64.242 11.153 9.999 1.00 1.00 O ATOM 298 CB CYS A 21 65.457 8.234 10.350 1.00 1.00 C ATOM 299 SG CYS A 21 65.944 6.784 11.318 1.00 1.00 S ATOM 0 H CYS A 21 63.300 8.947 11.601 1.00 1.00 H new ATOM 0 HA CYS A 21 66.216 9.486 11.931 1.00 1.00 H new ATOM 0 HB2 CYS A 21 64.502 8.051 9.857 1.00 1.00 H new ATOM 0 HB3 CYS A 21 66.190 8.424 9.566 1.00 1.00 H new ATOM 304 N THR A 22 66.423 11.342 10.193 1.00 1.00 N ATOM 305 CA THR A 22 66.438 12.592 9.379 1.00 1.00 C ATOM 306 C THR A 22 67.688 12.605 8.490 1.00 1.00 C ATOM 307 O THR A 22 68.756 12.987 8.924 1.00 1.00 O ATOM 308 CB THR A 22 66.474 13.802 10.316 1.00 1.00 C ATOM 309 OG1 THR A 22 67.030 14.914 9.629 1.00 1.00 O ATOM 310 CG2 THR A 22 67.330 13.476 11.541 1.00 1.00 C ATOM 0 H THR A 22 67.335 11.032 10.528 1.00 1.00 H new ATOM 0 HA THR A 22 65.545 12.634 8.756 1.00 1.00 H new ATOM 0 HB THR A 22 65.461 14.043 10.638 1.00 1.00 H new ATOM 0 HG1 THR A 22 67.053 15.690 10.227 1.00 1.00 H new ATOM 0 HG21 THR A 22 67.355 14.338 12.207 1.00 1.00 H new ATOM 0 HG22 THR A 22 66.902 12.623 12.067 1.00 1.00 H new ATOM 0 HG23 THR A 22 68.344 13.234 11.222 1.00 1.00 H new ATOM 318 N PRO A 23 67.557 12.198 7.251 1.00 1.00 N ATOM 319 CA PRO A 23 68.701 12.173 6.291 1.00 1.00 C ATOM 320 C PRO A 23 69.381 13.542 6.168 1.00 1.00 C ATOM 321 O PRO A 23 68.792 14.566 6.453 1.00 1.00 O ATOM 322 CB PRO A 23 68.060 11.768 4.956 1.00 1.00 C ATOM 323 CG PRO A 23 66.780 11.090 5.319 1.00 1.00 C ATOM 324 CD PRO A 23 66.312 11.715 6.634 1.00 1.00 C ATOM 0 HA PRO A 23 69.485 11.489 6.616 1.00 1.00 H new ATOM 0 HB2 PRO A 23 67.878 12.640 4.327 1.00 1.00 H new ATOM 0 HB3 PRO A 23 68.712 11.100 4.394 1.00 1.00 H new ATOM 0 HG2 PRO A 23 66.033 11.228 4.537 1.00 1.00 H new ATOM 0 HG3 PRO A 23 66.929 10.016 5.432 1.00 1.00 H new ATOM 0 HD2 PRO A 23 65.608 12.529 6.462 1.00 1.00 H new ATOM 0 HD3 PRO A 23 65.808 10.985 7.267 1.00 1.00 H new ATOM 332 N ARG A 24 70.615 13.567 5.742 1.00 1.00 N ATOM 333 CA ARG A 24 71.328 14.868 5.599 1.00 1.00 C ATOM 334 C ARG A 24 72.559 14.679 4.710 1.00 1.00 C ATOM 335 O ARG A 24 73.512 15.429 4.783 1.00 1.00 O ATOM 336 CB ARG A 24 71.757 15.381 6.982 1.00 1.00 C ATOM 337 CG ARG A 24 72.753 14.404 7.611 1.00 1.00 C ATOM 338 CD ARG A 24 71.996 13.374 8.451 1.00 1.00 C ATOM 339 NE ARG A 24 72.961 12.389 9.016 1.00 1.00 N ATOM 340 CZ ARG A 24 73.549 11.527 8.231 1.00 1.00 C ATOM 341 NH1 ARG A 24 73.292 11.528 6.952 1.00 1.00 N ATOM 342 NH2 ARG A 24 74.394 10.665 8.726 1.00 1.00 N ATOM 0 H ARG A 24 71.160 12.743 5.487 1.00 1.00 H new ATOM 0 HA ARG A 24 70.661 15.598 5.141 1.00 1.00 H new ATOM 0 HB2 ARG A 24 72.211 16.368 6.889 1.00 1.00 H new ATOM 0 HB3 ARG A 24 70.885 15.490 7.626 1.00 1.00 H new ATOM 0 HG2 ARG A 24 73.328 13.902 6.832 1.00 1.00 H new ATOM 0 HG3 ARG A 24 73.465 14.945 8.234 1.00 1.00 H new ATOM 0 HD2 ARG A 24 71.455 13.872 9.256 1.00 1.00 H new ATOM 0 HD3 ARG A 24 71.255 12.862 7.837 1.00 1.00 H new ATOM 0 HE ARG A 24 73.162 12.388 10.016 1.00 1.00 H new ATOM 0 HH11 ARG A 24 72.632 12.202 6.565 1.00 1.00 H new ATOM 0 HH12 ARG A 24 73.751 10.855 6.339 1.00 1.00 H new ATOM 0 HH21 ARG A 24 74.595 10.665 9.726 1.00 1.00 H new ATOM 0 HH22 ARG A 24 74.853 9.992 8.113 1.00 1.00 H new ATOM 356 N LYS A 25 72.547 13.677 3.874 1.00 1.00 N ATOM 357 CA LYS A 25 73.718 13.435 2.984 1.00 1.00 C ATOM 358 C LYS A 25 73.786 14.538 1.923 1.00 1.00 C ATOM 359 O LYS A 25 72.785 15.121 1.555 1.00 1.00 O ATOM 360 CB LYS A 25 73.585 12.060 2.299 1.00 1.00 C ATOM 361 CG LYS A 25 72.334 11.348 2.817 1.00 1.00 C ATOM 362 CD LYS A 25 71.088 12.009 2.224 1.00 1.00 C ATOM 363 CE LYS A 25 70.645 11.237 0.979 1.00 1.00 C ATOM 364 NZ LYS A 25 71.841 10.873 0.168 1.00 1.00 N ATOM 0 H LYS A 25 71.778 13.016 3.769 1.00 1.00 H new ATOM 0 HA LYS A 25 74.631 13.445 3.579 1.00 1.00 H new ATOM 0 HB2 LYS A 25 73.523 12.185 1.218 1.00 1.00 H new ATOM 0 HB3 LYS A 25 74.469 11.455 2.500 1.00 1.00 H new ATOM 0 HG2 LYS A 25 72.364 10.293 2.544 1.00 1.00 H new ATOM 0 HG3 LYS A 25 72.300 11.395 3.905 1.00 1.00 H new ATOM 0 HD2 LYS A 25 70.285 12.023 2.961 1.00 1.00 H new ATOM 0 HD3 LYS A 25 71.302 13.046 1.965 1.00 1.00 H new ATOM 0 HE2 LYS A 25 70.102 10.338 1.270 1.00 1.00 H new ATOM 0 HE3 LYS A 25 69.961 11.844 0.386 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 71.609 10.944 -0.843 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 72.622 11.522 0.391 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 72.127 9.898 0.390 1.00 1.00 H new ATOM 378 N GLY A 26 74.960 14.828 1.432 1.00 1.00 N ATOM 379 CA GLY A 26 75.098 15.892 0.398 1.00 1.00 C ATOM 380 C GLY A 26 74.177 15.583 -0.786 1.00 1.00 C ATOM 381 O GLY A 26 73.289 14.759 -0.693 1.00 1.00 O ATOM 0 H GLY A 26 75.831 14.373 1.703 1.00 1.00 H new ATOM 0 HA2 GLY A 26 74.845 16.862 0.825 1.00 1.00 H new ATOM 0 HA3 GLY A 26 76.133 15.953 0.060 1.00 1.00 H new ATOM 385 N PRO A 27 74.389 16.247 -1.891 1.00 1.00 N ATOM 386 CA PRO A 27 73.566 16.052 -3.120 1.00 1.00 C ATOM 387 C PRO A 27 73.370 14.566 -3.464 1.00 1.00 C ATOM 388 O PRO A 27 74.279 13.771 -3.330 1.00 1.00 O ATOM 389 CB PRO A 27 74.380 16.754 -4.210 1.00 1.00 C ATOM 390 CG PRO A 27 75.163 17.804 -3.495 1.00 1.00 C ATOM 391 CD PRO A 27 75.437 17.261 -2.090 1.00 1.00 C ATOM 0 HA PRO A 27 72.558 16.450 -3.002 1.00 1.00 H new ATOM 0 HB2 PRO A 27 75.038 16.053 -4.724 1.00 1.00 H new ATOM 0 HB3 PRO A 27 73.730 17.194 -4.966 1.00 1.00 H new ATOM 0 HG2 PRO A 27 76.096 18.016 -4.018 1.00 1.00 H new ATOM 0 HG3 PRO A 27 74.605 18.739 -3.447 1.00 1.00 H new ATOM 0 HD2 PRO A 27 76.433 16.825 -2.018 1.00 1.00 H new ATOM 0 HD3 PRO A 27 75.378 18.049 -1.339 1.00 1.00 H new ATOM 399 N PRO A 28 72.194 14.193 -3.909 1.00 1.00 N ATOM 400 CA PRO A 28 71.883 12.784 -4.281 1.00 1.00 C ATOM 401 C PRO A 28 73.035 12.105 -5.030 1.00 1.00 C ATOM 402 O PRO A 28 73.951 12.751 -5.497 1.00 1.00 O ATOM 403 CB PRO A 28 70.660 12.919 -5.188 1.00 1.00 C ATOM 404 CG PRO A 28 69.963 14.154 -4.717 1.00 1.00 C ATOM 405 CD PRO A 28 71.031 15.073 -4.110 1.00 1.00 C ATOM 0 HA PRO A 28 71.714 12.161 -3.403 1.00 1.00 H new ATOM 0 HB2 PRO A 28 70.952 13.006 -6.234 1.00 1.00 H new ATOM 0 HB3 PRO A 28 70.012 12.046 -5.109 1.00 1.00 H new ATOM 0 HG2 PRO A 28 69.455 14.649 -5.545 1.00 1.00 H new ATOM 0 HG3 PRO A 28 69.201 13.908 -3.977 1.00 1.00 H new ATOM 0 HD2 PRO A 28 71.269 15.901 -4.777 1.00 1.00 H new ATOM 0 HD3 PRO A 28 70.694 15.508 -3.169 1.00 1.00 H new ATOM 413 N LYS A 29 72.988 10.805 -5.146 1.00 1.00 N ATOM 414 CA LYS A 29 74.068 10.069 -5.866 1.00 1.00 C ATOM 415 C LYS A 29 75.405 10.283 -5.154 1.00 1.00 C ATOM 416 O LYS A 29 75.453 10.666 -4.002 1.00 1.00 O ATOM 417 CB LYS A 29 74.166 10.574 -7.308 1.00 1.00 C ATOM 418 CG LYS A 29 72.767 10.631 -7.926 1.00 1.00 C ATOM 419 CD LYS A 29 72.878 10.999 -9.407 1.00 1.00 C ATOM 420 CE LYS A 29 73.449 12.412 -9.541 1.00 1.00 C ATOM 421 NZ LYS A 29 73.041 12.990 -10.852 1.00 1.00 N ATOM 0 H LYS A 29 72.243 10.218 -4.771 1.00 1.00 H new ATOM 0 HA LYS A 29 73.831 9.005 -5.873 1.00 1.00 H new ATOM 0 HB2 LYS A 29 74.624 11.563 -7.328 1.00 1.00 H new ATOM 0 HB3 LYS A 29 74.807 9.914 -7.893 1.00 1.00 H new ATOM 0 HG2 LYS A 29 72.270 9.667 -7.816 1.00 1.00 H new ATOM 0 HG3 LYS A 29 72.156 11.366 -7.402 1.00 1.00 H new ATOM 0 HD2 LYS A 29 73.521 10.285 -9.923 1.00 1.00 H new ATOM 0 HD3 LYS A 29 71.898 10.945 -9.880 1.00 1.00 H new ATOM 0 HE2 LYS A 29 73.088 13.040 -8.726 1.00 1.00 H new ATOM 0 HE3 LYS A 29 74.536 12.385 -9.466 1.00 1.00 H new ATOM 0 HZ1 LYS A 29 73.429 13.951 -10.944 1.00 1.00 H new ATOM 0 HZ2 LYS A 29 73.406 12.394 -11.623 1.00 1.00 H new ATOM 0 HZ3 LYS A 29 72.003 13.029 -10.906 1.00 1.00 H new ATOM 435 N CYS A 30 76.491 10.034 -5.833 1.00 1.00 N ATOM 436 CA CYS A 30 77.826 10.215 -5.197 1.00 1.00 C ATOM 437 C CYS A 30 77.972 11.661 -4.717 1.00 1.00 C ATOM 438 O CYS A 30 78.266 12.554 -5.486 1.00 1.00 O ATOM 439 CB CYS A 30 78.923 9.903 -6.218 1.00 1.00 C ATOM 440 SG CYS A 30 79.089 8.109 -6.393 1.00 1.00 S ATOM 0 H CYS A 30 76.511 9.713 -6.801 1.00 1.00 H new ATOM 0 HA CYS A 30 77.918 9.540 -4.346 1.00 1.00 H new ATOM 0 HB2 CYS A 30 78.678 10.352 -7.180 1.00 1.00 H new ATOM 0 HB3 CYS A 30 79.869 10.337 -5.896 1.00 1.00 H new ATOM 445 N LYS A 31 77.770 11.897 -3.449 1.00 1.00 N ATOM 446 CA LYS A 31 77.899 13.283 -2.921 1.00 1.00 C ATOM 447 C LYS A 31 79.350 13.746 -3.065 1.00 1.00 C ATOM 448 O LYS A 31 79.846 13.931 -4.159 1.00 1.00 O ATOM 449 CB LYS A 31 77.500 13.306 -1.442 1.00 1.00 C ATOM 450 CG LYS A 31 78.120 12.106 -0.724 1.00 1.00 C ATOM 451 CD LYS A 31 78.394 12.469 0.737 1.00 1.00 C ATOM 452 CE LYS A 31 78.812 11.215 1.506 1.00 1.00 C ATOM 453 NZ LYS A 31 77.620 10.621 2.175 1.00 1.00 N ATOM 0 H LYS A 31 77.521 11.190 -2.757 1.00 1.00 H new ATOM 0 HA LYS A 31 77.245 13.950 -3.483 1.00 1.00 H new ATOM 0 HB2 LYS A 31 77.837 14.233 -0.979 1.00 1.00 H new ATOM 0 HB3 LYS A 31 76.414 13.278 -1.347 1.00 1.00 H new ATOM 0 HG2 LYS A 31 77.447 11.250 -0.777 1.00 1.00 H new ATOM 0 HG3 LYS A 31 79.047 11.813 -1.217 1.00 1.00 H new ATOM 0 HD2 LYS A 31 79.180 13.222 0.794 1.00 1.00 H new ATOM 0 HD3 LYS A 31 77.502 12.904 1.188 1.00 1.00 H new ATOM 0 HE2 LYS A 31 79.259 10.490 0.825 1.00 1.00 H new ATOM 0 HE3 LYS A 31 79.571 11.466 2.247 1.00 1.00 H new ATOM 0 HZ1 LYS A 31 77.885 10.286 3.123 1.00 1.00 H new ATOM 0 HZ2 LYS A 31 76.874 11.341 2.258 1.00 1.00 H new ATOM 0 HZ3 LYS A 31 77.268 9.821 1.611 1.00 1.00 H new ATOM 467 N GLN A 32 80.034 13.929 -1.966 1.00 1.00 N ATOM 468 CA GLN A 32 81.458 14.376 -2.025 1.00 1.00 C ATOM 469 C GLN A 32 82.344 13.315 -1.368 1.00 1.00 C ATOM 470 O GLN A 32 83.554 13.401 -1.401 1.00 1.00 O ATOM 471 CB GLN A 32 81.603 15.704 -1.275 1.00 1.00 C ATOM 472 CG GLN A 32 82.878 16.414 -1.734 1.00 1.00 C ATOM 473 CD GLN A 32 83.224 17.531 -0.747 1.00 1.00 C ATOM 474 OE1 GLN A 32 82.402 18.376 -0.456 1.00 1.00 O ATOM 475 NE2 GLN A 32 84.416 17.570 -0.216 1.00 1.00 N ATOM 0 H GLN A 32 79.666 13.787 -1.025 1.00 1.00 H new ATOM 0 HA GLN A 32 81.761 14.512 -3.063 1.00 1.00 H new ATOM 0 HB2 GLN A 32 80.735 16.336 -1.462 1.00 1.00 H new ATOM 0 HB3 GLN A 32 81.641 15.525 -0.201 1.00 1.00 H new ATOM 0 HG2 GLN A 32 83.701 15.702 -1.797 1.00 1.00 H new ATOM 0 HG3 GLN A 32 82.737 16.827 -2.733 1.00 1.00 H new ATOM 0 HE21 GLN A 32 85.107 16.860 -0.460 1.00 1.00 H new ATOM 0 HE22 GLN A 32 84.657 18.310 0.443 1.00 1.00 H new ATOM 484 N ARG A 33 81.738 12.316 -0.773 1.00 1.00 N ATOM 485 CA ARG A 33 82.514 11.227 -0.102 1.00 1.00 C ATOM 486 C ARG A 33 83.855 11.763 0.411 1.00 1.00 C ATOM 487 O ARG A 33 83.954 12.889 0.855 1.00 1.00 O ATOM 488 CB ARG A 33 82.750 10.074 -1.089 1.00 1.00 C ATOM 489 CG ARG A 33 83.427 10.607 -2.353 1.00 1.00 C ATOM 490 CD ARG A 33 82.368 11.178 -3.298 1.00 1.00 C ATOM 491 NE ARG A 33 82.199 10.265 -4.464 1.00 1.00 N ATOM 492 CZ ARG A 33 83.073 10.276 -5.433 1.00 1.00 C ATOM 493 NH1 ARG A 33 84.095 11.085 -5.380 1.00 1.00 N ATOM 494 NH2 ARG A 33 82.925 9.476 -6.454 1.00 1.00 N ATOM 0 H ARG A 33 80.725 12.208 -0.724 1.00 1.00 H new ATOM 0 HA ARG A 33 81.940 10.859 0.749 1.00 1.00 H new ATOM 0 HB2 ARG A 33 83.373 9.308 -0.626 1.00 1.00 H new ATOM 0 HB3 ARG A 33 81.802 9.602 -1.345 1.00 1.00 H new ATOM 0 HG2 ARG A 33 84.151 11.379 -2.092 1.00 1.00 H new ATOM 0 HG3 ARG A 33 83.978 9.807 -2.848 1.00 1.00 H new ATOM 0 HD2 ARG A 33 81.420 11.293 -2.772 1.00 1.00 H new ATOM 0 HD3 ARG A 33 82.666 12.169 -3.639 1.00 1.00 H new ATOM 0 HE ARG A 33 81.400 9.632 -4.505 1.00 1.00 H new ATOM 0 HH11 ARG A 33 84.211 11.709 -4.581 1.00 1.00 H new ATOM 0 HH12 ARG A 33 84.778 11.094 -6.137 1.00 1.00 H new ATOM 0 HH21 ARG A 33 82.126 8.843 -6.494 1.00 1.00 H new ATOM 0 HH22 ARG A 33 83.608 9.484 -7.212 1.00 1.00 H new ATOM 508 N GLN A 34 84.888 10.965 0.357 1.00 1.00 N ATOM 509 CA GLN A 34 86.215 11.435 0.845 1.00 1.00 C ATOM 510 C GLN A 34 86.095 11.857 2.312 1.00 1.00 C ATOM 511 O GLN A 34 86.763 12.765 2.764 1.00 1.00 O ATOM 512 CB GLN A 34 86.675 12.627 0.001 1.00 1.00 C ATOM 513 CG GLN A 34 88.191 12.788 0.128 1.00 1.00 C ATOM 514 CD GLN A 34 88.650 13.980 -0.714 1.00 1.00 C ATOM 515 OE1 GLN A 34 89.550 13.858 -1.521 1.00 1.00 O ATOM 516 NE2 GLN A 34 88.066 15.137 -0.558 1.00 1.00 N ATOM 0 H GLN A 34 84.870 10.011 -0.003 1.00 1.00 H new ATOM 0 HA GLN A 34 86.944 10.629 0.758 1.00 1.00 H new ATOM 0 HB2 GLN A 34 86.401 12.474 -1.043 1.00 1.00 H new ATOM 0 HB3 GLN A 34 86.173 13.536 0.332 1.00 1.00 H new ATOM 0 HG2 GLN A 34 88.465 12.940 1.172 1.00 1.00 H new ATOM 0 HG3 GLN A 34 88.693 11.879 -0.205 1.00 1.00 H new ATOM 0 HE21 GLN A 34 87.310 15.240 0.119 1.00 1.00 H new ATOM 0 HE22 GLN A 34 88.365 15.938 -1.114 1.00 1.00 H new ATOM 525 N THR A 35 85.246 11.204 3.059 1.00 1.00 N ATOM 526 CA THR A 35 85.084 11.567 4.494 1.00 1.00 C ATOM 527 C THR A 35 86.426 11.416 5.212 1.00 1.00 C ATOM 528 O THR A 35 87.041 12.386 5.610 1.00 1.00 O ATOM 529 CB THR A 35 84.050 10.641 5.141 1.00 1.00 C ATOM 530 OG1 THR A 35 82.939 10.492 4.268 1.00 1.00 O ATOM 531 CG2 THR A 35 83.582 11.243 6.467 1.00 1.00 C ATOM 0 H THR A 35 84.658 10.435 2.737 1.00 1.00 H new ATOM 0 HA THR A 35 84.745 12.600 4.572 1.00 1.00 H new ATOM 0 HB THR A 35 84.500 9.666 5.327 1.00 1.00 H new ATOM 0 HG1 THR A 35 82.277 9.898 4.680 1.00 1.00 H new ATOM 0 HG21 THR A 35 82.846 10.583 6.927 1.00 1.00 H new ATOM 0 HG22 THR A 35 84.435 11.357 7.136 1.00 1.00 H new ATOM 0 HG23 THR A 35 83.131 12.218 6.285 1.00 1.00 H new ATOM 539 N ARG A 36 86.886 10.207 5.381 1.00 1.00 N ATOM 540 CA ARG A 36 88.190 9.995 6.071 1.00 1.00 C ATOM 541 C ARG A 36 88.581 8.519 5.982 1.00 1.00 C ATOM 542 O ARG A 36 88.931 7.899 6.967 1.00 1.00 O ATOM 543 CB ARG A 36 88.062 10.405 7.540 1.00 1.00 C ATOM 544 CG ARG A 36 86.867 9.687 8.169 1.00 1.00 C ATOM 545 CD ARG A 36 86.746 10.089 9.641 1.00 1.00 C ATOM 546 NE ARG A 36 85.964 9.055 10.375 1.00 1.00 N ATOM 547 CZ ARG A 36 86.531 7.932 10.722 1.00 1.00 C ATOM 548 NH1 ARG A 36 87.783 7.714 10.424 1.00 1.00 N ATOM 549 NH2 ARG A 36 85.846 7.026 11.365 1.00 1.00 N ATOM 0 H ARG A 36 86.415 9.357 5.071 1.00 1.00 H new ATOM 0 HA ARG A 36 88.958 10.602 5.591 1.00 1.00 H new ATOM 0 HB2 ARG A 36 88.975 10.154 8.079 1.00 1.00 H new ATOM 0 HB3 ARG A 36 87.933 11.485 7.617 1.00 1.00 H new ATOM 0 HG2 ARG A 36 85.952 9.944 7.635 1.00 1.00 H new ATOM 0 HG3 ARG A 36 86.993 8.608 8.085 1.00 1.00 H new ATOM 0 HD2 ARG A 36 87.737 10.193 10.083 1.00 1.00 H new ATOM 0 HD3 ARG A 36 86.256 11.059 9.725 1.00 1.00 H new ATOM 0 HE ARG A 36 84.985 9.225 10.606 1.00 1.00 H new ATOM 0 HH11 ARG A 36 88.318 8.421 9.920 1.00 1.00 H new ATOM 0 HH12 ARG A 36 88.226 6.836 10.695 1.00 1.00 H new ATOM 0 HH21 ARG A 36 84.867 7.196 11.596 1.00 1.00 H new ATOM 0 HH22 ARG A 36 86.289 6.148 11.636 1.00 1.00 H new ATOM 563 N GLN A 37 88.527 7.952 4.807 1.00 1.00 N ATOM 564 CA GLN A 37 88.898 6.517 4.648 1.00 1.00 C ATOM 565 C GLN A 37 87.978 5.649 5.510 1.00 1.00 C ATOM 566 O GLN A 37 87.503 6.067 6.547 1.00 1.00 O ATOM 567 CB GLN A 37 90.353 6.313 5.082 1.00 1.00 C ATOM 568 CG GLN A 37 91.213 7.456 4.539 1.00 1.00 C ATOM 569 CD GLN A 37 92.692 7.081 4.651 1.00 1.00 C ATOM 570 OE1 GLN A 37 93.027 5.970 5.247 1.00 1.00 O flip ATOM 571 NE2 GLN A 37 93.551 7.807 4.192 1.00 1.00 N flip ATOM 0 H GLN A 37 88.241 8.422 3.948 1.00 1.00 H new ATOM 0 HA GLN A 37 88.789 6.229 3.602 1.00 1.00 H new ATOM 0 HB2 GLN A 37 90.418 6.280 6.170 1.00 1.00 H new ATOM 0 HB3 GLN A 37 90.724 5.357 4.711 1.00 1.00 H new ATOM 0 HG2 GLN A 37 90.956 7.656 3.499 1.00 1.00 H new ATOM 0 HG3 GLN A 37 91.016 8.371 5.098 1.00 1.00 H new ATOM 0 HE21 GLN A 37 93.289 8.676 3.726 1.00 1.00 H new ATOM 0 HE22 GLN A 37 94.534 7.548 4.273 1.00 1.00 H new ATOM 580 N CYS A 38 87.721 4.441 5.085 1.00 1.00 N ATOM 581 CA CYS A 38 86.830 3.545 5.875 1.00 1.00 C ATOM 582 C CYS A 38 87.339 3.467 7.318 1.00 1.00 C ATOM 583 O CYS A 38 86.676 3.890 8.244 1.00 1.00 O ATOM 584 CB CYS A 38 86.830 2.146 5.248 1.00 1.00 C ATOM 585 SG CYS A 38 85.132 1.526 5.158 1.00 1.00 S ATOM 0 H CYS A 38 88.090 4.036 4.224 1.00 1.00 H new ATOM 0 HA CYS A 38 85.814 3.941 5.872 1.00 1.00 H new ATOM 0 HB2 CYS A 38 87.269 2.183 4.251 1.00 1.00 H new ATOM 0 HB3 CYS A 38 87.445 1.470 5.842 1.00 1.00 H new ATOM 590 N LYS A 39 88.514 2.934 7.513 1.00 1.00 N ATOM 591 CA LYS A 39 89.073 2.830 8.891 1.00 1.00 C ATOM 592 C LYS A 39 90.434 2.136 8.828 1.00 1.00 C ATOM 593 O LYS A 39 90.603 1.034 9.311 1.00 1.00 O ATOM 594 CB LYS A 39 88.123 2.011 9.772 1.00 1.00 C ATOM 595 CG LYS A 39 87.565 0.834 8.970 1.00 1.00 C ATOM 596 CD LYS A 39 87.320 -0.352 9.906 1.00 1.00 C ATOM 597 CE LYS A 39 86.749 -1.525 9.106 1.00 1.00 C ATOM 598 NZ LYS A 39 86.681 -2.732 9.976 1.00 1.00 N ATOM 0 H LYS A 39 89.113 2.565 6.775 1.00 1.00 H new ATOM 0 HA LYS A 39 89.187 3.827 9.315 1.00 1.00 H new ATOM 0 HB2 LYS A 39 88.652 1.646 10.653 1.00 1.00 H new ATOM 0 HB3 LYS A 39 87.308 2.641 10.128 1.00 1.00 H new ATOM 0 HG2 LYS A 39 86.635 1.122 8.480 1.00 1.00 H new ATOM 0 HG3 LYS A 39 88.265 0.552 8.184 1.00 1.00 H new ATOM 0 HD2 LYS A 39 88.252 -0.647 10.388 1.00 1.00 H new ATOM 0 HD3 LYS A 39 86.627 -0.067 10.698 1.00 1.00 H new ATOM 0 HE2 LYS A 39 85.756 -1.276 8.733 1.00 1.00 H new ATOM 0 HE3 LYS A 39 87.375 -1.725 8.236 1.00 1.00 H new ATOM 0 HZ1 LYS A 39 86.293 -3.530 9.433 1.00 1.00 H new ATOM 0 HZ2 LYS A 39 87.636 -2.973 10.311 1.00 1.00 H new ATOM 0 HZ3 LYS A 39 86.067 -2.537 10.792 1.00 1.00 H new ATOM 612 N SER A 40 91.404 2.768 8.228 1.00 1.00 N ATOM 613 CA SER A 40 92.751 2.140 8.126 1.00 1.00 C ATOM 614 C SER A 40 92.613 0.775 7.451 1.00 1.00 C ATOM 615 O SER A 40 92.941 -0.245 8.022 1.00 1.00 O ATOM 616 CB SER A 40 93.341 1.963 9.526 1.00 1.00 C ATOM 617 OG SER A 40 94.732 1.694 9.418 1.00 1.00 O ATOM 0 H SER A 40 91.322 3.692 7.804 1.00 1.00 H new ATOM 0 HA SER A 40 93.412 2.777 7.538 1.00 1.00 H new ATOM 0 HB2 SER A 40 93.178 2.863 10.119 1.00 1.00 H new ATOM 0 HB3 SER A 40 92.840 1.145 10.044 1.00 1.00 H new ATOM 0 HG SER A 40 95.114 1.581 10.313 1.00 1.00 H new ATOM 623 N LYS A 41 92.123 0.755 6.238 1.00 1.00 N ATOM 624 CA LYS A 41 91.948 -0.534 5.506 1.00 1.00 C ATOM 625 C LYS A 41 93.121 -1.477 5.810 1.00 1.00 C ATOM 626 O LYS A 41 94.195 -1.331 5.260 1.00 1.00 O ATOM 627 CB LYS A 41 91.901 -0.248 4.001 1.00 1.00 C ATOM 628 CG LYS A 41 92.776 0.967 3.685 1.00 1.00 C ATOM 629 CD LYS A 41 92.908 1.121 2.169 1.00 1.00 C ATOM 630 CE LYS A 41 93.960 2.186 1.854 1.00 1.00 C ATOM 631 NZ LYS A 41 95.248 1.821 2.508 1.00 1.00 N ATOM 0 H LYS A 41 91.834 1.585 5.719 1.00 1.00 H new ATOM 0 HA LYS A 41 91.021 -1.009 5.826 1.00 1.00 H new ATOM 0 HB2 LYS A 41 92.252 -1.117 3.444 1.00 1.00 H new ATOM 0 HB3 LYS A 41 90.874 -0.061 3.687 1.00 1.00 H new ATOM 0 HG2 LYS A 41 92.336 1.867 4.116 1.00 1.00 H new ATOM 0 HG3 LYS A 41 93.761 0.846 4.136 1.00 1.00 H new ATOM 0 HD2 LYS A 41 93.192 0.170 1.720 1.00 1.00 H new ATOM 0 HD3 LYS A 41 91.948 1.404 1.737 1.00 1.00 H new ATOM 0 HE2 LYS A 41 94.098 2.268 0.776 1.00 1.00 H new ATOM 0 HE3 LYS A 41 93.624 3.161 2.208 1.00 1.00 H new ATOM 0 HZ1 LYS A 41 96.038 2.051 1.872 1.00 1.00 H new ATOM 0 HZ2 LYS A 41 95.351 2.355 3.394 1.00 1.00 H new ATOM 0 HZ3 LYS A 41 95.256 0.802 2.715 1.00 1.00 H new ATOM 645 N PRO A 42 92.922 -2.440 6.679 1.00 1.00 N ATOM 646 CA PRO A 42 93.981 -3.414 7.052 1.00 1.00 C ATOM 647 C PRO A 42 94.040 -4.597 6.078 1.00 1.00 C ATOM 648 O PRO A 42 93.096 -4.865 5.363 1.00 1.00 O ATOM 649 CB PRO A 42 93.544 -3.879 8.440 1.00 1.00 C ATOM 650 CG PRO A 42 92.051 -3.790 8.424 1.00 1.00 C ATOM 651 CD PRO A 42 91.671 -2.705 7.407 1.00 1.00 C ATOM 0 HA PRO A 42 94.979 -2.977 7.029 1.00 1.00 H new ATOM 0 HB2 PRO A 42 93.877 -4.898 8.638 1.00 1.00 H new ATOM 0 HB3 PRO A 42 93.969 -3.247 9.220 1.00 1.00 H new ATOM 0 HG2 PRO A 42 91.612 -4.748 8.146 1.00 1.00 H new ATOM 0 HG3 PRO A 42 91.670 -3.539 9.414 1.00 1.00 H new ATOM 0 HD2 PRO A 42 90.884 -3.047 6.735 1.00 1.00 H new ATOM 0 HD3 PRO A 42 91.300 -1.807 7.902 1.00 1.00 H new ATOM 659 N PRO A 43 95.141 -5.301 6.055 1.00 1.00 N ATOM 660 CA PRO A 43 95.320 -6.479 5.156 1.00 1.00 C ATOM 661 C PRO A 43 94.359 -7.618 5.511 1.00 1.00 C ATOM 662 O PRO A 43 94.337 -8.098 6.627 1.00 1.00 O ATOM 663 CB PRO A 43 96.778 -6.905 5.384 1.00 1.00 C ATOM 664 CG PRO A 43 97.160 -6.329 6.707 1.00 1.00 C ATOM 665 CD PRO A 43 96.331 -5.056 6.884 1.00 1.00 C ATOM 0 HA PRO A 43 95.106 -6.234 4.116 1.00 1.00 H new ATOM 0 HB2 PRO A 43 96.874 -7.991 5.386 1.00 1.00 H new ATOM 0 HB3 PRO A 43 97.425 -6.530 4.591 1.00 1.00 H new ATOM 0 HG2 PRO A 43 96.959 -7.037 7.511 1.00 1.00 H new ATOM 0 HG3 PRO A 43 98.226 -6.105 6.739 1.00 1.00 H new ATOM 0 HD2 PRO A 43 96.065 -4.892 7.928 1.00 1.00 H new ATOM 0 HD3 PRO A 43 96.876 -4.173 6.552 1.00 1.00 H new ATOM 673 N LYS A 44 93.562 -8.050 4.573 1.00 1.00 N ATOM 674 CA LYS A 44 92.602 -9.152 4.862 1.00 1.00 C ATOM 675 C LYS A 44 92.086 -9.740 3.546 1.00 1.00 C ATOM 676 O LYS A 44 91.349 -9.104 2.819 1.00 1.00 O ATOM 677 CB LYS A 44 91.426 -8.600 5.675 1.00 1.00 C ATOM 678 CG LYS A 44 90.737 -9.742 6.424 1.00 1.00 C ATOM 679 CD LYS A 44 91.456 -9.991 7.751 1.00 1.00 C ATOM 680 CE LYS A 44 90.793 -9.163 8.854 1.00 1.00 C ATOM 681 NZ LYS A 44 90.444 -7.816 8.323 1.00 1.00 N ATOM 0 H LYS A 44 93.534 -7.688 3.620 1.00 1.00 H new ATOM 0 HA LYS A 44 93.104 -9.933 5.433 1.00 1.00 H new ATOM 0 HB2 LYS A 44 91.780 -7.850 6.382 1.00 1.00 H new ATOM 0 HB3 LYS A 44 90.715 -8.104 5.014 1.00 1.00 H new ATOM 0 HG2 LYS A 44 89.692 -9.493 6.606 1.00 1.00 H new ATOM 0 HG3 LYS A 44 90.748 -10.647 5.817 1.00 1.00 H new ATOM 0 HD2 LYS A 44 91.418 -11.050 8.004 1.00 1.00 H new ATOM 0 HD3 LYS A 44 92.509 -9.722 7.663 1.00 1.00 H new ATOM 0 HE2 LYS A 44 89.896 -9.668 9.213 1.00 1.00 H new ATOM 0 HE3 LYS A 44 91.467 -9.067 9.706 1.00 1.00 H new ATOM 0 HZ1 LYS A 44 90.024 -7.242 9.082 1.00 1.00 H new ATOM 0 HZ2 LYS A 44 91.303 -7.349 7.970 1.00 1.00 H new ATOM 0 HZ3 LYS A 44 89.760 -7.916 7.546 1.00 1.00 H new ATOM 695 N LYS A 45 92.466 -10.949 3.235 1.00 1.00 N ATOM 696 CA LYS A 45 91.996 -11.576 1.967 1.00 1.00 C ATOM 697 C LYS A 45 92.172 -10.590 0.810 1.00 1.00 C ATOM 698 O LYS A 45 93.274 -10.322 0.373 1.00 1.00 O ATOM 699 CB LYS A 45 90.516 -11.947 2.100 1.00 1.00 C ATOM 700 CG LYS A 45 90.333 -12.904 3.280 1.00 1.00 C ATOM 701 CD LYS A 45 88.968 -13.586 3.177 1.00 1.00 C ATOM 702 CE LYS A 45 88.616 -14.229 4.520 1.00 1.00 C ATOM 703 NZ LYS A 45 88.155 -13.177 5.469 1.00 1.00 N ATOM 0 H LYS A 45 93.082 -11.530 3.804 1.00 1.00 H new ATOM 0 HA LYS A 45 92.581 -12.474 1.769 1.00 1.00 H new ATOM 0 HB2 LYS A 45 89.917 -11.049 2.250 1.00 1.00 H new ATOM 0 HB3 LYS A 45 90.163 -12.415 1.181 1.00 1.00 H new ATOM 0 HG2 LYS A 45 91.126 -13.652 3.282 1.00 1.00 H new ATOM 0 HG3 LYS A 45 90.408 -12.358 4.220 1.00 1.00 H new ATOM 0 HD2 LYS A 45 88.206 -12.858 2.900 1.00 1.00 H new ATOM 0 HD3 LYS A 45 88.986 -14.343 2.393 1.00 1.00 H new ATOM 0 HE2 LYS A 45 87.836 -14.978 4.383 1.00 1.00 H new ATOM 0 HE3 LYS A 45 89.485 -14.745 4.927 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 88.581 -13.342 6.404 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 88.443 -12.242 5.117 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 87.119 -13.212 5.549 1.00 1.00 H new ATOM 717 N GLY A 46 91.095 -10.049 0.309 1.00 1.00 N ATOM 718 CA GLY A 46 91.202 -9.082 -0.820 1.00 1.00 C ATOM 719 C GLY A 46 92.267 -8.032 -0.498 1.00 1.00 C ATOM 720 O GLY A 46 92.067 -7.165 0.330 1.00 1.00 O ATOM 0 H GLY A 46 90.146 -10.235 0.633 1.00 1.00 H new ATOM 0 HA2 GLY A 46 91.462 -9.608 -1.739 1.00 1.00 H new ATOM 0 HA3 GLY A 46 90.240 -8.598 -0.990 1.00 1.00 H new ATOM 724 N VAL A 47 93.397 -8.101 -1.146 1.00 1.00 N ATOM 725 CA VAL A 47 94.473 -7.106 -0.877 1.00 1.00 C ATOM 726 C VAL A 47 93.968 -5.705 -1.236 1.00 1.00 C ATOM 727 O VAL A 47 93.128 -5.541 -2.098 1.00 1.00 O ATOM 728 CB VAL A 47 95.705 -7.446 -1.722 1.00 1.00 C ATOM 729 CG1 VAL A 47 96.955 -6.858 -1.064 1.00 1.00 C ATOM 730 CG2 VAL A 47 95.850 -8.966 -1.822 1.00 1.00 C ATOM 0 H VAL A 47 93.622 -8.804 -1.850 1.00 1.00 H new ATOM 0 HA VAL A 47 94.744 -7.133 0.179 1.00 1.00 H new ATOM 0 HB VAL A 47 95.588 -7.024 -2.720 1.00 1.00 H new ATOM 0 HG11 VAL A 47 97.831 -7.100 -1.666 1.00 1.00 H new ATOM 0 HG12 VAL A 47 96.853 -5.775 -0.991 1.00 1.00 H new ATOM 0 HG13 VAL A 47 97.073 -7.279 -0.066 1.00 1.00 H new ATOM 0 HG21 VAL A 47 96.726 -9.209 -2.423 1.00 1.00 H new ATOM 0 HG22 VAL A 47 95.967 -9.387 -0.823 1.00 1.00 H new ATOM 0 HG23 VAL A 47 94.960 -9.386 -2.291 1.00 1.00 H new ATOM 740 N GLN A 48 94.469 -4.693 -0.578 1.00 1.00 N ATOM 741 CA GLN A 48 94.012 -3.305 -0.878 1.00 1.00 C ATOM 742 C GLN A 48 92.484 -3.280 -0.958 1.00 1.00 C ATOM 743 O GLN A 48 91.895 -2.350 -1.472 1.00 1.00 O ATOM 744 CB GLN A 48 94.595 -2.843 -2.219 1.00 1.00 C ATOM 745 CG GLN A 48 96.091 -2.563 -2.062 1.00 1.00 C ATOM 746 CD GLN A 48 96.879 -3.855 -2.284 1.00 1.00 C ATOM 747 OE1 GLN A 48 96.337 -4.838 -2.750 1.00 1.00 O ATOM 748 NE2 GLN A 48 98.144 -3.896 -1.969 1.00 1.00 N ATOM 0 H GLN A 48 95.175 -4.768 0.154 1.00 1.00 H new ATOM 0 HA GLN A 48 94.352 -2.637 -0.087 1.00 1.00 H new ATOM 0 HB2 GLN A 48 94.436 -3.608 -2.979 1.00 1.00 H new ATOM 0 HB3 GLN A 48 94.081 -1.944 -2.560 1.00 1.00 H new ATOM 0 HG2 GLN A 48 96.407 -1.805 -2.778 1.00 1.00 H new ATOM 0 HG3 GLN A 48 96.295 -2.167 -1.067 1.00 1.00 H new ATOM 0 HE21 GLN A 48 98.599 -3.071 -1.578 1.00 1.00 H new ATOM 0 HE22 GLN A 48 98.678 -4.753 -2.114 1.00 1.00 H new ATOM 757 N GLY A 49 91.837 -4.296 -0.456 1.00 1.00 N ATOM 758 CA GLY A 49 90.349 -4.328 -0.506 1.00 1.00 C ATOM 759 C GLY A 49 89.883 -4.079 -1.941 1.00 1.00 C ATOM 760 O GLY A 49 88.719 -3.838 -2.194 1.00 1.00 O ATOM 0 H GLY A 49 92.275 -5.104 -0.014 1.00 1.00 H new ATOM 0 HA2 GLY A 49 89.983 -5.293 -0.156 1.00 1.00 H new ATOM 0 HA3 GLY A 49 89.935 -3.570 0.159 1.00 1.00 H new ATOM 764 N CYS A 50 90.785 -4.132 -2.885 1.00 1.00 N ATOM 765 CA CYS A 50 90.394 -3.898 -4.304 1.00 1.00 C ATOM 766 C CYS A 50 89.623 -2.580 -4.409 1.00 1.00 C ATOM 767 O CYS A 50 89.094 -2.239 -5.449 1.00 1.00 O ATOM 768 CB CYS A 50 89.511 -5.053 -4.785 1.00 1.00 C ATOM 769 SG CYS A 50 88.895 -4.693 -6.448 1.00 1.00 S ATOM 0 H CYS A 50 91.775 -4.327 -2.734 1.00 1.00 H new ATOM 0 HA CYS A 50 91.287 -3.843 -4.926 1.00 1.00 H new ATOM 0 HB2 CYS A 50 90.081 -5.982 -4.790 1.00 1.00 H new ATOM 0 HB3 CYS A 50 88.676 -5.195 -4.100 1.00 1.00 H new ATOM 774 N GLY A 51 89.561 -1.831 -3.339 1.00 1.00 N ATOM 775 CA GLY A 51 88.830 -0.528 -3.368 1.00 1.00 C ATOM 776 C GLY A 51 89.838 0.622 -3.354 1.00 1.00 C ATOM 777 O GLY A 51 89.817 1.489 -4.205 1.00 1.00 O ATOM 0 H GLY A 51 89.987 -2.066 -2.442 1.00 1.00 H new ATOM 0 HA2 GLY A 51 88.206 -0.468 -4.260 1.00 1.00 H new ATOM 0 HA3 GLY A 51 88.164 -0.453 -2.508 1.00 1.00 H new ATOM 781 N ASP A 52 90.723 0.636 -2.394 1.00 1.00 N ATOM 782 CA ASP A 52 91.734 1.730 -2.326 1.00 1.00 C ATOM 783 C ASP A 52 91.021 3.084 -2.286 1.00 1.00 C ATOM 784 O ASP A 52 91.633 4.122 -2.436 1.00 1.00 O ATOM 785 CB ASP A 52 92.639 1.664 -3.558 1.00 1.00 C ATOM 786 CG ASP A 52 93.052 0.213 -3.811 1.00 1.00 C ATOM 787 OD1 ASP A 52 92.173 -0.630 -3.874 1.00 1.00 O ATOM 788 OD2 ASP A 52 94.241 -0.030 -3.937 1.00 1.00 O ATOM 0 H ASP A 52 90.790 -0.063 -1.654 1.00 1.00 H new ATOM 0 HA ASP A 52 92.337 1.612 -1.426 1.00 1.00 H new ATOM 0 HB2 ASP A 52 92.116 2.061 -4.428 1.00 1.00 H new ATOM 0 HB3 ASP A 52 93.523 2.284 -3.407 1.00 1.00 H new ATOM 793 N ASP A 53 89.732 3.079 -2.084 1.00 1.00 N ATOM 794 CA ASP A 53 88.977 4.363 -2.035 1.00 1.00 C ATOM 795 C ASP A 53 87.520 4.078 -1.663 1.00 1.00 C ATOM 796 O ASP A 53 86.835 3.332 -2.334 1.00 1.00 O ATOM 797 CB ASP A 53 89.031 5.041 -3.407 1.00 1.00 C ATOM 798 CG ASP A 53 88.092 6.249 -3.418 1.00 1.00 C ATOM 799 OD1 ASP A 53 88.198 7.065 -2.517 1.00 1.00 O ATOM 800 OD2 ASP A 53 87.284 6.338 -4.328 1.00 1.00 O ATOM 0 H ASP A 53 89.168 2.240 -1.951 1.00 1.00 H new ATOM 0 HA ASP A 53 89.423 5.021 -1.289 1.00 1.00 H new ATOM 0 HB2 ASP A 53 90.050 5.358 -3.628 1.00 1.00 H new ATOM 0 HB3 ASP A 53 88.741 4.335 -4.185 1.00 1.00 H new ATOM 805 N ILE A 54 87.041 4.662 -0.598 1.00 1.00 N ATOM 806 CA ILE A 54 85.628 4.414 -0.191 1.00 1.00 C ATOM 807 C ILE A 54 84.688 5.316 -1.008 1.00 1.00 C ATOM 808 O ILE A 54 84.892 6.510 -1.097 1.00 1.00 O ATOM 809 CB ILE A 54 85.460 4.700 1.310 1.00 1.00 C ATOM 810 CG1 ILE A 54 85.529 6.210 1.551 1.00 1.00 C ATOM 811 CG2 ILE A 54 86.579 4.009 2.091 1.00 1.00 C ATOM 812 CD1 ILE A 54 86.871 6.746 1.048 1.00 1.00 C ATOM 0 H ILE A 54 87.564 5.297 0.005 1.00 1.00 H new ATOM 0 HA ILE A 54 85.376 3.371 -0.382 1.00 1.00 H new ATOM 0 HB ILE A 54 84.495 4.320 1.646 1.00 1.00 H new ATOM 0 HG12 ILE A 54 84.709 6.709 1.035 1.00 1.00 H new ATOM 0 HG13 ILE A 54 85.414 6.425 2.613 1.00 1.00 H new ATOM 0 HG21 ILE A 54 86.459 4.212 3.155 1.00 1.00 H new ATOM 0 HG22 ILE A 54 86.532 2.934 1.919 1.00 1.00 H new ATOM 0 HG23 ILE A 54 87.544 4.388 1.756 1.00 1.00 H new ATOM 0 HD11 ILE A 54 86.921 7.821 1.219 1.00 1.00 H new ATOM 0 HD12 ILE A 54 87.683 6.255 1.585 1.00 1.00 H new ATOM 0 HD13 ILE A 54 86.967 6.544 -0.019 1.00 1.00 H new ATOM 824 N PRO A 55 83.663 4.756 -1.606 1.00 1.00 N ATOM 825 CA PRO A 55 82.690 5.540 -2.418 1.00 1.00 C ATOM 826 C PRO A 55 81.661 6.260 -1.540 1.00 1.00 C ATOM 827 O PRO A 55 80.468 6.137 -1.734 1.00 1.00 O ATOM 828 CB PRO A 55 82.016 4.473 -3.280 1.00 1.00 C ATOM 829 CG PRO A 55 82.049 3.238 -2.440 1.00 1.00 C ATOM 830 CD PRO A 55 83.314 3.326 -1.579 1.00 1.00 C ATOM 0 HA PRO A 55 83.170 6.329 -2.997 1.00 1.00 H new ATOM 0 HB2 PRO A 55 80.994 4.754 -3.532 1.00 1.00 H new ATOM 0 HB3 PRO A 55 82.548 4.328 -4.220 1.00 1.00 H new ATOM 0 HG2 PRO A 55 81.159 3.171 -1.815 1.00 1.00 H new ATOM 0 HG3 PRO A 55 82.067 2.345 -3.065 1.00 1.00 H new ATOM 0 HD2 PRO A 55 83.130 2.979 -0.562 1.00 1.00 H new ATOM 0 HD3 PRO A 55 84.117 2.711 -1.985 1.00 1.00 H new ATOM 838 N GLY A 56 82.116 7.006 -0.572 1.00 1.00 N ATOM 839 CA GLY A 56 81.168 7.729 0.319 1.00 1.00 C ATOM 840 C GLY A 56 80.611 6.758 1.361 1.00 1.00 C ATOM 841 O GLY A 56 79.597 6.124 1.150 1.00 1.00 O ATOM 0 H GLY A 56 83.104 7.146 -0.360 1.00 1.00 H new ATOM 0 HA2 GLY A 56 81.675 8.558 0.813 1.00 1.00 H new ATOM 0 HA3 GLY A 56 80.355 8.157 -0.267 1.00 1.00 H new ATOM 845 N MET A 57 81.273 6.637 2.483 1.00 1.00 N ATOM 846 CA MET A 57 80.791 5.706 3.550 1.00 1.00 C ATOM 847 C MET A 57 79.263 5.760 3.634 1.00 1.00 C ATOM 848 O MET A 57 78.620 4.816 4.048 1.00 1.00 O ATOM 849 CB MET A 57 81.389 6.119 4.898 1.00 1.00 C ATOM 850 CG MET A 57 81.217 4.980 5.905 1.00 1.00 C ATOM 851 SD MET A 57 81.684 5.558 7.555 1.00 1.00 S ATOM 852 CE MET A 57 82.030 3.934 8.275 1.00 1.00 C ATOM 0 H MET A 57 82.129 7.144 2.708 1.00 1.00 H new ATOM 0 HA MET A 57 81.103 4.690 3.307 1.00 1.00 H new ATOM 0 HB2 MET A 57 82.446 6.358 4.781 1.00 1.00 H new ATOM 0 HB3 MET A 57 80.897 7.020 5.265 1.00 1.00 H new ATOM 0 HG2 MET A 57 80.183 4.636 5.908 1.00 1.00 H new ATOM 0 HG3 MET A 57 81.835 4.130 5.617 1.00 1.00 H new ATOM 0 HE1 MET A 57 82.342 4.055 9.312 1.00 1.00 H new ATOM 0 HE2 MET A 57 81.131 3.320 8.236 1.00 1.00 H new ATOM 0 HE3 MET A 57 82.826 3.448 7.711 1.00 1.00 H new ATOM 862 N GLU A 58 78.678 6.858 3.238 1.00 1.00 N ATOM 863 CA GLU A 58 77.192 6.976 3.286 1.00 1.00 C ATOM 864 C GLU A 58 76.716 7.806 2.091 1.00 1.00 C ATOM 865 O GLU A 58 77.496 8.202 1.248 1.00 1.00 O ATOM 866 CB GLU A 58 76.775 7.664 4.593 1.00 1.00 C ATOM 867 CG GLU A 58 76.533 6.607 5.672 1.00 1.00 C ATOM 868 CD GLU A 58 75.241 5.847 5.362 1.00 1.00 C ATOM 869 OE1 GLU A 58 74.180 6.402 5.596 1.00 1.00 O ATOM 870 OE2 GLU A 58 75.335 4.724 4.896 1.00 1.00 O ATOM 0 H GLU A 58 79.166 7.680 2.883 1.00 1.00 H new ATOM 0 HA GLU A 58 76.742 5.984 3.244 1.00 1.00 H new ATOM 0 HB2 GLU A 58 77.552 8.357 4.916 1.00 1.00 H new ATOM 0 HB3 GLU A 58 75.870 8.251 4.435 1.00 1.00 H new ATOM 0 HG2 GLU A 58 77.374 5.915 5.713 1.00 1.00 H new ATOM 0 HG3 GLU A 58 76.463 7.081 6.651 1.00 1.00 H new ATOM 877 N GLY A 59 75.441 8.070 2.009 1.00 1.00 N ATOM 878 CA GLY A 59 74.918 8.871 0.866 1.00 1.00 C ATOM 879 C GLY A 59 74.732 7.962 -0.348 1.00 1.00 C ATOM 880 O GLY A 59 74.703 6.753 -0.229 1.00 1.00 O ATOM 0 H GLY A 59 74.739 7.766 2.684 1.00 1.00 H new ATOM 0 HA2 GLY A 59 73.969 9.334 1.136 1.00 1.00 H new ATOM 0 HA3 GLY A 59 75.610 9.679 0.627 1.00 1.00 H new ATOM 884 N CYS A 60 74.604 8.529 -1.516 1.00 1.00 N ATOM 885 CA CYS A 60 74.419 7.686 -2.731 1.00 1.00 C ATOM 886 C CYS A 60 73.186 6.798 -2.547 1.00 1.00 C ATOM 887 O CYS A 60 72.881 5.962 -3.375 1.00 1.00 O ATOM 888 CB CYS A 60 75.660 6.807 -2.930 1.00 1.00 C ATOM 889 SG CYS A 60 76.216 6.925 -4.649 1.00 1.00 S ATOM 0 H CYS A 60 74.619 9.535 -1.682 1.00 1.00 H new ATOM 0 HA CYS A 60 74.281 8.323 -3.605 1.00 1.00 H new ATOM 0 HB2 CYS A 60 76.456 7.126 -2.257 1.00 1.00 H new ATOM 0 HB3 CYS A 60 75.428 5.771 -2.682 1.00 1.00 H new ATOM 894 N GLY A 61 72.481 6.968 -1.463 1.00 1.00 N ATOM 895 CA GLY A 61 71.275 6.129 -1.218 1.00 1.00 C ATOM 896 C GLY A 61 70.105 6.635 -2.062 1.00 1.00 C ATOM 897 O GLY A 61 69.119 5.950 -2.233 1.00 1.00 O ATOM 0 H GLY A 61 72.688 7.652 -0.736 1.00 1.00 H new ATOM 0 HA2 GLY A 61 71.489 5.089 -1.465 1.00 1.00 H new ATOM 0 HA3 GLY A 61 71.011 6.158 -0.161 1.00 1.00 H new ATOM 901 N THR A 62 70.200 7.827 -2.589 1.00 1.00 N ATOM 902 CA THR A 62 69.083 8.373 -3.418 1.00 1.00 C ATOM 903 C THR A 62 68.514 7.269 -4.316 1.00 1.00 C ATOM 904 O THR A 62 67.349 7.274 -4.658 1.00 1.00 O ATOM 905 CB THR A 62 69.602 9.526 -4.285 1.00 1.00 C ATOM 906 OG1 THR A 62 68.501 10.252 -4.812 1.00 1.00 O ATOM 907 CG2 THR A 62 70.444 8.965 -5.433 1.00 1.00 C ATOM 0 H THR A 62 71.003 8.447 -2.482 1.00 1.00 H new ATOM 0 HA THR A 62 68.295 8.741 -2.760 1.00 1.00 H new ATOM 0 HB THR A 62 70.218 10.190 -3.678 1.00 1.00 H new ATOM 0 HG1 THR A 62 68.616 10.364 -5.779 1.00 1.00 H new ATOM 0 HG21 THR A 62 70.812 9.786 -6.049 1.00 1.00 H new ATOM 0 HG22 THR A 62 71.289 8.409 -5.027 1.00 1.00 H new ATOM 0 HG23 THR A 62 69.831 8.301 -6.043 1.00 1.00 H new ATOM 915 N ASP A 63 69.328 6.322 -4.697 1.00 1.00 N ATOM 916 CA ASP A 63 68.831 5.221 -5.569 1.00 1.00 C ATOM 917 C ASP A 63 67.677 4.502 -4.869 1.00 1.00 C ATOM 918 O ASP A 63 67.047 3.626 -5.428 1.00 1.00 O ATOM 919 CB ASP A 63 69.966 4.229 -5.835 1.00 1.00 C ATOM 920 CG ASP A 63 70.585 3.792 -4.506 1.00 1.00 C ATOM 921 OD1 ASP A 63 69.856 3.718 -3.531 1.00 1.00 O ATOM 922 OD2 ASP A 63 71.779 3.538 -4.487 1.00 1.00 O ATOM 0 H ASP A 63 70.314 6.264 -4.442 1.00 1.00 H new ATOM 0 HA ASP A 63 68.482 5.634 -6.515 1.00 1.00 H new ATOM 0 HB2 ASP A 63 69.586 3.361 -6.374 1.00 1.00 H new ATOM 0 HB3 ASP A 63 70.725 4.690 -6.468 1.00 1.00 H new ATOM 927 N ILE A 64 67.394 4.866 -3.648 1.00 1.00 N ATOM 928 CA ILE A 64 66.281 4.207 -2.910 1.00 1.00 C ATOM 929 C ILE A 64 66.005 4.971 -1.612 1.00 1.00 C ATOM 930 O ILE A 64 64.897 4.985 -1.117 1.00 1.00 O ATOM 931 CB ILE A 64 66.668 2.766 -2.580 1.00 1.00 C ATOM 932 CG1 ILE A 64 65.438 2.013 -2.069 1.00 1.00 C ATOM 933 CG2 ILE A 64 67.751 2.762 -1.500 1.00 1.00 C ATOM 934 CD1 ILE A 64 64.557 1.610 -3.254 1.00 1.00 C ATOM 0 H ILE A 64 67.887 5.593 -3.129 1.00 1.00 H new ATOM 0 HA ILE A 64 65.385 4.209 -3.531 1.00 1.00 H new ATOM 0 HB ILE A 64 67.048 2.278 -3.477 1.00 1.00 H new ATOM 0 HG12 ILE A 64 65.746 1.127 -1.513 1.00 1.00 H new ATOM 0 HG13 ILE A 64 64.874 2.642 -1.380 1.00 1.00 H new ATOM 0 HG21 ILE A 64 68.027 1.734 -1.265 1.00 1.00 H new ATOM 0 HG22 ILE A 64 68.628 3.299 -1.862 1.00 1.00 H new ATOM 0 HG23 ILE A 64 67.371 3.250 -0.602 1.00 1.00 H new ATOM 0 HD11 ILE A 64 63.681 1.074 -2.890 1.00 1.00 H new ATOM 0 HD12 ILE A 64 64.238 2.503 -3.791 1.00 1.00 H new ATOM 0 HD13 ILE A 64 65.124 0.966 -3.926 1.00 1.00 H new ATOM 946 N THR A 65 67.015 5.598 -1.065 1.00 1.00 N ATOM 947 CA THR A 65 66.856 6.374 0.204 1.00 1.00 C ATOM 948 C THR A 65 67.134 5.469 1.409 1.00 1.00 C ATOM 949 O THR A 65 67.472 5.940 2.477 1.00 1.00 O ATOM 950 CB THR A 65 65.438 6.949 0.312 1.00 1.00 C ATOM 951 OG1 THR A 65 64.982 7.324 -0.980 1.00 1.00 O ATOM 952 CG2 THR A 65 65.450 8.174 1.227 1.00 1.00 C ATOM 0 H THR A 65 67.959 5.605 -1.450 1.00 1.00 H new ATOM 0 HA THR A 65 67.570 7.198 0.195 1.00 1.00 H new ATOM 0 HB THR A 65 64.770 6.195 0.729 1.00 1.00 H new ATOM 0 HG1 THR A 65 64.325 6.670 -1.298 1.00 1.00 H new ATOM 0 HG21 THR A 65 64.442 8.581 1.303 1.00 1.00 H new ATOM 0 HG22 THR A 65 65.800 7.885 2.218 1.00 1.00 H new ATOM 0 HG23 THR A 65 66.117 8.931 0.813 1.00 1.00 H new ATOM 960 N VAL A 66 66.990 4.178 1.258 1.00 1.00 N ATOM 961 CA VAL A 66 67.247 3.266 2.415 1.00 1.00 C ATOM 962 C VAL A 66 67.885 1.948 1.948 1.00 1.00 C ATOM 963 O VAL A 66 69.053 1.708 2.183 1.00 1.00 O ATOM 964 CB VAL A 66 65.929 2.976 3.143 1.00 1.00 C ATOM 965 CG1 VAL A 66 65.390 4.268 3.759 1.00 1.00 C ATOM 966 CG2 VAL A 66 64.908 2.423 2.146 1.00 1.00 C ATOM 0 H VAL A 66 66.708 3.718 0.392 1.00 1.00 H new ATOM 0 HA VAL A 66 67.942 3.759 3.095 1.00 1.00 H new ATOM 0 HB VAL A 66 66.103 2.243 3.931 1.00 1.00 H new ATOM 0 HG11 VAL A 66 64.453 4.061 4.276 1.00 1.00 H new ATOM 0 HG12 VAL A 66 66.117 4.664 4.469 1.00 1.00 H new ATOM 0 HG13 VAL A 66 65.215 5.001 2.972 1.00 1.00 H new ATOM 0 HG21 VAL A 66 63.970 2.216 2.662 1.00 1.00 H new ATOM 0 HG22 VAL A 66 64.735 3.156 1.358 1.00 1.00 H new ATOM 0 HG23 VAL A 66 65.291 1.502 1.706 1.00 1.00 H new ATOM 976 N ILE A 67 67.134 1.083 1.311 1.00 1.00 N ATOM 977 CA ILE A 67 67.710 -0.224 0.863 1.00 1.00 C ATOM 978 C ILE A 67 67.289 -0.526 -0.579 1.00 1.00 C ATOM 979 O ILE A 67 66.201 -1.006 -0.828 1.00 1.00 O ATOM 980 CB ILE A 67 67.192 -1.337 1.784 1.00 1.00 C ATOM 981 CG1 ILE A 67 67.782 -1.154 3.184 1.00 1.00 C ATOM 982 CG2 ILE A 67 67.614 -2.698 1.229 1.00 1.00 C ATOM 983 CD1 ILE A 67 66.648 -1.058 4.207 1.00 1.00 C ATOM 0 H ILE A 67 66.150 1.224 1.082 1.00 1.00 H new ATOM 0 HA ILE A 67 68.798 -0.170 0.908 1.00 1.00 H new ATOM 0 HB ILE A 67 66.104 -1.288 1.836 1.00 1.00 H new ATOM 0 HG12 ILE A 67 68.436 -1.992 3.427 1.00 1.00 H new ATOM 0 HG13 ILE A 67 68.394 -0.252 3.218 1.00 1.00 H new ATOM 0 HG21 ILE A 67 67.246 -3.488 1.884 1.00 1.00 H new ATOM 0 HG22 ILE A 67 67.196 -2.829 0.231 1.00 1.00 H new ATOM 0 HG23 ILE A 67 68.702 -2.748 1.176 1.00 1.00 H new ATOM 0 HD11 ILE A 67 67.068 -0.928 5.204 1.00 1.00 H new ATOM 0 HD12 ILE A 67 66.012 -0.206 3.967 1.00 1.00 H new ATOM 0 HD13 ILE A 67 66.055 -1.972 4.180 1.00 1.00 H new ATOM 995 N CYS A 68 68.143 -0.256 -1.530 1.00 1.00 N ATOM 996 CA CYS A 68 67.791 -0.532 -2.952 1.00 1.00 C ATOM 997 C CYS A 68 67.630 -2.042 -3.150 1.00 1.00 C ATOM 998 O CYS A 68 68.251 -2.832 -2.467 1.00 1.00 O ATOM 999 CB CYS A 68 68.911 -0.013 -3.862 1.00 1.00 C ATOM 1000 SG CYS A 68 70.324 -1.141 -3.783 1.00 1.00 S ATOM 0 HA CYS A 68 66.856 -0.030 -3.203 1.00 1.00 H new ATOM 0 HB2 CYS A 68 68.553 0.067 -4.888 1.00 1.00 H new ATOM 0 HB3 CYS A 68 69.213 0.987 -3.551 1.00 1.00 H new ATOM 1005 N PRO A 69 66.799 -2.451 -4.080 1.00 1.00 N ATOM 1006 CA PRO A 69 66.563 -3.899 -4.359 1.00 1.00 C ATOM 1007 C PRO A 69 67.868 -4.640 -4.670 1.00 1.00 C ATOM 1008 O PRO A 69 67.911 -5.854 -4.704 1.00 1.00 O ATOM 1009 CB PRO A 69 65.623 -3.910 -5.578 1.00 1.00 C ATOM 1010 CG PRO A 69 65.642 -2.519 -6.126 1.00 1.00 C ATOM 1011 CD PRO A 69 66.004 -1.590 -4.966 1.00 1.00 C ATOM 0 HA PRO A 69 66.137 -4.411 -3.496 1.00 1.00 H new ATOM 0 HB2 PRO A 69 65.961 -4.628 -6.325 1.00 1.00 H new ATOM 0 HB3 PRO A 69 64.613 -4.202 -5.289 1.00 1.00 H new ATOM 0 HG2 PRO A 69 66.370 -2.432 -6.933 1.00 1.00 H new ATOM 0 HG3 PRO A 69 64.670 -2.255 -6.544 1.00 1.00 H new ATOM 0 HD2 PRO A 69 66.575 -0.726 -5.306 1.00 1.00 H new ATOM 0 HD3 PRO A 69 65.115 -1.208 -4.464 1.00 1.00 H new ATOM 1019 N TRP A 70 68.932 -3.917 -4.889 1.00 1.00 N ATOM 1020 CA TRP A 70 70.233 -4.578 -5.187 1.00 1.00 C ATOM 1021 C TRP A 70 70.858 -5.057 -3.874 1.00 1.00 C ATOM 1022 O TRP A 70 71.718 -5.915 -3.857 1.00 1.00 O ATOM 1023 CB TRP A 70 71.169 -3.570 -5.872 1.00 1.00 C ATOM 1024 CG TRP A 70 72.014 -4.277 -6.883 1.00 1.00 C ATOM 1025 CD1 TRP A 70 72.937 -5.224 -6.598 1.00 1.00 C ATOM 1026 CD2 TRP A 70 72.030 -4.113 -8.331 1.00 1.00 C ATOM 1027 NE1 TRP A 70 73.519 -5.651 -7.777 1.00 1.00 N ATOM 1028 CE2 TRP A 70 72.994 -4.997 -8.873 1.00 1.00 C ATOM 1029 CE3 TRP A 70 71.311 -3.292 -9.217 1.00 1.00 C ATOM 1030 CZ2 TRP A 70 73.235 -5.063 -10.248 1.00 1.00 C ATOM 1031 CZ3 TRP A 70 71.550 -3.355 -10.598 1.00 1.00 C ATOM 1032 CH2 TRP A 70 72.509 -4.238 -11.113 1.00 1.00 C ATOM 0 H TRP A 70 68.956 -2.897 -4.874 1.00 1.00 H new ATOM 0 HA TRP A 70 70.077 -5.430 -5.849 1.00 1.00 H new ATOM 0 HB2 TRP A 70 70.585 -2.787 -6.355 1.00 1.00 H new ATOM 0 HB3 TRP A 70 71.802 -3.084 -5.130 1.00 1.00 H new ATOM 0 HD1 TRP A 70 73.180 -5.587 -5.610 1.00 1.00 H new ATOM 0 HE1 TRP A 70 74.248 -6.363 -7.830 1.00 1.00 H new ATOM 0 HE3 TRP A 70 70.569 -2.608 -8.832 1.00 1.00 H new ATOM 0 HZ2 TRP A 70 73.975 -5.745 -10.639 1.00 1.00 H new ATOM 0 HZ3 TRP A 70 70.991 -2.719 -11.269 1.00 1.00 H new ATOM 0 HH2 TRP A 70 72.687 -4.281 -12.177 1.00 1.00 H new ATOM 1043 N GLU A 71 70.427 -4.505 -2.772 1.00 1.00 N ATOM 1044 CA GLU A 71 70.987 -4.919 -1.454 1.00 1.00 C ATOM 1045 C GLU A 71 70.214 -6.132 -0.929 1.00 1.00 C ATOM 1046 O GLU A 71 70.663 -6.827 -0.041 1.00 1.00 O ATOM 1047 CB GLU A 71 70.855 -3.754 -0.463 1.00 1.00 C ATOM 1048 CG GLU A 71 72.163 -2.961 -0.428 1.00 1.00 C ATOM 1049 CD GLU A 71 71.908 -1.582 0.183 1.00 1.00 C ATOM 1050 OE1 GLU A 71 70.807 -1.079 0.025 1.00 1.00 O ATOM 1051 OE2 GLU A 71 72.817 -1.051 0.800 1.00 1.00 O ATOM 0 H GLU A 71 69.708 -3.782 -2.728 1.00 1.00 H new ATOM 0 HA GLU A 71 72.038 -5.185 -1.567 1.00 1.00 H new ATOM 0 HB2 GLU A 71 70.031 -3.104 -0.758 1.00 1.00 H new ATOM 0 HB3 GLU A 71 70.621 -4.134 0.532 1.00 1.00 H new ATOM 0 HG2 GLU A 71 72.910 -3.497 0.157 1.00 1.00 H new ATOM 0 HG3 GLU A 71 72.564 -2.855 -1.436 1.00 1.00 H new ATOM 1058 N ALA A 72 69.054 -6.389 -1.467 1.00 1.00 N ATOM 1059 CA ALA A 72 68.258 -7.555 -0.992 1.00 1.00 C ATOM 1060 C ALA A 72 69.070 -8.839 -1.178 1.00 1.00 C ATOM 1061 O ALA A 72 69.314 -9.275 -2.286 1.00 1.00 O ATOM 1062 CB ALA A 72 66.960 -7.650 -1.796 1.00 1.00 C ATOM 0 H ALA A 72 68.624 -5.843 -2.214 1.00 1.00 H new ATOM 0 HA ALA A 72 68.021 -7.426 0.064 1.00 1.00 H new ATOM 0 HB1 ALA A 72 66.378 -8.503 -1.448 1.00 1.00 H new ATOM 0 HB2 ALA A 72 66.381 -6.737 -1.661 1.00 1.00 H new ATOM 0 HB3 ALA A 72 67.195 -7.778 -2.853 1.00 1.00 H new ATOM 1068 N CYS A 73 69.488 -9.449 -0.102 1.00 1.00 N ATOM 1069 CA CYS A 73 70.281 -10.706 -0.215 1.00 1.00 C ATOM 1070 C CYS A 73 69.409 -11.803 -0.833 1.00 1.00 C ATOM 1071 O CYS A 73 69.057 -12.767 -0.184 1.00 1.00 O ATOM 1072 CB CYS A 73 70.741 -11.146 1.178 1.00 1.00 C ATOM 1073 SG CYS A 73 72.305 -10.330 1.584 1.00 1.00 S ATOM 0 H CYS A 73 69.314 -9.131 0.851 1.00 1.00 H new ATOM 0 HA CYS A 73 71.152 -10.532 -0.847 1.00 1.00 H new ATOM 0 HB2 CYS A 73 69.983 -10.893 1.920 1.00 1.00 H new ATOM 0 HB3 CYS A 73 70.865 -12.229 1.206 1.00 1.00 H new ATOM 1078 N ASN A 74 69.055 -11.664 -2.083 1.00 1.00 N ATOM 1079 CA ASN A 74 68.203 -12.702 -2.733 1.00 1.00 C ATOM 1080 C ASN A 74 68.404 -12.661 -4.251 1.00 1.00 C ATOM 1081 O ASN A 74 67.763 -13.383 -4.989 1.00 1.00 O ATOM 1082 CB ASN A 74 66.731 -12.431 -2.410 1.00 1.00 C ATOM 1083 CG ASN A 74 66.585 -12.104 -0.923 1.00 1.00 C ATOM 1084 OD1 ASN A 74 66.878 -11.004 -0.499 1.00 1.00 O ATOM 1085 ND2 ASN A 74 66.141 -13.021 -0.106 1.00 1.00 N ATOM 0 H ASN A 74 69.318 -10.880 -2.680 1.00 1.00 H new ATOM 0 HA ASN A 74 68.486 -13.685 -2.357 1.00 1.00 H new ATOM 0 HB2 ASN A 74 66.362 -11.601 -3.013 1.00 1.00 H new ATOM 0 HB3 ASN A 74 66.126 -13.302 -2.662 1.00 1.00 H new ATOM 0 HD21 ASN A 74 66.040 -12.813 0.888 1.00 1.00 H new ATOM 0 HD22 ASN A 74 65.895 -13.945 -0.461 1.00 1.00 H new ATOM 1092 N HIS A 75 69.286 -11.824 -4.725 1.00 1.00 N ATOM 1093 CA HIS A 75 69.520 -11.744 -6.195 1.00 1.00 C ATOM 1094 C HIS A 75 70.894 -11.128 -6.462 1.00 1.00 C ATOM 1095 O HIS A 75 71.010 -9.957 -6.762 1.00 1.00 O ATOM 1096 CB HIS A 75 68.440 -10.869 -6.839 1.00 1.00 C ATOM 1097 CG HIS A 75 67.170 -11.662 -6.980 1.00 1.00 C ATOM 1098 ND1 HIS A 75 67.137 -12.902 -7.599 1.00 1.00 N ATOM 1099 CD2 HIS A 75 65.878 -11.403 -6.587 1.00 1.00 C ATOM 1100 CE1 HIS A 75 65.867 -13.343 -7.562 1.00 1.00 C ATOM 1101 NE2 HIS A 75 65.061 -12.467 -6.957 1.00 1.00 N ATOM 0 H HIS A 75 69.854 -11.193 -4.159 1.00 1.00 H new ATOM 0 HA HIS A 75 69.480 -12.746 -6.621 1.00 1.00 H new ATOM 0 HB2 HIS A 75 68.263 -9.984 -6.229 1.00 1.00 H new ATOM 0 HB3 HIS A 75 68.774 -10.521 -7.816 1.00 1.00 H new ATOM 0 HD2 HIS A 75 65.549 -10.513 -6.072 1.00 1.00 H new ATOM 0 HE1 HIS A 75 65.540 -14.288 -7.971 1.00 1.00 H new ATOM 0 HE2 HIS A 75 64.057 -12.559 -6.799 1.00 1.00 H new ATOM 1110 N CYS A 76 71.935 -11.906 -6.359 1.00 1.00 N ATOM 1111 CA CYS A 76 73.297 -11.362 -6.611 1.00 1.00 C ATOM 1112 C CYS A 76 74.222 -12.497 -7.051 1.00 1.00 C ATOM 1113 O CYS A 76 73.777 -13.544 -7.479 1.00 1.00 O ATOM 1114 CB CYS A 76 73.838 -10.726 -5.327 1.00 1.00 C ATOM 1115 SG CYS A 76 75.047 -9.447 -5.750 1.00 1.00 S ATOM 0 H CYS A 76 71.901 -12.895 -6.111 1.00 1.00 H new ATOM 0 HA CYS A 76 73.250 -10.607 -7.396 1.00 1.00 H new ATOM 0 HB2 CYS A 76 73.021 -10.292 -4.751 1.00 1.00 H new ATOM 0 HB3 CYS A 76 74.302 -11.487 -4.699 1.00 1.00 H new ATOM 1120 N GLU A 77 75.503 -12.297 -6.950 1.00 1.00 N ATOM 1121 CA GLU A 77 76.460 -13.363 -7.360 1.00 1.00 C ATOM 1122 C GLU A 77 76.438 -14.494 -6.328 1.00 1.00 C ATOM 1123 O GLU A 77 75.762 -15.489 -6.499 1.00 1.00 O ATOM 1124 CB GLU A 77 77.871 -12.779 -7.450 1.00 1.00 C ATOM 1125 CG GLU A 77 78.835 -13.851 -7.963 1.00 1.00 C ATOM 1126 CD GLU A 77 80.220 -13.235 -8.171 1.00 1.00 C ATOM 1127 OE1 GLU A 77 80.369 -12.055 -7.899 1.00 1.00 O ATOM 1128 OE2 GLU A 77 81.108 -13.954 -8.598 1.00 1.00 O ATOM 0 H GLU A 77 75.932 -11.440 -6.601 1.00 1.00 H new ATOM 0 HA GLU A 77 76.169 -13.755 -8.334 1.00 1.00 H new ATOM 0 HB2 GLU A 77 77.878 -11.918 -8.119 1.00 1.00 H new ATOM 0 HB3 GLU A 77 78.192 -12.424 -6.471 1.00 1.00 H new ATOM 0 HG2 GLU A 77 78.894 -14.673 -7.250 1.00 1.00 H new ATOM 0 HG3 GLU A 77 78.466 -14.268 -8.900 1.00 1.00 H new ATOM 1135 N LEU A 78 77.174 -14.348 -5.257 1.00 1.00 N ATOM 1136 CA LEU A 78 77.202 -15.411 -4.209 1.00 1.00 C ATOM 1137 C LEU A 78 77.159 -14.752 -2.823 1.00 1.00 C ATOM 1138 O LEU A 78 76.663 -13.655 -2.667 1.00 1.00 O ATOM 1139 CB LEU A 78 78.488 -16.235 -4.362 1.00 1.00 C ATOM 1140 CG LEU A 78 78.284 -17.306 -5.435 1.00 1.00 C ATOM 1141 CD1 LEU A 78 79.628 -17.643 -6.084 1.00 1.00 C ATOM 1142 CD2 LEU A 78 77.700 -18.566 -4.791 1.00 1.00 C ATOM 0 H LEU A 78 77.759 -13.535 -5.063 1.00 1.00 H new ATOM 0 HA LEU A 78 76.340 -16.069 -4.319 1.00 1.00 H new ATOM 0 HB2 LEU A 78 79.319 -15.585 -4.636 1.00 1.00 H new ATOM 0 HB3 LEU A 78 78.748 -16.702 -3.412 1.00 1.00 H new ATOM 0 HG LEU A 78 77.598 -16.932 -6.195 1.00 1.00 H new ATOM 0 HD11 LEU A 78 79.482 -18.406 -6.848 1.00 1.00 H new ATOM 0 HD12 LEU A 78 80.046 -16.746 -6.542 1.00 1.00 H new ATOM 0 HD13 LEU A 78 80.315 -18.017 -5.325 1.00 1.00 H new ATOM 0 HD21 LEU A 78 77.554 -19.330 -5.554 1.00 1.00 H new ATOM 0 HD22 LEU A 78 78.387 -18.938 -4.031 1.00 1.00 H new ATOM 0 HD23 LEU A 78 76.742 -18.328 -4.328 1.00 1.00 H new ATOM 1154 N HIS A 79 77.668 -15.413 -1.816 1.00 1.00 N ATOM 1155 CA HIS A 79 77.649 -14.821 -0.447 1.00 1.00 C ATOM 1156 C HIS A 79 76.210 -14.456 -0.073 1.00 1.00 C ATOM 1157 O HIS A 79 75.973 -13.636 0.792 1.00 1.00 O ATOM 1158 CB HIS A 79 78.529 -13.561 -0.414 1.00 1.00 C ATOM 1159 CG HIS A 79 79.938 -13.942 -0.052 1.00 1.00 C ATOM 1160 ND1 HIS A 79 80.411 -15.239 -0.189 1.00 1.00 N ATOM 1161 CD2 HIS A 79 80.989 -13.208 0.442 1.00 1.00 C ATOM 1162 CE1 HIS A 79 81.694 -15.248 0.215 1.00 1.00 C ATOM 1163 NE2 HIS A 79 82.094 -14.038 0.609 1.00 1.00 N ATOM 0 H HIS A 79 78.096 -16.337 -1.883 1.00 1.00 H new ATOM 0 HA HIS A 79 78.038 -15.546 0.268 1.00 1.00 H new ATOM 0 HB2 HIS A 79 78.513 -13.068 -1.386 1.00 1.00 H new ATOM 0 HB3 HIS A 79 78.136 -12.849 0.312 1.00 1.00 H new ATOM 0 HD2 HIS A 79 80.962 -12.152 0.666 1.00 1.00 H new ATOM 0 HE1 HIS A 79 82.323 -16.126 0.220 1.00 1.00 H new ATOM 0 HE2 HIS A 79 83.016 -13.776 0.959 1.00 1.00 H new ATOM 1172 N GLU A 80 75.245 -15.062 -0.713 1.00 1.00 N ATOM 1173 CA GLU A 80 73.823 -14.752 -0.388 1.00 1.00 C ATOM 1174 C GLU A 80 73.278 -15.823 0.558 1.00 1.00 C ATOM 1175 O GLU A 80 72.148 -15.761 0.998 1.00 1.00 O ATOM 1176 CB GLU A 80 72.996 -14.736 -1.676 1.00 1.00 C ATOM 1177 CG GLU A 80 73.283 -13.448 -2.451 1.00 1.00 C ATOM 1178 CD GLU A 80 72.342 -13.355 -3.653 1.00 1.00 C ATOM 1179 OE1 GLU A 80 72.277 -14.313 -4.406 1.00 1.00 O ATOM 1180 OE2 GLU A 80 71.702 -12.327 -3.801 1.00 1.00 O ATOM 0 H GLU A 80 75.381 -15.758 -1.446 1.00 1.00 H new ATOM 0 HA GLU A 80 73.761 -13.775 0.092 1.00 1.00 H new ATOM 0 HB2 GLU A 80 73.241 -15.604 -2.289 1.00 1.00 H new ATOM 0 HB3 GLU A 80 71.934 -14.802 -1.440 1.00 1.00 H new ATOM 0 HG2 GLU A 80 73.148 -12.583 -1.802 1.00 1.00 H new ATOM 0 HG3 GLU A 80 74.320 -13.436 -2.786 1.00 1.00 H new ATOM 1187 N LEU A 81 74.079 -16.805 0.877 1.00 1.00 N ATOM 1188 CA LEU A 81 73.613 -17.884 1.801 1.00 1.00 C ATOM 1189 C LEU A 81 74.014 -17.523 3.235 1.00 1.00 C ATOM 1190 O LEU A 81 73.371 -17.913 4.190 1.00 1.00 O ATOM 1191 CB LEU A 81 74.265 -19.218 1.395 1.00 1.00 C ATOM 1192 CG LEU A 81 73.225 -20.338 1.449 1.00 1.00 C ATOM 1193 CD1 LEU A 81 72.595 -20.385 2.842 1.00 1.00 C ATOM 1194 CD2 LEU A 81 72.136 -20.071 0.407 1.00 1.00 C ATOM 0 H LEU A 81 75.036 -16.908 0.539 1.00 1.00 H new ATOM 0 HA LEU A 81 72.529 -17.983 1.742 1.00 1.00 H new ATOM 0 HB2 LEU A 81 74.678 -19.141 0.389 1.00 1.00 H new ATOM 0 HB3 LEU A 81 75.095 -19.447 2.064 1.00 1.00 H new ATOM 0 HG LEU A 81 73.708 -21.292 1.237 1.00 1.00 H new ATOM 0 HD11 LEU A 81 71.854 -21.183 2.879 1.00 1.00 H new ATOM 0 HD12 LEU A 81 73.370 -20.574 3.585 1.00 1.00 H new ATOM 0 HD13 LEU A 81 72.112 -19.431 3.055 1.00 1.00 H new ATOM 0 HD21 LEU A 81 71.394 -20.868 0.444 1.00 1.00 H new ATOM 0 HD22 LEU A 81 71.654 -19.117 0.620 1.00 1.00 H new ATOM 0 HD23 LEU A 81 72.583 -20.038 -0.586 1.00 1.00 H new ATOM 1206 N ALA A 82 75.071 -16.773 3.388 1.00 1.00 N ATOM 1207 CA ALA A 82 75.520 -16.374 4.753 1.00 1.00 C ATOM 1208 C ALA A 82 74.398 -15.608 5.456 1.00 1.00 C ATOM 1209 O ALA A 82 74.564 -15.131 6.559 1.00 1.00 O ATOM 1210 CB ALA A 82 76.755 -15.477 4.632 1.00 1.00 C ATOM 0 H ALA A 82 75.645 -16.418 2.624 1.00 1.00 H new ATOM 0 HA ALA A 82 75.767 -17.263 5.333 1.00 1.00 H new ATOM 0 HB1 ALA A 82 77.089 -15.181 5.627 1.00 1.00 H new ATOM 0 HB2 ALA A 82 77.553 -16.023 4.129 1.00 1.00 H new ATOM 0 HB3 ALA A 82 76.503 -14.587 4.054 1.00 1.00 H new ATOM 1216 N GLN A 83 73.260 -15.481 4.824 1.00 1.00 N ATOM 1217 CA GLN A 83 72.132 -14.736 5.455 1.00 1.00 C ATOM 1218 C GLN A 83 72.668 -13.427 6.024 1.00 1.00 C ATOM 1219 O GLN A 83 72.645 -12.398 5.378 1.00 1.00 O ATOM 1220 CB GLN A 83 71.519 -15.569 6.588 1.00 1.00 C ATOM 1221 CG GLN A 83 70.450 -14.745 7.309 1.00 1.00 C ATOM 1222 CD GLN A 83 69.483 -14.152 6.282 1.00 1.00 C ATOM 1223 OE1 GLN A 83 69.724 -12.970 5.783 1.00 1.00 O flip ATOM 1224 NE2 GLN A 83 68.499 -14.771 5.930 1.00 1.00 N flip ATOM 0 H GLN A 83 73.064 -15.861 3.898 1.00 1.00 H new ATOM 0 HA GLN A 83 71.364 -14.537 4.708 1.00 1.00 H new ATOM 0 HB2 GLN A 83 71.079 -16.482 6.185 1.00 1.00 H new ATOM 0 HB3 GLN A 83 72.295 -15.872 7.291 1.00 1.00 H new ATOM 0 HG2 GLN A 83 69.907 -15.373 8.015 1.00 1.00 H new ATOM 0 HG3 GLN A 83 70.918 -13.948 7.886 1.00 1.00 H new ATOM 0 HE21 GLN A 83 68.311 -15.695 6.320 1.00 1.00 H new ATOM 0 HE22 GLN A 83 67.861 -14.367 5.244 1.00 1.00 H new ATOM 1233 N TYR A 84 73.167 -13.462 7.226 1.00 1.00 N ATOM 1234 CA TYR A 84 73.724 -12.228 7.830 1.00 1.00 C ATOM 1235 C TYR A 84 74.699 -11.607 6.836 1.00 1.00 C ATOM 1236 O TYR A 84 74.929 -10.415 6.835 1.00 1.00 O ATOM 1237 CB TYR A 84 74.466 -12.589 9.117 1.00 1.00 C ATOM 1238 CG TYR A 84 74.679 -11.345 9.946 1.00 1.00 C ATOM 1239 CD1 TYR A 84 73.588 -10.718 10.561 1.00 1.00 C ATOM 1240 CD2 TYR A 84 75.967 -10.818 10.100 1.00 1.00 C ATOM 1241 CE1 TYR A 84 73.785 -9.565 11.329 1.00 1.00 C ATOM 1242 CE2 TYR A 84 76.164 -9.664 10.868 1.00 1.00 C ATOM 1243 CZ TYR A 84 75.073 -9.038 11.483 1.00 1.00 C ATOM 1244 OH TYR A 84 75.268 -7.901 12.240 1.00 1.00 O ATOM 0 H TYR A 84 73.212 -14.294 7.815 1.00 1.00 H new ATOM 0 HA TYR A 84 72.925 -11.523 8.062 1.00 1.00 H new ATOM 0 HB2 TYR A 84 73.894 -13.323 9.685 1.00 1.00 H new ATOM 0 HB3 TYR A 84 75.426 -13.048 8.879 1.00 1.00 H new ATOM 0 HD1 TYR A 84 72.594 -11.125 10.442 1.00 1.00 H new ATOM 0 HD2 TYR A 84 76.809 -11.302 9.626 1.00 1.00 H new ATOM 0 HE1 TYR A 84 72.944 -9.082 11.803 1.00 1.00 H new ATOM 0 HE2 TYR A 84 77.157 -9.257 10.986 1.00 1.00 H new ATOM 0 HH TYR A 84 76.220 -7.671 12.245 1.00 1.00 H new ATOM 1254 N GLY A 85 75.268 -12.423 5.984 1.00 1.00 N ATOM 1255 CA GLY A 85 76.232 -11.914 4.968 1.00 1.00 C ATOM 1256 C GLY A 85 77.081 -10.797 5.569 1.00 1.00 C ATOM 1257 O GLY A 85 76.736 -9.637 5.480 1.00 1.00 O ATOM 0 H GLY A 85 75.102 -13.429 5.951 1.00 1.00 H new ATOM 0 HA2 GLY A 85 76.874 -12.725 4.625 1.00 1.00 H new ATOM 0 HA3 GLY A 85 75.693 -11.543 4.096 1.00 1.00 H new ATOM 1261 N ILE A 86 78.186 -11.132 6.185 1.00 1.00 N ATOM 1262 CA ILE A 86 79.045 -10.069 6.789 1.00 1.00 C ATOM 1263 C ILE A 86 79.078 -8.860 5.839 1.00 1.00 C ATOM 1264 O ILE A 86 78.454 -7.851 6.095 1.00 1.00 O ATOM 1265 CB ILE A 86 80.462 -10.621 7.036 1.00 1.00 C ATOM 1266 CG1 ILE A 86 81.350 -9.508 7.597 1.00 1.00 C ATOM 1267 CG2 ILE A 86 81.052 -11.125 5.718 1.00 1.00 C ATOM 1268 CD1 ILE A 86 81.177 -9.433 9.115 1.00 1.00 C ATOM 0 H ILE A 86 78.528 -12.086 6.295 1.00 1.00 H new ATOM 0 HA ILE A 86 78.637 -9.753 7.749 1.00 1.00 H new ATOM 0 HB ILE A 86 80.412 -11.444 7.749 1.00 1.00 H new ATOM 0 HG12 ILE A 86 82.394 -9.701 7.348 1.00 1.00 H new ATOM 0 HG13 ILE A 86 81.085 -8.553 7.143 1.00 1.00 H new ATOM 0 HG21 ILE A 86 82.054 -11.515 5.894 1.00 1.00 H new ATOM 0 HG22 ILE A 86 80.420 -11.916 5.315 1.00 1.00 H new ATOM 0 HG23 ILE A 86 81.103 -10.303 5.004 1.00 1.00 H new ATOM 0 HD11 ILE A 86 81.810 -8.640 9.515 1.00 1.00 H new ATOM 0 HD12 ILE A 86 80.135 -9.220 9.352 1.00 1.00 H new ATOM 0 HD13 ILE A 86 81.463 -10.385 9.561 1.00 1.00 H new ATOM 1280 N CYS A 87 79.772 -8.956 4.736 1.00 1.00 N ATOM 1281 CA CYS A 87 79.796 -7.812 3.778 1.00 1.00 C ATOM 1282 C CYS A 87 78.546 -7.865 2.899 1.00 1.00 C ATOM 1283 CB CYS A 87 81.045 -7.892 2.895 1.00 1.00 C ATOM 1284 SG CYS A 87 82.495 -8.244 3.920 1.00 1.00 S ATOM 0 H CYS A 87 80.319 -9.771 4.458 1.00 1.00 H new ATOM 0 HA CYS A 87 79.816 -6.876 4.337 1.00 1.00 H new ATOM 0 HB2 CYS A 87 80.921 -8.671 2.143 1.00 1.00 H new ATOM 0 HB3 CYS A 87 81.185 -6.953 2.360 1.00 1.00 H new TER 1289 CYS A 87 HETATM 1290 C1C RCY A 110 54.581 -9.809 -1.389 1.00 1.00 C HETATM 1291 O1G RCY A 110 50.910 -9.975 -1.934 1.00 1.00 O HETATM 1292 O1H RCY A 110 53.042 -6.268 0.071 1.00 1.00 O HETATM 1293 O1J RCY A 110 56.029 -7.557 -0.010 1.00 1.00 O HETATM 1294 C1L RCY A 110 50.839 -7.567 -2.364 1.00 1.00 C HETATM 1295 C1M RCY A 110 52.971 -8.958 1.832 1.00 1.00 C HETATM 1296 C1P RCY A 110 51.267 -8.840 -1.622 1.00 1.00 C HETATM 1297 C1Q RCY A 110 52.203 -6.999 -0.455 1.00 1.00 C HETATM 1298 N1R RCY A 110 52.192 -8.522 -0.448 1.00 1.00 N HETATM 1299 C1S RCY A 110 50.981 -6.544 -1.232 1.00 1.00 C HETATM 1300 C1U RCY A 110 52.923 -9.478 0.496 1.00 1.00 C HETATM 1301 C1V RCY A 110 55.024 -10.838 0.885 1.00 1.00 C HETATM 1302 N1V RCY A 110 54.971 -8.350 0.609 1.00 1.00 N HETATM 1303 C1W RCY A 110 54.197 -8.037 1.888 1.00 1.00 C HETATM 1304 C1X RCY A 110 54.392 -9.671 0.123 1.00 1.00 C HETATM 1305 C1Y RCY A 110 55.050 -8.352 3.120 1.00 1.00 C HETATM 1306 C1Z RCY A 110 53.787 -6.565 1.878 1.00 1.00 C HETATM 0 H1ZB RCY A 110 53.232 -6.348 0.965 1.00 1.00 H new HETATM 0 H1ZA RCY A 110 53.158 -6.357 2.743 1.00 1.00 H new HETATM 0 H1YB RCY A 110 54.456 -8.204 4.022 1.00 1.00 H new HETATM 0 H1YA RCY A 110 55.388 -9.387 3.074 1.00 1.00 H new HETATM 0 H1VB RCY A 110 54.562 -11.773 0.567 1.00 1.00 H new HETATM 0 H1VA RCY A 110 56.093 -10.872 0.676 1.00 1.00 H new HETATM 0 H1MA RCY A 110 52.060 -8.408 2.069 1.00 1.00 H new HETATM 0 H1LA RCY A 110 51.484 -7.342 -3.213 1.00 1.00 H new HETATM 0 H1CB RCY A 110 54.021 -10.672 -1.748 1.00 1.00 H new HETATM 0 H1CA RCY A 110 54.218 -8.909 -1.885 1.00 1.00 H new HETATM 0 H1Z RCY A 110 54.678 -5.939 1.919 1.00 1.00 H new HETATM 0 H1Y RCY A 110 55.915 -7.689 3.143 1.00 1.00 H new HETATM 0 H1V RCY A 110 54.867 -10.701 1.955 1.00 1.00 H new HETATM 0 H1U RCY A 110 52.363 -10.410 0.420 1.00 1.00 H new HETATM 0 H1S RCY A 110 50.093 -6.527 -0.600 1.00 1.00 H new HETATM 0 H1M RCY A 110 53.056 -9.764 2.561 1.00 1.00 H new HETATM 0 H1L RCY A 110 49.820 -7.629 -2.745 1.00 1.00 H new HETATM 0 H1C RCY A 110 55.639 -9.945 -1.613 1.00 1.00 H new HETATM 1309 C1C RCY A 121 62.951 6.470 6.138 1.00 1.00 C HETATM 1310 O1G RCY A 121 61.977 4.402 9.084 1.00 1.00 O HETATM 1311 O1H RCY A 121 66.344 6.075 8.429 1.00 1.00 O HETATM 1312 O1J RCY A 121 65.738 7.456 5.563 1.00 1.00 O HETATM 1313 C1L RCY A 121 63.515 5.670 10.503 1.00 1.00 C HETATM 1314 C1M RCY A 121 65.423 3.731 6.419 1.00 1.00 C HETATM 1315 C1P RCY A 121 63.082 4.919 9.237 1.00 1.00 C HETATM 1316 C1Q RCY A 121 65.346 5.562 8.932 1.00 1.00 C HETATM 1317 N1R RCY A 121 64.195 4.894 8.191 1.00 1.00 N HETATM 1318 C1S RCY A 121 65.033 5.479 10.415 1.00 1.00 C HETATM 1319 C1U RCY A 121 64.171 4.342 6.764 1.00 1.00 C HETATM 1320 C1V RCY A 121 63.677 4.846 4.332 1.00 1.00 C HETATM 1321 N1V RCY A 121 65.383 6.048 5.716 1.00 1.00 N HETATM 1322 C1W RCY A 121 66.327 4.864 5.917 1.00 1.00 C HETATM 1323 C1X RCY A 121 63.991 5.433 5.709 1.00 1.00 C HETATM 1324 C1Y RCY A 121 66.990 4.476 4.592 1.00 1.00 C HETATM 1325 C1Z RCY A 121 67.382 5.236 6.959 1.00 1.00 C HETATM 0 H1ZB RCY A 121 66.889 5.565 7.874 1.00 1.00 H new HETATM 0 H1ZA RCY A 121 68.003 4.367 7.174 1.00 1.00 H new HETATM 0 H1YB RCY A 121 67.594 3.580 4.736 1.00 1.00 H new HETATM 0 H1YA RCY A 121 66.221 4.280 3.844 1.00 1.00 H new HETATM 0 H1VB RCY A 121 62.702 4.360 4.357 1.00 1.00 H new HETATM 0 H1VA RCY A 121 63.666 5.644 3.590 1.00 1.00 H new HETATM 0 H1MA RCY A 121 65.865 3.234 7.283 1.00 1.00 H new HETATM 0 H1LA RCY A 121 63.225 6.721 10.485 1.00 1.00 H new HETATM 0 H1CB RCY A 121 61.990 5.979 6.291 1.00 1.00 H new HETATM 0 H1CA RCY A 121 63.270 6.942 7.068 1.00 1.00 H new HETATM 0 H1Z RCY A 121 68.007 6.042 6.573 1.00 1.00 H new HETATM 0 H1Y RCY A 121 67.627 5.292 4.251 1.00 1.00 H new HETATM 0 H1V RCY A 121 64.440 4.114 4.066 1.00 1.00 H new HETATM 0 H1U RCY A 121 63.337 3.640 6.762 1.00 1.00 H new HETATM 0 H1S RCY A 121 65.336 4.518 10.831 1.00 1.00 H new HETATM 0 H1M RCY A 121 65.287 2.971 5.649 1.00 1.00 H new HETATM 0 H1L RCY A 121 63.092 5.238 11.410 1.00 1.00 H new HETATM 0 H1C RCY A 121 62.852 7.229 5.362 1.00 1.00 H new HETATM 1328 C1C RCY A 130 74.459 6.028 -9.155 1.00 1.00 C HETATM 1329 O1G RCY A 130 79.515 6.106 -11.105 1.00 1.00 O HETATM 1330 O1H RCY A 130 76.489 7.435 -7.733 1.00 1.00 O HETATM 1331 O1J RCY A 130 73.162 4.691 -11.522 1.00 1.00 O HETATM 1332 C1L RCY A 130 79.810 6.927 -8.819 1.00 1.00 C HETATM 1333 C1M RCY A 130 76.814 5.759 -11.997 1.00 1.00 C HETATM 1334 C1P RCY A 130 79.011 6.534 -10.069 1.00 1.00 C HETATM 1335 C1Q RCY A 130 77.462 7.381 -8.483 1.00 1.00 C HETATM 1336 N1R RCY A 130 77.511 6.741 -9.865 1.00 1.00 N HETATM 1337 C1S RCY A 130 78.844 7.942 -8.199 1.00 1.00 C HETATM 1338 C1U RCY A 130 76.349 6.398 -10.799 1.00 1.00 C HETATM 1339 C1V RCY A 130 76.113 4.166 -9.627 1.00 1.00 C HETATM 1340 N1V RCY A 130 74.587 4.993 -11.432 1.00 1.00 N HETATM 1341 C1W RCY A 130 75.616 4.986 -12.562 1.00 1.00 C HETATM 1342 C1X RCY A 130 75.380 5.384 -10.193 1.00 1.00 C HETATM 1343 C1Y RCY A 130 76.017 3.550 -12.912 1.00 1.00 C HETATM 1344 C1Z RCY A 130 75.024 5.693 -13.782 1.00 1.00 C HETATM 0 H1ZB RCY A 130 74.690 6.691 -13.498 1.00 1.00 H new HETATM 0 H1ZA RCY A 130 75.783 5.773 -14.560 1.00 1.00 H new HETATM 0 H1YB RCY A 130 76.811 3.566 -13.659 1.00 1.00 H new HETATM 0 H1YA RCY A 130 76.373 3.043 -12.015 1.00 1.00 H new HETATM 0 H1VB RCY A 130 76.720 4.470 -8.774 1.00 1.00 H new HETATM 0 H1VA RCY A 130 75.386 3.420 -9.307 1.00 1.00 H new HETATM 0 H1MA RCY A 130 77.176 6.495 -12.715 1.00 1.00 H new HETATM 0 H1LA RCY A 130 80.002 6.078 -8.162 1.00 1.00 H new HETATM 0 H1CB RCY A 130 75.059 6.451 -8.349 1.00 1.00 H new HETATM 0 H1CA RCY A 130 73.876 6.819 -9.627 1.00 1.00 H new HETATM 0 H1Z RCY A 130 74.177 5.120 -14.159 1.00 1.00 H new HETATM 0 H1Y RCY A 130 75.153 3.018 -13.311 1.00 1.00 H new HETATM 0 H1V RCY A 130 76.756 3.739 -10.396 1.00 1.00 H new HETATM 0 H1U RCY A 130 75.863 7.355 -10.986 1.00 1.00 H new HETATM 0 H1S RCY A 130 78.969 8.930 -8.642 1.00 1.00 H new HETATM 0 H1M RCY A 130 77.645 5.087 -11.782 1.00 1.00 H new HETATM 0 H1L RCY A 130 80.777 7.366 -9.063 1.00 1.00 H new HETATM 0 H1C RCY A 130 73.786 5.274 -8.748 1.00 1.00 H new HETATM 1347 C1C RCY A 138 85.270 -4.711 2.971 1.00 1.00 C HETATM 1348 O1G RCY A 138 84.235 -3.417 4.080 1.00 1.00 O HETATM 1349 O1H RCY A 138 87.068 0.266 3.241 1.00 1.00 O HETATM 1350 O1J RCY A 138 84.053 -3.676 0.418 1.00 1.00 O HETATM 1351 C1L RCY A 138 84.173 -1.068 4.760 1.00 1.00 C HETATM 1352 C1M RCY A 138 87.459 -2.193 1.370 1.00 1.00 C HETATM 1353 C1P RCY A 138 84.764 -2.307 4.077 1.00 1.00 C HETATM 1354 C1Q RCY A 138 86.322 -0.540 3.795 1.00 1.00 C HETATM 1355 N1R RCY A 138 86.093 -1.992 3.393 1.00 1.00 N HETATM 1356 C1S RCY A 138 85.456 -0.269 5.012 1.00 1.00 C HETATM 1357 C1U RCY A 138 86.975 -2.893 2.526 1.00 1.00 C HETATM 1358 C1V RCY A 138 87.161 -5.119 1.333 1.00 1.00 C HETATM 1359 N1V RCY A 138 85.418 -3.387 0.850 1.00 1.00 N HETATM 1360 C1W RCY A 138 86.363 -2.318 0.305 1.00 1.00 C HETATM 1361 C1X RCY A 138 86.215 -4.084 1.944 1.00 1.00 C HETATM 1362 C1Y RCY A 138 86.960 -2.764 -1.033 1.00 1.00 C HETATM 1363 C1Z RCY A 138 85.595 -1.007 0.141 1.00 1.00 C HETATM 0 H1ZB RCY A 138 85.128 -0.738 1.088 1.00 1.00 H new HETATM 0 H1ZA RCY A 138 86.283 -0.218 -0.161 1.00 1.00 H new HETATM 0 H1YA RCY A 138 87.445 -3.732 -0.910 1.00 1.00 H new HETATM 0 H1VB RCY A 138 87.764 -5.570 2.121 1.00 1.00 H new HETATM 0 H1VA RCY A 138 86.579 -5.893 0.833 1.00 1.00 H new HETATM 0 H1MA RCY A 138 87.658 -1.147 1.603 1.00 1.00 H new HETATM 0 H1LA RCY A 138 83.469 -0.535 4.121 1.00 1.00 H new HETATM 0 H1CB RCY A 138 85.845 -5.058 3.830 1.00 1.00 H new HETATM 0 H1CA RCY A 138 84.543 -3.968 3.298 1.00 1.00 H new HETATM 0 H1Z RCY A 138 84.825 -1.129 -0.621 1.00 1.00 H new HETATM 0 H1V RCY A 138 87.815 -4.632 0.609 1.00 1.00 H new HETATM 0 H1U RCY A 138 87.772 -3.214 3.196 1.00 1.00 H new HETATM 0 H1S RCY A 138 85.949 -0.591 5.929 1.00 1.00 H new HETATM 0 H1M RCY A 138 88.396 -2.625 1.017 1.00 1.00 H new HETATM 0 H1L RCY A 138 83.645 -1.312 5.682 1.00 1.00 H new HETATM 0 H1C RCY A 138 84.748 -5.554 2.518 1.00 1.00 H new HETATM 1366 C1C RCY A 150 86.239 -2.376 -1.741 1.00 1.00 C HETATM 1367 O1G RCY A 150 83.974 -3.214 -6.460 1.00 1.00 O HETATM 1368 O1H RCY A 150 87.592 -4.574 -3.747 1.00 1.00 O HETATM 1369 O1J RCY A 150 84.161 -3.102 0.313 1.00 1.00 O HETATM 1370 C1L RCY A 150 86.235 -4.006 -6.957 1.00 1.00 C HETATM 1371 C1M RCY A 150 83.542 -4.422 -3.234 1.00 1.00 C HETATM 1372 C1P RCY A 150 85.073 -3.582 -6.050 1.00 1.00 C HETATM 1373 C1Q RCY A 150 86.923 -4.062 -4.643 1.00 1.00 C HETATM 1374 N1R RCY A 150 85.451 -3.675 -4.572 1.00 1.00 N HETATM 1375 C1S RCY A 150 87.417 -3.697 -6.032 1.00 1.00 C HETATM 1376 C1U RCY A 150 84.584 -3.441 -3.333 1.00 1.00 C HETATM 1377 C1V RCY A 150 86.167 -4.897 -1.996 1.00 1.00 C HETATM 1378 N1V RCY A 150 84.211 -3.664 -1.034 1.00 1.00 N HETATM 1379 C1W RCY A 150 83.120 -4.449 -1.759 1.00 1.00 C HETATM 1380 C1X RCY A 150 85.362 -3.596 -2.028 1.00 1.00 C HETATM 1381 C1Y RCY A 150 83.064 -5.889 -1.242 1.00 1.00 C HETATM 1382 C1Z RCY A 150 81.777 -3.749 -1.552 1.00 1.00 C HETATM 0 H1ZB RCY A 150 81.856 -2.710 -1.871 1.00 1.00 H new HETATM 0 H1ZA RCY A 150 81.010 -4.252 -2.141 1.00 1.00 H new HETATM 0 H1YB RCY A 150 82.341 -6.458 -1.827 1.00 1.00 H new HETATM 0 H1YA RCY A 150 84.048 -6.348 -1.336 1.00 1.00 H new HETATM 0 H1VB RCY A 150 86.953 -4.857 -2.750 1.00 1.00 H new HETATM 0 H1VA RCY A 150 86.615 -5.023 -1.011 1.00 1.00 H new HETATM 0 H1MA RCY A 150 82.700 -4.162 -3.875 1.00 1.00 H new HETATM 0 H1LA RCY A 150 86.186 -5.059 -7.233 1.00 1.00 H new HETATM 0 H1CA RCY A 150 85.612 -1.488 -1.662 1.00 1.00 H new HETATM 0 H1Z RCY A 150 81.506 -3.786 -0.497 1.00 1.00 H new HETATM 0 H1Y RCY A 150 82.763 -5.888 -0.194 1.00 1.00 H new HETATM 0 H1V RCY A 150 85.507 -5.739 -2.205 1.00 1.00 H new HETATM 0 H1U RCY A 150 84.206 -2.426 -3.456 1.00 1.00 H new HETATM 0 H1S RCY A 150 87.700 -2.646 -6.088 1.00 1.00 H new HETATM 0 H1M RCY A 150 83.897 -5.401 -3.556 1.00 1.00 H new HETATM 0 H1L RCY A 150 86.270 -3.434 -7.884 1.00 1.00 H new HETATM 1385 C1C RCY A 160 77.158 11.554 -1.294 1.00 1.00 C HETATM 1386 O1G RCY A 160 74.401 11.549 -5.961 1.00 1.00 O HETATM 1387 O1H RCY A 160 76.123 8.938 -2.423 1.00 1.00 O HETATM 1388 O1J RCY A 160 75.771 13.675 0.333 1.00 1.00 O HETATM 1389 C1L RCY A 160 75.037 9.194 -5.774 1.00 1.00 C HETATM 1390 C1M RCY A 160 73.947 12.542 -2.845 1.00 1.00 C HETATM 1391 C1P RCY A 160 74.867 10.636 -5.281 1.00 1.00 C HETATM 1392 C1Q RCY A 160 75.918 9.419 -3.537 1.00 1.00 C HETATM 1393 N1R RCY A 160 75.349 10.799 -3.840 1.00 1.00 N HETATM 1394 C1S RCY A 160 76.188 8.741 -4.868 1.00 1.00 C HETATM 1395 C1U RCY A 160 75.283 12.026 -2.929 1.00 1.00 C HETATM 1396 C1V RCY A 160 74.880 10.492 -0.955 1.00 1.00 C HETATM 1397 N1V RCY A 160 75.158 12.976 -0.793 1.00 1.00 N HETATM 1398 C1W RCY A 160 73.883 13.355 -1.545 1.00 1.00 C HETATM 1399 C1X RCY A 160 75.647 11.708 -1.480 1.00 1.00 C HETATM 1400 C1Y RCY A 160 72.646 12.970 -0.730 1.00 1.00 C HETATM 1401 C1Z RCY A 160 73.896 14.857 -1.828 1.00 1.00 C HETATM 0 H1YB RCY A 160 71.748 13.169 -1.315 1.00 1.00 H new HETATM 0 H1YA RCY A 160 72.690 11.910 -0.481 1.00 1.00 H new HETATM 0 H1VB RCY A 160 75.200 9.600 -1.493 1.00 1.00 H new HETATM 0 H1VA RCY A 160 75.081 10.366 0.109 1.00 1.00 H new HETATM 0 H1CB RCY A 160 77.521 10.742 -1.924 1.00 1.00 H new HETATM 0 H1Y RCY A 160 72.618 13.557 0.188 1.00 1.00 H new HETATM 0 H1V RCY A 160 73.811 10.643 -1.107 1.00 1.00 H new HETATM 0 H1U RCY A 160 75.986 12.730 -3.374 1.00 1.00 H new HETATM 0 H1M RCY A 160 73.217 11.733 -2.834 1.00 1.00 H new HETATM 1404 C1C RCY A 168 72.180 -0.521 2.035 1.00 1.00 C HETATM 1405 O1G RCY A 168 71.387 -3.526 0.643 1.00 1.00 O HETATM 1406 O1H RCY A 168 69.455 0.317 -1.307 1.00 1.00 O HETATM 1407 O1J RCY A 168 71.432 2.217 1.030 1.00 1.00 O HETATM 1408 C1L RCY A 168 71.234 -2.713 -1.660 1.00 1.00 C HETATM 1409 C1M RCY A 168 68.519 -0.212 1.595 1.00 1.00 C HETATM 1410 C1P RCY A 168 70.974 -2.680 -0.149 1.00 1.00 C HETATM 1411 C1Q RCY A 168 69.815 -0.841 -1.100 1.00 1.00 C HETATM 1412 N1R RCY A 168 70.137 -1.466 0.251 1.00 1.00 N HETATM 1413 C1S RCY A 168 70.022 -1.916 -2.153 1.00 1.00 C HETATM 1414 C1U RCY A 168 69.723 -0.991 1.646 1.00 1.00 C HETATM 1415 C1V RCY A 168 70.464 0.178 3.766 1.00 1.00 C HETATM 1416 N1V RCY A 168 70.467 1.223 1.489 1.00 1.00 N HETATM 1417 C1W RCY A 168 68.953 1.226 1.285 1.00 1.00 C HETATM 1418 C1X RCY A 168 70.745 -0.049 2.279 1.00 1.00 C HETATM 1419 C1Y RCY A 168 68.285 2.210 2.249 1.00 1.00 C HETATM 1420 C1Z RCY A 168 68.645 1.598 -0.165 1.00 1.00 C HETATM 0 H1ZB RCY A 168 69.178 0.923 -0.835 1.00 1.00 H new HETATM 0 H1ZA RCY A 168 67.573 1.514 -0.342 1.00 1.00 H new HETATM 0 H1VB RCY A 168 70.614 -0.754 4.311 1.00 1.00 H new HETATM 0 H1VA RCY A 168 71.143 0.938 4.153 1.00 1.00 H new HETATM 0 H1CB RCY A 168 72.315 -1.513 2.467 1.00 1.00 H new HETATM 0 H1Z RCY A 168 68.964 2.623 -0.353 1.00 1.00 H new HETATM 0 H1V RCY A 168 69.435 0.512 3.895 1.00 1.00 H new HETATM 0 H1U RCY A 168 69.614 -1.910 2.222 1.00 1.00 H new HETATM 0 H1S RCY A 168 69.142 -2.552 -2.249 1.00 1.00 H new HETATM 0 H1C RCY A 168 72.876 0.176 2.501 1.00 1.00 H new HETATM 1423 C1C RCY A 173 76.193 -8.742 -2.798 1.00 1.00 C HETATM 1424 O1G RCY A 173 71.938 -6.342 -1.635 1.00 1.00 O HETATM 1425 O1H RCY A 173 74.924 -9.180 0.674 1.00 1.00 O HETATM 1426 O1J RCY A 173 78.502 -6.816 -2.956 1.00 1.00 O HETATM 1427 C1L RCY A 173 71.619 -8.130 0.005 1.00 1.00 C HETATM 1428 C1M RCY A 173 75.543 -5.707 -0.783 1.00 1.00 C HETATM 1429 C1P RCY A 173 72.429 -7.220 -0.928 1.00 1.00 C HETATM 1430 C1Q RCY A 173 73.952 -8.754 0.052 1.00 1.00 C HETATM 1431 N1R RCY A 173 73.922 -7.540 -0.868 1.00 1.00 N HETATM 1432 C1S RCY A 173 72.553 -9.344 0.063 1.00 1.00 C HETATM 1433 C1U RCY A 173 75.093 -6.832 -1.552 1.00 1.00 C HETATM 1434 C1V RCY A 173 76.690 -8.378 -0.338 1.00 1.00 C HETATM 1435 N1V RCY A 173 77.377 -6.671 -2.037 1.00 1.00 N HETATM 1436 C1W RCY A 173 76.986 -5.436 -1.227 1.00 1.00 C HETATM 1437 C1X RCY A 173 76.333 -7.716 -1.671 1.00 1.00 C HETATM 1438 C1Y RCY A 173 77.903 -5.279 -0.011 1.00 1.00 C HETATM 1439 C1Z RCY A 173 77.068 -4.202 -2.126 1.00 1.00 C HETATM 0 H1ZA RCY A 173 76.703 -3.331 -1.582 1.00 1.00 H new HETATM 0 H1VB RCY A 173 75.907 -9.084 -0.061 1.00 1.00 H new HETATM 0 H1VA RCY A 173 77.638 -8.907 -0.437 1.00 1.00 H new HETATM 0 H1LA RCY A 173 71.455 -7.683 0.985 1.00 1.00 H new HETATM 0 H1Z RCY A 173 78.103 -4.037 -2.424 1.00 1.00 H new HETATM 0 H1V RCY A 173 76.780 -7.615 0.435 1.00 1.00 H new HETATM 0 H1S RCY A 173 72.396 -10.006 -0.789 1.00 1.00 H new HETATM 0 H1L RCY A 173 70.638 -8.377 -0.401 1.00 1.00 H new HETATM 1442 C1C RCY A 176 74.489 -5.794 -1.393 1.00 1.00 C HETATM 1443 O1G RCY A 176 79.033 -8.685 -2.599 1.00 1.00 O HETATM 1444 O1H RCY A 176 74.584 -7.435 -3.571 1.00 1.00 O HETATM 1445 O1J RCY A 176 75.694 -3.865 0.580 1.00 1.00 O HETATM 1446 C1L RCY A 176 77.491 -9.255 -4.411 1.00 1.00 C HETATM 1447 C1M RCY A 176 78.099 -6.451 -0.913 1.00 1.00 C HETATM 1448 C1P RCY A 176 77.913 -8.584 -3.098 1.00 1.00 C HETATM 1449 C1Q RCY A 176 75.617 -8.088 -3.433 1.00 1.00 C HETATM 1450 N1R RCY A 176 76.770 -7.776 -2.486 1.00 1.00 N HETATM 1451 C1S RCY A 176 75.980 -9.359 -4.178 1.00 1.00 C HETATM 1452 C1U RCY A 176 76.771 -6.881 -1.245 1.00 1.00 C HETATM 1453 C1V RCY A 176 76.427 -4.868 -2.741 1.00 1.00 C HETATM 1454 N1V RCY A 176 76.472 -4.789 -0.239 1.00 1.00 N HETATM 1455 C1W RCY A 176 77.938 -5.182 -0.067 1.00 1.00 C HETATM 1456 C1X RCY A 176 76.003 -5.577 -1.454 1.00 1.00 C HETATM 1457 C1Y RCY A 176 78.854 -4.070 -0.585 1.00 1.00 C HETATM 1458 C1Z RCY A 176 78.212 -5.461 1.411 1.00 1.00 C HETATM 0 H1ZB RCY A 176 77.511 -6.212 1.776 1.00 1.00 H new HETATM 0 H1ZA RCY A 176 79.231 -5.829 1.529 1.00 1.00 H new HETATM 0 H1YB RCY A 176 79.892 -4.400 -0.533 1.00 1.00 H new HETATM 0 H1YA RCY A 176 78.598 -3.840 -1.619 1.00 1.00 H new HETATM 0 H1VB RCY A 176 76.134 -5.470 -3.601 1.00 1.00 H new HETATM 0 H1MA RCY A 176 78.631 -7.224 -0.358 1.00 1.00 H new HETATM 0 H1LA RCY A 176 77.738 -8.653 -5.286 1.00 1.00 H new HETATM 0 H1Z RCY A 176 78.090 -4.542 1.984 1.00 1.00 H new HETATM 0 H1Y RCY A 176 78.726 -3.178 0.028 1.00 1.00 H new HETATM 0 H1L RCY A 176 77.960 -10.229 -4.552 1.00 1.00 H new HETATM 0 H1C RCY A 176 73.979 -4.843 -1.546 1.00 1.00 H new HETATM 1461 C1C RCY A 187 81.778 -8.102 -1.845 1.00 1.00 C HETATM 1462 O1G RCY A 187 84.889 -11.576 0.825 1.00 1.00 O HETATM 1463 O1H RCY A 187 82.301 -7.629 0.988 1.00 1.00 O HETATM 1464 O1J RCY A 187 82.438 -9.072 -4.619 1.00 1.00 O HETATM 1465 C1L RCY A 187 83.786 -10.370 2.647 1.00 1.00 C HETATM 1466 C1M RCY A 187 84.637 -10.452 -1.795 1.00 1.00 C HETATM 1467 C1P RCY A 187 84.232 -10.605 1.198 1.00 1.00 C HETATM 1468 C1Q RCY A 187 83.112 -8.514 1.257 1.00 1.00 C HETATM 1469 N1R RCY A 187 83.759 -9.483 0.275 1.00 1.00 N HETATM 1470 C1S RCY A 187 83.653 -8.843 2.636 1.00 1.00 C HETATM 1471 C1U RCY A 187 83.895 -9.354 -1.243 1.00 1.00 C HETATM 1472 C1V RCY A 187 81.714 -10.614 -1.508 1.00 1.00 C HETATM 1473 N1V RCY A 187 83.023 -9.622 -3.399 1.00 1.00 N HETATM 1474 C1W RCY A 187 84.245 -10.530 -3.276 1.00 1.00 C HETATM 1475 C1X RCY A 187 82.550 -9.417 -1.966 1.00 1.00 C HETATM 1476 C1Y RCY A 187 83.885 -11.967 -3.663 1.00 1.00 C HETATM 1477 C1Z RCY A 187 85.359 -9.994 -4.175 1.00 1.00 C HETATM 0 H1ZB RCY A 187 85.559 -8.952 -3.924 1.00 1.00 H new HETATM 0 H1ZA RCY A 187 86.263 -10.584 -4.025 1.00 1.00 H new HETATM 0 H1YB RCY A 187 84.743 -12.616 -3.490 1.00 1.00 H new HETATM 0 H1YA RCY A 187 83.045 -12.307 -3.057 1.00 1.00 H new HETATM 0 H1VB RCY A 187 81.429 -10.481 -0.464 1.00 1.00 H new HETATM 0 H1VA RCY A 187 80.817 -10.688 -2.123 1.00 1.00 H new HETATM 0 H1MA RCY A 187 85.710 -10.292 -1.684 1.00 1.00 H new HETATM 0 H1LA RCY A 187 82.846 -10.869 2.880 1.00 1.00 H new HETATM 0 H1CB RCY A 187 81.591 -7.885 -0.793 1.00 1.00 H new HETATM 0 H1CA RCY A 187 82.364 -7.294 -2.283 1.00 1.00 H new HETATM 0 H1Z RCY A 187 85.050 -10.063 -5.218 1.00 1.00 H new HETATM 0 H1Y RCY A 187 83.610 -12.002 -4.717 1.00 1.00 H new HETATM 0 H1V RCY A 187 82.300 -11.527 -1.610 1.00 1.00 H new HETATM 0 H1U RCY A 187 84.384 -8.391 -1.389 1.00 1.00 H new HETATM 0 H1S RCY A 187 84.615 -8.360 2.810 1.00 1.00 H new HETATM 0 H1M RCY A 187 84.398 -11.382 -1.279 1.00 1.00 H new HETATM 0 H1L RCY A 187 84.521 -10.720 3.372 1.00 1.00 H new HETATM 0 H1C RCY A 187 80.828 -8.188 -2.372 1.00 1.00 H new