USER MOD reduce.3.24.130724 H: found=0, std=0, add=801, 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 17 MET H : A 17 MET N : A 121 RCY C1W :(H bumps) USER MOD NoAdj-H: A 18 GLY H : A 18 GLY N : A 121 RCY N1R :(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 RCYH1ZB : A 121 RCY C1Z : A 17 MET C :(H bumps) USER MOD NoAdj-H: A 121 RCYH1ZA : A 121 RCY C1Z : A 17 MET C :(H bumps) USER MOD NoAdj-H: A 121 RCYH1YB : A 121 RCY C1Y : A 16 VAL C :(H bumps) USER MOD NoAdj-H: A 121 RCYH1YA : A 121 RCY C1Y : A 16 VAL C :(H bumps) USER MOD NoAdj-H: A 121 RCYH1SA : A 121 RCY C1S : A 21 CYS SG :(H bumps) USER MOD NoAdj-H: A 121 RCY H1Z : A 121 RCY C1Z : A 17 MET CA :(H bumps) USER MOD NoAdj-H: A 121 RCY H1M : A 121 RCY C1M : A 16 VAL C :(H bumps) USER MOD NoAdj-H: A 130 RCYH1SA : A 130 RCY C1S : A 30 CYS SG :(H bumps) USER MOD NoAdj-H: A 138 RCYH1SA : A 138 RCY C1S : A 38 CYS SG :(H bumps) USER MOD NoAdj-H: A 150 RCYH1SA : A 150 RCY C1S : A 50 CYS SG :(H bumps) USER MOD NoAdj-H: A 160 RCYH1SA : A 160 RCY C1S : A 60 CYS SG :(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 RCYH1LA : A 168 RCY C1L : A 70 TRP CZ2 :(H bumps) USER MOD NoAdj-H: A 168 RCY H1L : A 168 RCY C1L : A 70 TRP CZ2 :(H bumps) USER MOD NoAdj-H: A 173 RCYH1VB : A 173 RCY C1V : A 176 RCY N1R :(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 RCYH1CB : A 173 RCY C1C : A 176 RCY N1V :(H bumps) USER MOD NoAdj-H: A 173 RCYH1CA : A 173 RCY C1C : A 176 RCY C1U :(H bumps) USER MOD NoAdj-H: A 173 RCY H1V : A 173 RCY C1V : A 176 RCY C1Q :(H bumps) USER MOD NoAdj-H: A 173 RCY H1U : A 173 RCY C1U : A 176 RCY C1U :(H bumps) USER MOD NoAdj-H: A 173 RCY H1C : A 173 RCY C1C : A 176 RCY N1V :(H bumps) USER MOD NoAdj-H: A 176 RCYH1VA : A 176 RCY C1V : A 187 RCY C1V :(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 C1X :(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 187 RCYH1VB : A 187 RCY C1V : A 176 RCY C1V :(H bumps) USER MOD NoAdj-H: A 187 RCYH1VA : A 187 RCY C1V : A 176 RCY C1V :(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+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= -0.47! C(o=-0.47!,f=-4.9!) USER MOD Single : A 7 LYS NZ :NH3+ -177:sc= -0.174 (180deg=-0.202) USER MOD Single : A 12 SER OG : rot 180:sc= -0.107 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.307 USER MOD Single : A 17 MET CE :methyl 175:sc= -4.28! (180deg=-4.43!) USER MOD Single : A 22 THR OG1 : rot 45:sc= 0.405 USER MOD Single : A 25 LYS NZ :NH3+ -144:sc= 0 (180deg=-0.0881) USER MOD Single : A 29 LYS NZ :NH3+ -157:sc= -0.0535 (180deg=-0.444) USER MOD Single : A 31 LYS NZ :NH3+ 162:sc= 1.21 (180deg=0.836) USER MOD Single : A 32 GLN : amide:sc= -3.04! C(o=-3!,f=-15!) USER MOD Single : A 34 GLN : amide:sc= -0.0404 X(o=-0.04,f=0) USER MOD Single : A 35 THR OG1 : rot -120:sc= -1.26 USER MOD Single : A 37 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 39 LYS NZ :NH3+ -158:sc= 0 (180deg=-0.0203) USER MOD Single : A 40 SER OG : rot -43:sc= 0.919 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 162:sc= -0.108 (180deg=-0.775) USER MOD Single : A 45 LYS NZ :NH3+ -162:sc= -0.932 (180deg=-1.56) USER MOD Single : A 48 GLN : amide:sc= -0.0374 K(o=-0.037,f=-1.7!) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot -82:sc= -1.78! USER MOD Single : A 65 THR OG1 : rot 94:sc= -1.48! USER MOD Single : A 74 ASN : amide:sc= -2.94! C(o=-2.9!,f=-2.9!) USER MOD Single : A 75 HIS : no HD1:sc= 0.0991 K(o=0.099,f=-3.1!) USER MOD Single : A 79 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 83 GLN : amide:sc= -0.143 K(o=-0.14,f=-1.4!) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 68.812 -14.058 -19.868 1.00 1.00 N ATOM 2 CA MET A 1 69.067 -13.486 -18.515 1.00 1.00 C ATOM 3 C MET A 1 69.387 -11.995 -18.644 1.00 1.00 C ATOM 4 O MET A 1 70.155 -11.586 -19.491 1.00 1.00 O ATOM 5 CB MET A 1 70.251 -14.209 -17.870 1.00 1.00 C ATOM 6 CG MET A 1 70.337 -13.830 -16.390 1.00 1.00 C ATOM 7 SD MET A 1 69.023 -14.672 -15.474 1.00 1.00 S ATOM 8 CE MET A 1 69.092 -13.646 -13.984 1.00 1.00 C ATOM 0 H1 MET A 1 68.594 -15.071 -19.781 1.00 1.00 H new ATOM 0 H2 MET A 1 68.007 -13.567 -20.306 1.00 1.00 H new ATOM 0 H3 MET A 1 69.657 -13.935 -20.462 1.00 1.00 H new ATOM 0 HA MET A 1 68.181 -13.615 -17.893 1.00 1.00 H new ATOM 0 HB2 MET A 1 70.132 -15.288 -17.974 1.00 1.00 H new ATOM 0 HB3 MET A 1 71.176 -13.940 -18.379 1.00 1.00 H new ATOM 0 HG2 MET A 1 71.311 -14.109 -15.988 1.00 1.00 H new ATOM 0 HG3 MET A 1 70.242 -12.750 -16.274 1.00 1.00 H new ATOM 0 HE1 MET A 1 68.349 -13.995 -13.267 1.00 1.00 H new ATOM 0 HE2 MET A 1 70.085 -13.715 -13.540 1.00 1.00 H new ATOM 0 HE3 MET A 1 68.884 -12.609 -14.246 1.00 1.00 H new ATOM 17 N ASN A 2 68.803 -11.180 -17.808 1.00 1.00 N ATOM 18 CA ASN A 2 69.074 -9.716 -17.882 1.00 1.00 C ATOM 19 C ASN A 2 68.594 -9.045 -16.593 1.00 1.00 C ATOM 20 O ASN A 2 68.896 -9.486 -15.502 1.00 1.00 O ATOM 21 CB ASN A 2 68.329 -9.119 -19.078 1.00 1.00 C ATOM 22 CG ASN A 2 68.858 -7.712 -19.360 1.00 1.00 C ATOM 23 OD1 ASN A 2 68.265 -6.733 -18.951 1.00 1.00 O ATOM 24 ND2 ASN A 2 69.959 -7.567 -20.046 1.00 1.00 N ATOM 0 H ASN A 2 68.150 -11.464 -17.078 1.00 1.00 H new ATOM 0 HA ASN A 2 70.144 -9.549 -18.002 1.00 1.00 H new ATOM 0 HB2 ASN A 2 68.463 -9.752 -19.956 1.00 1.00 H new ATOM 0 HB3 ASN A 2 67.259 -9.082 -18.872 1.00 1.00 H new ATOM 0 HD21 ASN A 2 70.321 -6.633 -20.238 1.00 1.00 H new ATOM 0 HD22 ASN A 2 70.458 -8.388 -20.390 1.00 1.00 H new ATOM 31 N LEU A 3 67.847 -7.981 -16.709 1.00 1.00 N ATOM 32 CA LEU A 3 67.348 -7.284 -15.490 1.00 1.00 C ATOM 33 C LEU A 3 66.388 -8.206 -14.734 1.00 1.00 C ATOM 34 O LEU A 3 66.642 -9.383 -14.574 1.00 1.00 O ATOM 35 CB LEU A 3 66.614 -6.002 -15.900 1.00 1.00 C ATOM 36 CG LEU A 3 66.517 -5.059 -14.699 1.00 1.00 C ATOM 37 CD1 LEU A 3 67.769 -4.182 -14.635 1.00 1.00 C ATOM 38 CD2 LEU A 3 65.280 -4.170 -14.850 1.00 1.00 C ATOM 0 H LEU A 3 67.561 -7.564 -17.595 1.00 1.00 H new ATOM 0 HA LEU A 3 68.189 -7.029 -14.845 1.00 1.00 H new ATOM 0 HB2 LEU A 3 67.144 -5.513 -16.717 1.00 1.00 H new ATOM 0 HB3 LEU A 3 65.616 -6.244 -16.267 1.00 1.00 H new ATOM 0 HG LEU A 3 66.437 -5.644 -13.783 1.00 1.00 H new ATOM 0 HD11 LEU A 3 67.699 -3.510 -13.779 1.00 1.00 H new ATOM 0 HD12 LEU A 3 68.651 -4.814 -14.530 1.00 1.00 H new ATOM 0 HD13 LEU A 3 67.850 -3.596 -15.551 1.00 1.00 H new ATOM 0 HD21 LEU A 3 65.209 -3.497 -13.995 1.00 1.00 H new ATOM 0 HD22 LEU A 3 65.362 -3.585 -15.766 1.00 1.00 H new ATOM 0 HD23 LEU A 3 64.387 -4.794 -14.896 1.00 1.00 H new ATOM 50 N GLU A 4 65.287 -7.679 -14.267 1.00 1.00 N ATOM 51 CA GLU A 4 64.308 -8.523 -13.521 1.00 1.00 C ATOM 52 C GLU A 4 63.149 -8.903 -14.455 1.00 1.00 C ATOM 53 O GLU A 4 62.504 -8.042 -15.020 1.00 1.00 O ATOM 54 CB GLU A 4 63.760 -7.726 -12.334 1.00 1.00 C ATOM 55 CG GLU A 4 64.869 -7.524 -11.299 1.00 1.00 C ATOM 56 CD GLU A 4 64.429 -6.474 -10.277 1.00 1.00 C ATOM 57 OE1 GLU A 4 63.238 -6.221 -10.193 1.00 1.00 O ATOM 58 OE2 GLU A 4 65.290 -5.941 -9.596 1.00 1.00 O ATOM 0 H GLU A 4 65.023 -6.699 -14.370 1.00 1.00 H new ATOM 0 HA GLU A 4 64.800 -9.427 -13.162 1.00 1.00 H new ATOM 0 HB2 GLU A 4 63.384 -6.761 -12.673 1.00 1.00 H new ATOM 0 HB3 GLU A 4 62.920 -8.255 -11.884 1.00 1.00 H new ATOM 0 HG2 GLU A 4 65.088 -8.466 -10.797 1.00 1.00 H new ATOM 0 HG3 GLU A 4 65.787 -7.205 -11.792 1.00 1.00 H new ATOM 65 N PRO A 5 62.879 -10.177 -14.622 1.00 1.00 N ATOM 66 CA PRO A 5 61.775 -10.647 -15.508 1.00 1.00 C ATOM 67 C PRO A 5 60.491 -9.823 -15.322 1.00 1.00 C ATOM 68 O PRO A 5 60.243 -9.289 -14.260 1.00 1.00 O ATOM 69 CB PRO A 5 61.552 -12.094 -15.064 1.00 1.00 C ATOM 70 CG PRO A 5 62.877 -12.545 -14.541 1.00 1.00 C ATOM 71 CD PRO A 5 63.587 -11.303 -13.991 1.00 1.00 C ATOM 0 HA PRO A 5 62.028 -10.548 -16.564 1.00 1.00 H new ATOM 0 HB2 PRO A 5 60.782 -12.157 -14.295 1.00 1.00 H new ATOM 0 HB3 PRO A 5 61.223 -12.716 -15.896 1.00 1.00 H new ATOM 0 HG2 PRO A 5 62.749 -13.294 -13.759 1.00 1.00 H new ATOM 0 HG3 PRO A 5 63.467 -13.008 -15.332 1.00 1.00 H new ATOM 0 HD2 PRO A 5 63.523 -11.256 -12.904 1.00 1.00 H new ATOM 0 HD3 PRO A 5 64.646 -11.302 -14.248 1.00 1.00 H new ATOM 79 N PRO A 6 59.679 -9.724 -16.346 1.00 1.00 N ATOM 80 CA PRO A 6 58.402 -8.957 -16.286 1.00 1.00 C ATOM 81 C PRO A 6 57.630 -9.206 -14.984 1.00 1.00 C ATOM 82 O PRO A 6 57.749 -10.250 -14.377 1.00 1.00 O ATOM 83 CB PRO A 6 57.611 -9.485 -17.484 1.00 1.00 C ATOM 84 CG PRO A 6 58.643 -9.927 -18.470 1.00 1.00 C ATOM 85 CD PRO A 6 59.886 -10.332 -17.670 1.00 1.00 C ATOM 0 HA PRO A 6 58.574 -7.881 -16.313 1.00 1.00 H new ATOM 0 HB2 PRO A 6 56.963 -10.312 -17.194 1.00 1.00 H new ATOM 0 HB3 PRO A 6 56.970 -8.710 -17.905 1.00 1.00 H new ATOM 0 HG2 PRO A 6 58.276 -10.765 -19.062 1.00 1.00 H new ATOM 0 HG3 PRO A 6 58.879 -9.123 -19.167 1.00 1.00 H new ATOM 0 HD2 PRO A 6 59.979 -11.416 -17.600 1.00 1.00 H new ATOM 0 HD3 PRO A 6 60.798 -9.964 -18.139 1.00 1.00 H new ATOM 93 N LYS A 7 56.840 -8.247 -14.565 1.00 1.00 N ATOM 94 CA LYS A 7 56.033 -8.384 -13.307 1.00 1.00 C ATOM 95 C LYS A 7 56.662 -9.411 -12.354 1.00 1.00 C ATOM 96 O LYS A 7 56.521 -10.606 -12.521 1.00 1.00 O ATOM 97 CB LYS A 7 54.594 -8.797 -13.661 1.00 1.00 C ATOM 98 CG LYS A 7 54.567 -10.264 -14.094 1.00 1.00 C ATOM 99 CD LYS A 7 53.384 -10.498 -15.035 1.00 1.00 C ATOM 100 CE LYS A 7 53.809 -10.199 -16.474 1.00 1.00 C ATOM 101 NZ LYS A 7 54.576 -11.355 -17.016 1.00 1.00 N ATOM 0 H LYS A 7 56.717 -7.358 -15.050 1.00 1.00 H new ATOM 0 HA LYS A 7 56.019 -7.421 -12.797 1.00 1.00 H new ATOM 0 HB2 LYS A 7 53.942 -8.650 -12.800 1.00 1.00 H new ATOM 0 HB3 LYS A 7 54.211 -8.165 -14.462 1.00 1.00 H new ATOM 0 HG2 LYS A 7 55.500 -10.523 -14.594 1.00 1.00 H new ATOM 0 HG3 LYS A 7 54.483 -10.910 -13.220 1.00 1.00 H new ATOM 0 HD2 LYS A 7 53.039 -11.529 -14.953 1.00 1.00 H new ATOM 0 HD3 LYS A 7 52.548 -9.859 -14.751 1.00 1.00 H new ATOM 0 HE2 LYS A 7 52.931 -10.010 -17.092 1.00 1.00 H new ATOM 0 HE3 LYS A 7 54.420 -9.297 -16.504 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 54.909 -11.132 -17.976 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 55.393 -11.548 -16.402 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 53.962 -12.194 -17.049 1.00 1.00 H new ATOM 115 N ALA A 8 57.354 -8.951 -11.348 1.00 1.00 N ATOM 116 CA ALA A 8 57.986 -9.896 -10.383 1.00 1.00 C ATOM 117 C ALA A 8 56.982 -10.248 -9.283 1.00 1.00 C ATOM 118 O ALA A 8 55.821 -10.492 -9.543 1.00 1.00 O ATOM 119 CB ALA A 8 59.217 -9.237 -9.757 1.00 1.00 C ATOM 0 H ALA A 8 57.509 -7.962 -11.152 1.00 1.00 H new ATOM 0 HA ALA A 8 58.286 -10.804 -10.906 1.00 1.00 H new ATOM 0 HB1 ALA A 8 59.680 -9.927 -9.051 1.00 1.00 H new ATOM 0 HB2 ALA A 8 59.932 -8.985 -10.540 1.00 1.00 H new ATOM 0 HB3 ALA A 8 58.917 -8.329 -9.233 1.00 1.00 H new ATOM 125 N GLU A 9 57.422 -10.275 -8.053 1.00 1.00 N ATOM 126 CA GLU A 9 56.498 -10.608 -6.931 1.00 1.00 C ATOM 127 C GLU A 9 56.884 -9.784 -5.701 1.00 1.00 C ATOM 128 O GLU A 9 56.713 -10.208 -4.576 1.00 1.00 O ATOM 129 CB GLU A 9 56.610 -12.102 -6.605 1.00 1.00 C ATOM 130 CG GLU A 9 55.360 -12.555 -5.848 1.00 1.00 C ATOM 131 CD GLU A 9 55.443 -14.059 -5.579 1.00 1.00 C ATOM 132 OE1 GLU A 9 55.146 -14.820 -6.486 1.00 1.00 O ATOM 133 OE2 GLU A 9 55.801 -14.424 -4.472 1.00 1.00 O ATOM 0 H GLU A 9 58.384 -10.080 -7.777 1.00 1.00 H new ATOM 0 HA GLU A 9 55.472 -10.377 -7.218 1.00 1.00 H new ATOM 0 HB2 GLU A 9 56.720 -12.678 -7.524 1.00 1.00 H new ATOM 0 HB3 GLU A 9 57.500 -12.288 -6.003 1.00 1.00 H new ATOM 0 HG2 GLU A 9 55.274 -12.011 -4.907 1.00 1.00 H new ATOM 0 HG3 GLU A 9 54.467 -12.328 -6.430 1.00 1.00 H new ATOM 140 N CYS A 10 57.408 -8.606 -5.910 1.00 1.00 N ATOM 141 CA CYS A 10 57.811 -7.751 -4.757 1.00 1.00 C ATOM 142 C CYS A 10 57.631 -6.278 -5.133 1.00 1.00 C ATOM 143 O CYS A 10 58.420 -5.431 -4.761 1.00 1.00 O ATOM 144 CB CYS A 10 59.279 -8.020 -4.412 1.00 1.00 C ATOM 145 SG CYS A 10 59.730 -9.686 -4.958 1.00 1.00 S ATOM 0 H CYS A 10 57.574 -8.199 -6.830 1.00 1.00 H new ATOM 0 HA CYS A 10 57.189 -7.983 -3.892 1.00 1.00 H new ATOM 0 HB2 CYS A 10 59.919 -7.281 -4.895 1.00 1.00 H new ATOM 0 HB3 CYS A 10 59.435 -7.923 -3.338 1.00 1.00 H new ATOM 150 N ARG A 11 56.600 -5.967 -5.870 1.00 1.00 N ATOM 151 CA ARG A 11 56.368 -4.551 -6.274 1.00 1.00 C ATOM 152 C ARG A 11 56.159 -3.690 -5.026 1.00 1.00 C ATOM 153 O ARG A 11 56.816 -3.867 -4.020 1.00 1.00 O ATOM 154 CB ARG A 11 55.122 -4.472 -7.163 1.00 1.00 C ATOM 155 CG ARG A 11 55.075 -3.114 -7.867 1.00 1.00 C ATOM 156 CD ARG A 11 55.332 -3.305 -9.363 1.00 1.00 C ATOM 157 NE ARG A 11 56.520 -4.185 -9.554 1.00 1.00 N ATOM 158 CZ ARG A 11 56.917 -4.491 -10.759 1.00 1.00 C ATOM 159 NH1 ARG A 11 56.275 -4.027 -11.796 1.00 1.00 N ATOM 160 NH2 ARG A 11 57.957 -5.262 -10.926 1.00 1.00 N ATOM 0 H ARG A 11 55.907 -6.634 -6.210 1.00 1.00 H new ATOM 0 HA ARG A 11 57.234 -4.185 -6.826 1.00 1.00 H new ATOM 0 HB2 ARG A 11 55.138 -5.274 -7.901 1.00 1.00 H new ATOM 0 HB3 ARG A 11 54.224 -4.611 -6.561 1.00 1.00 H new ATOM 0 HG2 ARG A 11 54.103 -2.645 -7.711 1.00 1.00 H new ATOM 0 HG3 ARG A 11 55.823 -2.446 -7.441 1.00 1.00 H new ATOM 0 HD2 ARG A 11 54.457 -3.748 -9.840 1.00 1.00 H new ATOM 0 HD3 ARG A 11 55.500 -2.340 -9.840 1.00 1.00 H new ATOM 0 HE ARG A 11 57.022 -4.548 -8.744 1.00 1.00 H new ATOM 0 HH11 ARG A 11 55.462 -3.425 -11.665 1.00 1.00 H new ATOM 0 HH12 ARG A 11 56.586 -4.267 -12.737 1.00 1.00 H new ATOM 0 HH21 ARG A 11 58.458 -5.625 -10.115 1.00 1.00 H new ATOM 0 HH22 ARG A 11 58.268 -5.502 -11.867 1.00 1.00 H new ATOM 174 N SER A 12 55.247 -2.759 -5.083 1.00 1.00 N ATOM 175 CA SER A 12 54.994 -1.887 -3.902 1.00 1.00 C ATOM 176 C SER A 12 53.750 -1.033 -4.158 1.00 1.00 C ATOM 177 O SER A 12 52.683 -1.542 -4.437 1.00 1.00 O ATOM 178 CB SER A 12 56.201 -0.977 -3.672 1.00 1.00 C ATOM 179 OG SER A 12 55.994 -0.212 -2.493 1.00 1.00 O ATOM 0 H SER A 12 54.665 -2.564 -5.898 1.00 1.00 H new ATOM 0 HA SER A 12 54.834 -2.506 -3.019 1.00 1.00 H new ATOM 0 HB2 SER A 12 57.108 -1.574 -3.577 1.00 1.00 H new ATOM 0 HB3 SER A 12 56.342 -0.317 -4.528 1.00 1.00 H new ATOM 0 HG SER A 12 56.767 0.371 -2.342 1.00 1.00 H new ATOM 185 N ALA A 13 53.879 0.263 -4.065 1.00 1.00 N ATOM 186 CA ALA A 13 52.706 1.152 -4.303 1.00 1.00 C ATOM 187 C ALA A 13 51.647 0.906 -3.225 1.00 1.00 C ATOM 188 O ALA A 13 50.675 1.628 -3.121 1.00 1.00 O ATOM 189 CB ALA A 13 52.113 0.858 -5.685 1.00 1.00 C ATOM 0 H ALA A 13 54.748 0.745 -3.834 1.00 1.00 H new ATOM 0 HA ALA A 13 53.026 2.193 -4.261 1.00 1.00 H new ATOM 0 HB1 ALA A 13 51.255 1.508 -5.859 1.00 1.00 H new ATOM 0 HB2 ALA A 13 52.867 1.040 -6.451 1.00 1.00 H new ATOM 0 HB3 ALA A 13 51.794 -0.183 -5.730 1.00 1.00 H new ATOM 195 N THR A 14 51.825 -0.108 -2.421 1.00 1.00 N ATOM 196 CA THR A 14 50.829 -0.400 -1.350 1.00 1.00 C ATOM 197 C THR A 14 51.284 0.253 -0.044 1.00 1.00 C ATOM 198 O THR A 14 50.803 1.302 0.338 1.00 1.00 O ATOM 199 CB THR A 14 50.721 -1.914 -1.153 1.00 1.00 C ATOM 200 OG1 THR A 14 52.022 -2.484 -1.154 1.00 1.00 O ATOM 201 CG2 THR A 14 49.895 -2.521 -2.288 1.00 1.00 C ATOM 0 H THR A 14 52.619 -0.748 -2.460 1.00 1.00 H new ATOM 0 HA THR A 14 49.856 -0.002 -1.638 1.00 1.00 H new ATOM 0 HB THR A 14 50.233 -2.123 -0.201 1.00 1.00 H new ATOM 0 HG1 THR A 14 51.955 -3.453 -1.026 1.00 1.00 H new ATOM 0 HG21 THR A 14 49.819 -3.599 -2.146 1.00 1.00 H new ATOM 0 HG22 THR A 14 48.897 -2.083 -2.286 1.00 1.00 H new ATOM 0 HG23 THR A 14 50.380 -2.314 -3.242 1.00 1.00 H new ATOM 209 N ARG A 15 52.207 -0.359 0.646 1.00 1.00 N ATOM 210 CA ARG A 15 52.692 0.225 1.927 1.00 1.00 C ATOM 211 C ARG A 15 53.880 -0.591 2.441 1.00 1.00 C ATOM 212 O ARG A 15 54.244 -0.514 3.598 1.00 1.00 O ATOM 213 CB ARG A 15 51.564 0.198 2.963 1.00 1.00 C ATOM 214 CG ARG A 15 51.036 -1.230 3.109 1.00 1.00 C ATOM 215 CD ARG A 15 49.637 -1.197 3.728 1.00 1.00 C ATOM 216 NE ARG A 15 49.130 -2.590 3.885 1.00 1.00 N ATOM 217 CZ ARG A 15 48.707 -3.252 2.843 1.00 1.00 C ATOM 218 NH1 ARG A 15 48.727 -2.694 1.664 1.00 1.00 N ATOM 219 NH2 ARG A 15 48.263 -4.471 2.981 1.00 1.00 N ATOM 0 H ARG A 15 52.646 -1.239 0.377 1.00 1.00 H new ATOM 0 HA ARG A 15 53.004 1.256 1.761 1.00 1.00 H new ATOM 0 HB2 ARG A 15 51.930 0.561 3.923 1.00 1.00 H new ATOM 0 HB3 ARG A 15 50.758 0.865 2.656 1.00 1.00 H new ATOM 0 HG2 ARG A 15 51.003 -1.718 2.135 1.00 1.00 H new ATOM 0 HG3 ARG A 15 51.709 -1.815 3.736 1.00 1.00 H new ATOM 0 HD2 ARG A 15 49.668 -0.699 4.697 1.00 1.00 H new ATOM 0 HD3 ARG A 15 48.961 -0.622 3.095 1.00 1.00 H new ATOM 0 HE ARG A 15 49.114 -3.026 4.807 1.00 1.00 H new ATOM 0 HH11 ARG A 15 49.073 -1.741 1.557 1.00 1.00 H new ATOM 0 HH12 ARG A 15 48.396 -3.211 0.849 1.00 1.00 H new ATOM 0 HH21 ARG A 15 48.247 -4.906 3.903 1.00 1.00 H new ATOM 0 HH22 ARG A 15 47.932 -4.989 2.167 1.00 1.00 H new ATOM 233 N VAL A 16 54.488 -1.371 1.589 1.00 1.00 N ATOM 234 CA VAL A 16 55.654 -2.193 2.023 1.00 1.00 C ATOM 235 C VAL A 16 55.262 -3.033 3.242 1.00 1.00 C ATOM 236 O VAL A 16 54.212 -2.850 3.824 1.00 1.00 O ATOM 237 CB VAL A 16 56.822 -1.271 2.385 1.00 1.00 C ATOM 238 CG1 VAL A 16 58.046 -2.114 2.748 1.00 1.00 C ATOM 239 CG2 VAL A 16 57.156 -0.379 1.187 1.00 1.00 C ATOM 0 H VAL A 16 54.227 -1.475 0.608 1.00 1.00 H new ATOM 0 HA VAL A 16 55.955 -2.855 1.211 1.00 1.00 H new ATOM 0 HB VAL A 16 56.544 -0.650 3.236 1.00 1.00 H new ATOM 0 HG11 VAL A 16 58.877 -1.457 3.005 1.00 1.00 H new ATOM 0 HG12 VAL A 16 57.809 -2.751 3.600 1.00 1.00 H new ATOM 0 HG13 VAL A 16 58.325 -2.735 1.897 1.00 1.00 H new ATOM 0 HG21 VAL A 16 57.987 0.278 1.443 1.00 1.00 H new ATOM 0 HG22 VAL A 16 57.434 -1.001 0.336 1.00 1.00 H new ATOM 0 HG23 VAL A 16 56.285 0.223 0.927 1.00 1.00 H new ATOM 249 N MET A 17 56.099 -3.956 3.630 1.00 1.00 N ATOM 250 CA MET A 17 55.776 -4.810 4.808 1.00 1.00 C ATOM 251 C MET A 17 55.459 -3.922 6.014 1.00 1.00 C ATOM 252 O MET A 17 54.320 -3.576 6.259 1.00 1.00 O ATOM 253 CB MET A 17 56.976 -5.703 5.133 1.00 1.00 C ATOM 254 CG MET A 17 56.653 -6.571 6.351 1.00 1.00 C ATOM 255 SD MET A 17 58.001 -7.747 6.628 1.00 1.00 S ATOM 256 CE MET A 17 58.964 -6.723 7.767 1.00 1.00 C ATOM 0 HA MET A 17 54.910 -5.431 4.579 1.00 1.00 H new ATOM 0 HB2 MET A 17 57.215 -6.334 4.277 1.00 1.00 H new ATOM 0 HB3 MET A 17 57.855 -5.090 5.333 1.00 1.00 H new ATOM 0 HG2 MET A 17 56.516 -5.944 7.232 1.00 1.00 H new ATOM 0 HG3 MET A 17 55.717 -7.106 6.192 1.00 1.00 H new ATOM 0 HE1 MET A 17 59.813 -7.295 8.142 1.00 1.00 H new ATOM 0 HE2 MET A 17 59.326 -5.838 7.243 1.00 1.00 H new ATOM 0 HE3 MET A 17 58.334 -6.418 8.603 1.00 1.00 H new ATOM 266 N GLY A 18 56.456 -3.553 6.770 1.00 1.00 N ATOM 267 CA GLY A 18 56.210 -2.691 7.961 1.00 1.00 C ATOM 268 C GLY A 18 55.602 -3.534 9.082 1.00 1.00 C ATOM 269 O GLY A 18 56.286 -4.285 9.749 1.00 1.00 O ATOM 0 HA2 GLY A 18 57.144 -2.240 8.296 1.00 1.00 H new ATOM 0 HA3 GLY A 18 55.537 -1.874 7.700 1.00 1.00 H new ATOM 273 N GLY A 19 54.320 -3.419 9.293 1.00 1.00 N ATOM 274 CA GLY A 19 53.663 -4.216 10.368 1.00 1.00 C ATOM 275 C GLY A 19 54.306 -3.889 11.725 1.00 1.00 C ATOM 276 O GLY A 19 54.194 -2.781 12.210 1.00 1.00 O ATOM 0 H GLY A 19 53.697 -2.806 8.766 1.00 1.00 H new ATOM 0 HA2 GLY A 19 52.596 -3.994 10.398 1.00 1.00 H new ATOM 0 HA3 GLY A 19 53.761 -5.281 10.156 1.00 1.00 H new ATOM 280 N PRO A 20 54.970 -4.841 12.342 1.00 1.00 N ATOM 281 CA PRO A 20 55.624 -4.627 13.667 1.00 1.00 C ATOM 282 C PRO A 20 56.912 -3.800 13.562 1.00 1.00 C ATOM 283 O PRO A 20 57.803 -3.921 14.378 1.00 1.00 O ATOM 284 CB PRO A 20 55.933 -6.046 14.150 1.00 1.00 C ATOM 285 CG PRO A 20 56.080 -6.855 12.903 1.00 1.00 C ATOM 286 CD PRO A 20 55.170 -6.214 11.850 1.00 1.00 C ATOM 0 HA PRO A 20 54.984 -4.063 14.346 1.00 1.00 H new ATOM 0 HB2 PRO A 20 56.845 -6.070 14.746 1.00 1.00 H new ATOM 0 HB3 PRO A 20 55.131 -6.432 14.779 1.00 1.00 H new ATOM 0 HG2 PRO A 20 57.117 -6.861 12.566 1.00 1.00 H new ATOM 0 HG3 PRO A 20 55.796 -7.892 13.079 1.00 1.00 H new ATOM 0 HD2 PRO A 20 55.634 -6.221 10.864 1.00 1.00 H new ATOM 0 HD3 PRO A 20 54.224 -6.748 11.761 1.00 1.00 H new ATOM 294 N CYS A 21 57.013 -2.958 12.567 1.00 1.00 N ATOM 295 CA CYS A 21 58.238 -2.121 12.415 1.00 1.00 C ATOM 296 C CYS A 21 57.831 -0.696 12.034 1.00 1.00 C ATOM 297 O CYS A 21 56.956 -0.489 11.217 1.00 1.00 O ATOM 298 CB CYS A 21 59.134 -2.723 11.323 1.00 1.00 C ATOM 299 SG CYS A 21 59.194 -1.604 9.901 1.00 1.00 S ATOM 0 H CYS A 21 56.299 -2.814 11.853 1.00 1.00 H new ATOM 0 HA CYS A 21 58.790 -2.097 13.355 1.00 1.00 H new ATOM 0 HB2 CYS A 21 60.139 -2.887 11.712 1.00 1.00 H new ATOM 0 HB3 CYS A 21 58.748 -3.696 11.017 1.00 1.00 H new ATOM 304 N THR A 22 58.454 0.289 12.624 1.00 1.00 N ATOM 305 CA THR A 22 58.101 1.703 12.302 1.00 1.00 C ATOM 306 C THR A 22 58.990 2.211 11.157 1.00 1.00 C ATOM 307 O THR A 22 60.181 2.380 11.329 1.00 1.00 O ATOM 308 CB THR A 22 58.338 2.571 13.540 1.00 1.00 C ATOM 309 OG1 THR A 22 59.602 2.252 14.104 1.00 1.00 O ATOM 310 CG2 THR A 22 57.236 2.309 14.568 1.00 1.00 C ATOM 0 H THR A 22 59.194 0.175 13.317 1.00 1.00 H new ATOM 0 HA THR A 22 57.055 1.756 12.001 1.00 1.00 H new ATOM 0 HB THR A 22 58.322 3.623 13.256 1.00 1.00 H new ATOM 0 HG1 THR A 22 60.272 2.189 13.391 1.00 1.00 H new ATOM 0 HG21 THR A 22 57.406 2.928 15.449 1.00 1.00 H new ATOM 0 HG22 THR A 22 56.267 2.555 14.133 1.00 1.00 H new ATOM 0 HG23 THR A 22 57.249 1.258 14.855 1.00 1.00 H new ATOM 318 N PRO A 23 58.427 2.459 9.995 1.00 1.00 N ATOM 319 CA PRO A 23 59.203 2.959 8.826 1.00 1.00 C ATOM 320 C PRO A 23 59.431 4.473 8.889 1.00 1.00 C ATOM 321 O PRO A 23 59.117 5.117 9.869 1.00 1.00 O ATOM 322 CB PRO A 23 58.317 2.600 7.632 1.00 1.00 C ATOM 323 CG PRO A 23 56.921 2.615 8.168 1.00 1.00 C ATOM 324 CD PRO A 23 57.003 2.288 9.665 1.00 1.00 C ATOM 0 HA PRO A 23 60.200 2.521 8.779 1.00 1.00 H new ATOM 0 HB2 PRO A 23 58.436 3.319 6.822 1.00 1.00 H new ATOM 0 HB3 PRO A 23 58.575 1.620 7.230 1.00 1.00 H new ATOM 0 HG2 PRO A 23 56.460 3.591 8.013 1.00 1.00 H new ATOM 0 HG3 PRO A 23 56.302 1.884 7.648 1.00 1.00 H new ATOM 0 HD2 PRO A 23 56.375 2.957 10.254 1.00 1.00 H new ATOM 0 HD3 PRO A 23 56.666 1.272 9.870 1.00 1.00 H new ATOM 332 N ARG A 24 59.972 5.042 7.846 1.00 1.00 N ATOM 333 CA ARG A 24 60.218 6.512 7.838 1.00 1.00 C ATOM 334 C ARG A 24 61.188 6.880 8.963 1.00 1.00 C ATOM 335 O ARG A 24 61.050 6.438 10.086 1.00 1.00 O ATOM 336 CB ARG A 24 58.893 7.252 8.038 1.00 1.00 C ATOM 337 CG ARG A 24 59.039 8.699 7.564 1.00 1.00 C ATOM 338 CD ARG A 24 57.743 9.462 7.842 1.00 1.00 C ATOM 339 NE ARG A 24 56.643 8.889 7.016 1.00 1.00 N ATOM 340 CZ ARG A 24 55.510 9.528 6.905 1.00 1.00 C ATOM 341 NH1 ARG A 24 55.341 10.667 7.518 1.00 1.00 N ATOM 342 NH2 ARG A 24 54.546 9.026 6.182 1.00 1.00 N ATOM 0 H ARG A 24 60.255 4.551 6.998 1.00 1.00 H new ATOM 0 HA ARG A 24 60.654 6.800 6.881 1.00 1.00 H new ATOM 0 HB2 ARG A 24 58.099 6.754 7.481 1.00 1.00 H new ATOM 0 HB3 ARG A 24 58.607 7.230 9.090 1.00 1.00 H new ATOM 0 HG2 ARG A 24 59.873 9.178 8.077 1.00 1.00 H new ATOM 0 HG3 ARG A 24 59.265 8.722 6.498 1.00 1.00 H new ATOM 0 HD2 ARG A 24 57.490 9.397 8.900 1.00 1.00 H new ATOM 0 HD3 ARG A 24 57.874 10.519 7.610 1.00 1.00 H new ATOM 0 HE ARG A 24 56.775 7.998 6.538 1.00 1.00 H new ATOM 0 HH11 ARG A 24 56.094 11.058 8.084 1.00 1.00 H new ATOM 0 HH12 ARG A 24 54.456 11.166 7.431 1.00 1.00 H new ATOM 0 HH21 ARG A 24 54.678 8.135 5.704 1.00 1.00 H new ATOM 0 HH22 ARG A 24 53.661 9.525 6.095 1.00 1.00 H new ATOM 356 N LYS A 25 62.171 7.687 8.667 1.00 1.00 N ATOM 357 CA LYS A 25 63.157 8.087 9.712 1.00 1.00 C ATOM 358 C LYS A 25 62.741 9.431 10.320 1.00 1.00 C ATOM 359 O LYS A 25 62.556 10.408 9.622 1.00 1.00 O ATOM 360 CB LYS A 25 64.550 8.218 9.079 1.00 1.00 C ATOM 361 CG LYS A 25 64.736 7.130 8.019 1.00 1.00 C ATOM 362 CD LYS A 25 64.941 5.778 8.705 1.00 1.00 C ATOM 363 CE LYS A 25 64.890 4.662 7.660 1.00 1.00 C ATOM 364 NZ LYS A 25 63.472 4.391 7.291 1.00 1.00 N ATOM 0 H LYS A 25 62.334 8.088 7.743 1.00 1.00 H new ATOM 0 HA LYS A 25 63.185 7.329 10.495 1.00 1.00 H new ATOM 0 HB2 LYS A 25 64.664 9.203 8.627 1.00 1.00 H new ATOM 0 HB3 LYS A 25 65.319 8.128 9.846 1.00 1.00 H new ATOM 0 HG2 LYS A 25 63.864 7.090 7.367 1.00 1.00 H new ATOM 0 HG3 LYS A 25 65.594 7.364 7.389 1.00 1.00 H new ATOM 0 HD2 LYS A 25 65.900 5.763 9.222 1.00 1.00 H new ATOM 0 HD3 LYS A 25 64.170 5.620 9.459 1.00 1.00 H new ATOM 0 HE2 LYS A 25 65.458 4.951 6.776 1.00 1.00 H new ATOM 0 HE3 LYS A 25 65.353 3.758 8.055 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 63.346 3.373 7.121 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 62.848 4.692 8.067 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 63.231 4.919 6.428 1.00 1.00 H new ATOM 378 N GLY A 26 62.592 9.486 11.616 1.00 1.00 N ATOM 379 CA GLY A 26 62.186 10.765 12.268 1.00 1.00 C ATOM 380 C GLY A 26 63.262 11.832 12.029 1.00 1.00 C ATOM 381 O GLY A 26 63.238 12.523 11.030 1.00 1.00 O ATOM 0 H GLY A 26 62.734 8.701 12.252 1.00 1.00 H new ATOM 0 HA2 GLY A 26 61.231 11.102 11.866 1.00 1.00 H new ATOM 0 HA3 GLY A 26 62.045 10.610 13.338 1.00 1.00 H new ATOM 385 N PRO A 27 64.202 11.970 12.933 1.00 1.00 N ATOM 386 CA PRO A 27 65.296 12.973 12.799 1.00 1.00 C ATOM 387 C PRO A 27 65.853 13.026 11.369 1.00 1.00 C ATOM 388 O PRO A 27 65.772 12.062 10.634 1.00 1.00 O ATOM 389 CB PRO A 27 66.365 12.470 13.771 1.00 1.00 C ATOM 390 CG PRO A 27 65.616 11.714 14.821 1.00 1.00 C ATOM 391 CD PRO A 27 64.329 11.189 14.174 1.00 1.00 C ATOM 0 HA PRO A 27 64.953 13.985 13.015 1.00 1.00 H new ATOM 0 HB2 PRO A 27 67.087 11.830 13.265 1.00 1.00 H new ATOM 0 HB3 PRO A 27 66.923 13.299 14.206 1.00 1.00 H new ATOM 0 HG2 PRO A 27 66.218 10.890 15.204 1.00 1.00 H new ATOM 0 HG3 PRO A 27 65.385 12.360 15.668 1.00 1.00 H new ATOM 0 HD2 PRO A 27 64.395 10.121 13.967 1.00 1.00 H new ATOM 0 HD3 PRO A 27 63.468 11.335 14.826 1.00 1.00 H new ATOM 399 N PRO A 28 66.422 14.139 10.977 1.00 1.00 N ATOM 400 CA PRO A 28 67.003 14.299 9.616 1.00 1.00 C ATOM 401 C PRO A 28 67.801 13.063 9.186 1.00 1.00 C ATOM 402 O PRO A 28 68.649 12.579 9.910 1.00 1.00 O ATOM 403 CB PRO A 28 67.925 15.511 9.761 1.00 1.00 C ATOM 404 CG PRO A 28 67.328 16.327 10.861 1.00 1.00 C ATOM 405 CD PRO A 28 66.576 15.361 11.783 1.00 1.00 C ATOM 0 HA PRO A 28 66.235 14.426 8.853 1.00 1.00 H new ATOM 0 HB2 PRO A 28 68.942 15.205 10.005 1.00 1.00 H new ATOM 0 HB3 PRO A 28 67.977 16.080 8.833 1.00 1.00 H new ATOM 0 HG2 PRO A 28 68.105 16.858 11.411 1.00 1.00 H new ATOM 0 HG3 PRO A 28 66.651 17.080 10.458 1.00 1.00 H new ATOM 0 HD2 PRO A 28 67.136 15.167 12.698 1.00 1.00 H new ATOM 0 HD3 PRO A 28 65.609 15.766 12.081 1.00 1.00 H new ATOM 413 N LYS A 29 67.536 12.546 8.017 1.00 1.00 N ATOM 414 CA LYS A 29 68.280 11.342 7.552 1.00 1.00 C ATOM 415 C LYS A 29 69.588 11.774 6.885 1.00 1.00 C ATOM 416 O LYS A 29 70.561 11.046 6.877 1.00 1.00 O ATOM 417 CB LYS A 29 67.423 10.567 6.548 1.00 1.00 C ATOM 418 CG LYS A 29 67.030 11.489 5.392 1.00 1.00 C ATOM 419 CD LYS A 29 66.158 10.718 4.398 1.00 1.00 C ATOM 420 CE LYS A 29 65.530 11.697 3.404 1.00 1.00 C ATOM 421 NZ LYS A 29 64.493 12.513 4.097 1.00 1.00 N ATOM 0 H LYS A 29 66.838 12.905 7.366 1.00 1.00 H new ATOM 0 HA LYS A 29 68.504 10.702 8.406 1.00 1.00 H new ATOM 0 HB2 LYS A 29 67.976 9.707 6.169 1.00 1.00 H new ATOM 0 HB3 LYS A 29 66.530 10.181 7.039 1.00 1.00 H new ATOM 0 HG2 LYS A 29 66.488 12.355 5.772 1.00 1.00 H new ATOM 0 HG3 LYS A 29 67.923 11.865 4.893 1.00 1.00 H new ATOM 0 HD2 LYS A 29 66.759 9.980 3.867 1.00 1.00 H new ATOM 0 HD3 LYS A 29 65.378 10.172 4.929 1.00 1.00 H new ATOM 0 HE2 LYS A 29 66.297 12.346 2.983 1.00 1.00 H new ATOM 0 HE3 LYS A 29 65.083 11.151 2.573 1.00 1.00 H new ATOM 0 HZ1 LYS A 29 63.815 12.879 3.398 1.00 1.00 H new ATOM 0 HZ2 LYS A 29 63.991 11.921 4.789 1.00 1.00 H new ATOM 0 HZ3 LYS A 29 64.948 13.309 4.588 1.00 1.00 H new ATOM 435 N CYS A 30 69.622 12.954 6.327 1.00 1.00 N ATOM 436 CA CYS A 30 70.871 13.426 5.666 1.00 1.00 C ATOM 437 C CYS A 30 72.028 13.360 6.664 1.00 1.00 C ATOM 438 O CYS A 30 72.823 12.441 6.647 1.00 1.00 O ATOM 439 CB CYS A 30 70.683 14.870 5.191 1.00 1.00 C ATOM 440 SG CYS A 30 72.177 15.423 4.333 1.00 1.00 S ATOM 0 H CYS A 30 68.841 13.609 6.301 1.00 1.00 H new ATOM 0 HA CYS A 30 71.094 12.791 4.809 1.00 1.00 H new ATOM 0 HB2 CYS A 30 69.823 14.936 4.525 1.00 1.00 H new ATOM 0 HB3 CYS A 30 70.478 15.520 6.042 1.00 1.00 H new ATOM 445 N LYS A 31 72.122 14.321 7.538 1.00 1.00 N ATOM 446 CA LYS A 31 73.222 14.310 8.545 1.00 1.00 C ATOM 447 C LYS A 31 72.771 13.491 9.761 1.00 1.00 C ATOM 448 O LYS A 31 72.155 12.454 9.624 1.00 1.00 O ATOM 449 CB LYS A 31 73.543 15.749 8.974 1.00 1.00 C ATOM 450 CG LYS A 31 74.318 16.456 7.860 1.00 1.00 C ATOM 451 CD LYS A 31 73.334 17.137 6.906 1.00 1.00 C ATOM 452 CE LYS A 31 74.054 17.503 5.607 1.00 1.00 C ATOM 453 NZ LYS A 31 73.101 18.187 4.687 1.00 1.00 N ATOM 0 H LYS A 31 71.485 15.115 7.600 1.00 1.00 H new ATOM 0 HA LYS A 31 74.117 13.863 8.113 1.00 1.00 H new ATOM 0 HB2 LYS A 31 72.621 16.289 9.189 1.00 1.00 H new ATOM 0 HB3 LYS A 31 74.130 15.743 9.892 1.00 1.00 H new ATOM 0 HG2 LYS A 31 74.997 17.194 8.287 1.00 1.00 H new ATOM 0 HG3 LYS A 31 74.930 15.737 7.316 1.00 1.00 H new ATOM 0 HD2 LYS A 31 72.496 16.472 6.695 1.00 1.00 H new ATOM 0 HD3 LYS A 31 72.921 18.033 7.370 1.00 1.00 H new ATOM 0 HE2 LYS A 31 74.902 18.154 5.820 1.00 1.00 H new ATOM 0 HE3 LYS A 31 74.452 16.605 5.134 1.00 1.00 H new ATOM 0 HZ1 LYS A 31 73.633 18.700 3.955 1.00 1.00 H new ATOM 0 HZ2 LYS A 31 72.485 17.480 4.237 1.00 1.00 H new ATOM 0 HZ3 LYS A 31 72.519 18.859 5.227 1.00 1.00 H new ATOM 467 N GLN A 32 73.070 13.946 10.948 1.00 1.00 N ATOM 468 CA GLN A 32 72.654 13.190 12.164 1.00 1.00 C ATOM 469 C GLN A 32 72.999 11.707 11.986 1.00 1.00 C ATOM 470 O GLN A 32 72.156 10.897 11.653 1.00 1.00 O ATOM 471 CB GLN A 32 71.139 13.351 12.371 1.00 1.00 C ATOM 472 CG GLN A 32 70.878 14.421 13.433 1.00 1.00 C ATOM 473 CD GLN A 32 71.360 15.779 12.920 1.00 1.00 C ATOM 474 OE1 GLN A 32 72.237 15.848 12.082 1.00 1.00 O ATOM 475 NE2 GLN A 32 70.820 16.870 13.391 1.00 1.00 N ATOM 0 H GLN A 32 73.584 14.808 11.128 1.00 1.00 H new ATOM 0 HA GLN A 32 73.180 13.579 13.036 1.00 1.00 H new ATOM 0 HB2 GLN A 32 70.661 13.631 11.432 1.00 1.00 H new ATOM 0 HB3 GLN A 32 70.701 12.402 12.681 1.00 1.00 H new ATOM 0 HG2 GLN A 32 69.814 14.465 13.666 1.00 1.00 H new ATOM 0 HG3 GLN A 32 71.396 14.165 14.357 1.00 1.00 H new ATOM 0 HE21 GLN A 32 70.084 16.812 14.095 1.00 1.00 H new ATOM 0 HE22 GLN A 32 71.134 17.781 13.056 1.00 1.00 H new ATOM 484 N ARG A 33 74.232 11.345 12.211 1.00 1.00 N ATOM 485 CA ARG A 33 74.632 9.917 12.062 1.00 1.00 C ATOM 486 C ARG A 33 75.920 9.669 12.849 1.00 1.00 C ATOM 487 O ARG A 33 76.523 8.618 12.760 1.00 1.00 O ATOM 488 CB ARG A 33 74.864 9.596 10.583 1.00 1.00 C ATOM 489 CG ARG A 33 75.682 10.716 9.937 1.00 1.00 C ATOM 490 CD ARG A 33 76.332 10.198 8.653 1.00 1.00 C ATOM 491 NE ARG A 33 75.301 9.536 7.806 1.00 1.00 N ATOM 492 CZ ARG A 33 75.656 8.641 6.925 1.00 1.00 C ATOM 493 NH1 ARG A 33 76.915 8.327 6.785 1.00 1.00 N ATOM 494 NH2 ARG A 33 74.752 8.061 6.183 1.00 1.00 N ATOM 0 H ARG A 33 74.981 11.978 12.492 1.00 1.00 H new ATOM 0 HA ARG A 33 73.839 9.276 12.446 1.00 1.00 H new ATOM 0 HB2 ARG A 33 75.389 8.646 10.485 1.00 1.00 H new ATOM 0 HB3 ARG A 33 73.909 9.487 10.070 1.00 1.00 H new ATOM 0 HG2 ARG A 33 75.039 11.568 9.714 1.00 1.00 H new ATOM 0 HG3 ARG A 33 76.448 11.067 10.629 1.00 1.00 H new ATOM 0 HD2 ARG A 33 76.792 11.022 8.107 1.00 1.00 H new ATOM 0 HD3 ARG A 33 77.127 9.493 8.894 1.00 1.00 H new ATOM 0 HE ARG A 33 74.317 9.782 7.915 1.00 1.00 H new ATOM 0 HH11 ARG A 33 77.621 8.781 7.364 1.00 1.00 H new ATOM 0 HH12 ARG A 33 77.193 7.628 6.097 1.00 1.00 H new ATOM 0 HH21 ARG A 33 73.768 8.307 6.292 1.00 1.00 H new ATOM 0 HH22 ARG A 33 75.029 7.362 5.494 1.00 1.00 H new ATOM 508 N GLN A 34 76.345 10.633 13.619 1.00 1.00 N ATOM 509 CA GLN A 34 77.592 10.463 14.416 1.00 1.00 C ATOM 510 C GLN A 34 78.764 10.172 13.476 1.00 1.00 C ATOM 511 O GLN A 34 79.169 9.039 13.304 1.00 1.00 O ATOM 512 CB GLN A 34 77.419 9.300 15.396 1.00 1.00 C ATOM 513 CG GLN A 34 78.499 9.379 16.477 1.00 1.00 C ATOM 514 CD GLN A 34 78.542 8.061 17.253 1.00 1.00 C ATOM 515 OE1 GLN A 34 78.288 8.033 18.441 1.00 1.00 O ATOM 516 NE2 GLN A 34 78.855 6.959 16.627 1.00 1.00 N ATOM 0 H GLN A 34 75.880 11.534 13.731 1.00 1.00 H new ATOM 0 HA GLN A 34 77.794 11.378 14.973 1.00 1.00 H new ATOM 0 HB2 GLN A 34 76.430 9.339 15.852 1.00 1.00 H new ATOM 0 HB3 GLN A 34 77.489 8.350 14.866 1.00 1.00 H new ATOM 0 HG2 GLN A 34 79.470 9.577 16.022 1.00 1.00 H new ATOM 0 HG3 GLN A 34 78.290 10.206 17.155 1.00 1.00 H new ATOM 0 HE21 GLN A 34 79.068 6.982 15.630 1.00 1.00 H new ATOM 0 HE22 GLN A 34 78.886 6.075 17.135 1.00 1.00 H new ATOM 525 N THR A 35 79.313 11.188 12.868 1.00 1.00 N ATOM 526 CA THR A 35 80.459 10.972 11.941 1.00 1.00 C ATOM 527 C THR A 35 81.062 12.328 11.559 1.00 1.00 C ATOM 528 O THR A 35 82.101 12.716 12.054 1.00 1.00 O ATOM 529 CB THR A 35 79.965 10.242 10.681 1.00 1.00 C ATOM 530 OG1 THR A 35 78.564 10.030 10.778 1.00 1.00 O ATOM 531 CG2 THR A 35 80.679 8.895 10.556 1.00 1.00 C ATOM 0 H THR A 35 79.017 12.158 12.973 1.00 1.00 H new ATOM 0 HA THR A 35 81.221 10.365 12.429 1.00 1.00 H new ATOM 0 HB THR A 35 80.182 10.848 9.801 1.00 1.00 H new ATOM 0 HG1 THR A 35 78.375 9.069 10.743 1.00 1.00 H new ATOM 0 HG21 THR A 35 80.328 8.379 9.663 1.00 1.00 H new ATOM 0 HG22 THR A 35 81.754 9.059 10.482 1.00 1.00 H new ATOM 0 HG23 THR A 35 80.464 8.287 11.435 1.00 1.00 H new ATOM 539 N ARG A 36 80.418 13.050 10.683 1.00 1.00 N ATOM 540 CA ARG A 36 80.956 14.379 10.272 1.00 1.00 C ATOM 541 C ARG A 36 82.451 14.252 9.971 1.00 1.00 C ATOM 542 O ARG A 36 83.213 15.178 10.161 1.00 1.00 O ATOM 543 CB ARG A 36 80.745 15.385 11.405 1.00 1.00 C ATOM 544 CG ARG A 36 79.269 15.398 11.808 1.00 1.00 C ATOM 545 CD ARG A 36 79.016 16.549 12.784 1.00 1.00 C ATOM 546 NE ARG A 36 80.004 16.482 13.898 1.00 1.00 N ATOM 547 CZ ARG A 36 80.242 17.540 14.623 1.00 1.00 C ATOM 548 NH1 ARG A 36 79.615 18.657 14.373 1.00 1.00 N ATOM 549 NH2 ARG A 36 81.106 17.481 15.599 1.00 1.00 N ATOM 0 H ARG A 36 79.543 12.778 10.234 1.00 1.00 H new ATOM 0 HA ARG A 36 80.435 14.724 9.379 1.00 1.00 H new ATOM 0 HB2 ARG A 36 81.364 15.119 12.262 1.00 1.00 H new ATOM 0 HB3 ARG A 36 81.054 16.380 11.084 1.00 1.00 H new ATOM 0 HG2 ARG A 36 78.641 15.512 10.924 1.00 1.00 H new ATOM 0 HG3 ARG A 36 78.999 14.449 12.271 1.00 1.00 H new ATOM 0 HD2 ARG A 36 79.100 17.504 12.266 1.00 1.00 H new ATOM 0 HD3 ARG A 36 78.002 16.489 13.179 1.00 1.00 H new ATOM 0 HE ARG A 36 80.494 15.609 14.093 1.00 1.00 H new ATOM 0 HH11 ARG A 36 78.939 18.703 13.611 1.00 1.00 H new ATOM 0 HH12 ARG A 36 79.801 19.484 14.940 1.00 1.00 H new ATOM 0 HH21 ARG A 36 81.595 16.608 15.795 1.00 1.00 H new ATOM 0 HH22 ARG A 36 81.292 18.308 16.166 1.00 1.00 H new ATOM 563 N GLN A 37 82.873 13.109 9.501 1.00 1.00 N ATOM 564 CA GLN A 37 84.318 12.912 9.185 1.00 1.00 C ATOM 565 C GLN A 37 84.443 12.070 7.913 1.00 1.00 C ATOM 566 O GLN A 37 84.164 12.532 6.825 1.00 1.00 O ATOM 567 CB GLN A 37 84.998 12.193 10.354 1.00 1.00 C ATOM 568 CG GLN A 37 86.513 12.182 10.138 1.00 1.00 C ATOM 569 CD GLN A 37 87.183 11.388 11.261 1.00 1.00 C ATOM 570 OE1 GLN A 37 86.516 10.857 12.127 1.00 1.00 O ATOM 571 NE2 GLN A 37 88.484 11.284 11.283 1.00 1.00 N ATOM 0 H GLN A 37 82.278 12.300 9.322 1.00 1.00 H new ATOM 0 HA GLN A 37 84.799 13.877 9.028 1.00 1.00 H new ATOM 0 HB2 GLN A 37 84.758 12.694 11.292 1.00 1.00 H new ATOM 0 HB3 GLN A 37 84.624 11.172 10.433 1.00 1.00 H new ATOM 0 HG2 GLN A 37 86.750 11.737 9.172 1.00 1.00 H new ATOM 0 HG3 GLN A 37 86.896 13.202 10.121 1.00 1.00 H new ATOM 0 HE21 GLN A 37 89.044 11.730 10.556 1.00 1.00 H new ATOM 0 HE22 GLN A 37 88.941 10.757 12.027 1.00 1.00 H new ATOM 580 N CYS A 38 84.851 10.836 8.037 1.00 1.00 N ATOM 581 CA CYS A 38 84.981 9.972 6.830 1.00 1.00 C ATOM 582 C CYS A 38 85.954 10.620 5.840 1.00 1.00 C ATOM 583 O CYS A 38 85.627 11.582 5.175 1.00 1.00 O ATOM 584 CB CYS A 38 83.604 9.812 6.174 1.00 1.00 C ATOM 585 SG CYS A 38 83.107 8.073 6.228 1.00 1.00 S ATOM 0 H CYS A 38 85.099 10.390 8.920 1.00 1.00 H new ATOM 0 HA CYS A 38 85.363 8.992 7.118 1.00 1.00 H new ATOM 0 HB2 CYS A 38 82.869 10.427 6.693 1.00 1.00 H new ATOM 0 HB3 CYS A 38 83.639 10.159 5.141 1.00 1.00 H new ATOM 590 N LYS A 39 87.148 10.097 5.736 1.00 1.00 N ATOM 591 CA LYS A 39 88.142 10.681 4.787 1.00 1.00 C ATOM 592 C LYS A 39 88.162 9.853 3.499 1.00 1.00 C ATOM 593 O LYS A 39 87.233 9.887 2.716 1.00 1.00 O ATOM 594 CB LYS A 39 89.534 10.668 5.431 1.00 1.00 C ATOM 595 CG LYS A 39 90.515 11.442 4.549 1.00 1.00 C ATOM 596 CD LYS A 39 90.385 12.940 4.831 1.00 1.00 C ATOM 597 CE LYS A 39 91.515 13.385 5.761 1.00 1.00 C ATOM 598 NZ LYS A 39 92.775 13.528 4.978 1.00 1.00 N ATOM 0 H LYS A 39 87.478 9.291 6.267 1.00 1.00 H new ATOM 0 HA LYS A 39 87.863 11.708 4.553 1.00 1.00 H new ATOM 0 HB2 LYS A 39 89.491 11.116 6.424 1.00 1.00 H new ATOM 0 HB3 LYS A 39 89.877 9.641 5.559 1.00 1.00 H new ATOM 0 HG2 LYS A 39 91.535 11.112 4.745 1.00 1.00 H new ATOM 0 HG3 LYS A 39 90.311 11.240 3.497 1.00 1.00 H new ATOM 0 HD2 LYS A 39 90.426 13.501 3.898 1.00 1.00 H new ATOM 0 HD3 LYS A 39 89.419 13.152 5.288 1.00 1.00 H new ATOM 0 HE2 LYS A 39 91.259 14.333 6.234 1.00 1.00 H new ATOM 0 HE3 LYS A 39 91.651 12.656 6.560 1.00 1.00 H new ATOM 0 HZ1 LYS A 39 93.591 13.459 5.619 1.00 1.00 H new ATOM 0 HZ2 LYS A 39 92.829 12.772 4.266 1.00 1.00 H new ATOM 0 HZ3 LYS A 39 92.785 14.453 4.502 1.00 1.00 H new ATOM 612 N SER A 40 89.213 9.111 3.266 1.00 1.00 N ATOM 613 CA SER A 40 89.280 8.291 2.023 1.00 1.00 C ATOM 614 C SER A 40 90.276 7.142 2.208 1.00 1.00 C ATOM 615 O SER A 40 90.790 6.600 1.249 1.00 1.00 O ATOM 616 CB SER A 40 89.732 9.171 0.858 1.00 1.00 C ATOM 617 OG SER A 40 89.689 8.415 -0.344 1.00 1.00 O ATOM 0 H SER A 40 90.024 9.038 3.880 1.00 1.00 H new ATOM 0 HA SER A 40 88.293 7.879 1.812 1.00 1.00 H new ATOM 0 HB2 SER A 40 89.086 10.045 0.775 1.00 1.00 H new ATOM 0 HB3 SER A 40 90.743 9.538 1.035 1.00 1.00 H new ATOM 0 HG SER A 40 90.064 7.524 -0.184 1.00 1.00 H new ATOM 623 N LYS A 41 90.554 6.763 3.430 1.00 1.00 N ATOM 624 CA LYS A 41 91.517 5.647 3.670 1.00 1.00 C ATOM 625 C LYS A 41 90.840 4.555 4.507 1.00 1.00 C ATOM 626 O LYS A 41 91.008 4.492 5.709 1.00 1.00 O ATOM 627 CB LYS A 41 92.734 6.186 4.427 1.00 1.00 C ATOM 628 CG LYS A 41 92.275 7.193 5.483 1.00 1.00 C ATOM 629 CD LYS A 41 93.487 7.695 6.271 1.00 1.00 C ATOM 630 CE LYS A 41 93.799 6.718 7.406 1.00 1.00 C ATOM 631 NZ LYS A 41 94.899 7.268 8.247 1.00 1.00 N ATOM 0 H LYS A 41 90.155 7.179 4.272 1.00 1.00 H new ATOM 0 HA LYS A 41 91.833 5.227 2.715 1.00 1.00 H new ATOM 0 HB2 LYS A 41 93.273 5.366 4.902 1.00 1.00 H new ATOM 0 HB3 LYS A 41 93.426 6.662 3.732 1.00 1.00 H new ATOM 0 HG2 LYS A 41 91.766 8.030 5.005 1.00 1.00 H new ATOM 0 HG3 LYS A 41 91.557 6.727 6.158 1.00 1.00 H new ATOM 0 HD2 LYS A 41 94.349 7.789 5.611 1.00 1.00 H new ATOM 0 HD3 LYS A 41 93.285 8.687 6.676 1.00 1.00 H new ATOM 0 HE2 LYS A 41 92.909 6.554 8.014 1.00 1.00 H new ATOM 0 HE3 LYS A 41 94.089 5.750 6.997 1.00 1.00 H new ATOM 0 HZ1 LYS A 41 95.111 6.604 9.019 1.00 1.00 H new ATOM 0 HZ2 LYS A 41 95.749 7.403 7.663 1.00 1.00 H new ATOM 0 HZ3 LYS A 41 94.606 8.182 8.648 1.00 1.00 H new ATOM 645 N PRO A 42 90.086 3.697 3.871 1.00 1.00 N ATOM 646 CA PRO A 42 89.377 2.581 4.549 1.00 1.00 C ATOM 647 C PRO A 42 90.242 1.318 4.639 1.00 1.00 C ATOM 648 O PRO A 42 91.201 1.163 3.908 1.00 1.00 O ATOM 649 CB PRO A 42 88.178 2.344 3.632 1.00 1.00 C ATOM 650 CG PRO A 42 88.665 2.691 2.261 1.00 1.00 C ATOM 651 CD PRO A 42 89.814 3.695 2.425 1.00 1.00 C ATOM 0 HA PRO A 42 89.112 2.816 5.580 1.00 1.00 H new ATOM 0 HB2 PRO A 42 87.842 1.308 3.681 1.00 1.00 H new ATOM 0 HB3 PRO A 42 87.332 2.968 3.920 1.00 1.00 H new ATOM 0 HG2 PRO A 42 89.007 1.798 1.737 1.00 1.00 H new ATOM 0 HG3 PRO A 42 87.860 3.122 1.665 1.00 1.00 H new ATOM 0 HD2 PRO A 42 90.692 3.392 1.855 1.00 1.00 H new ATOM 0 HD3 PRO A 42 89.531 4.686 2.071 1.00 1.00 H new ATOM 659 N PRO A 43 89.901 0.418 5.524 1.00 1.00 N ATOM 660 CA PRO A 43 90.656 -0.857 5.702 1.00 1.00 C ATOM 661 C PRO A 43 90.507 -1.777 4.485 1.00 1.00 C ATOM 662 O PRO A 43 89.421 -1.972 3.977 1.00 1.00 O ATOM 663 CB PRO A 43 90.023 -1.493 6.947 1.00 1.00 C ATOM 664 CG PRO A 43 88.663 -0.886 7.055 1.00 1.00 C ATOM 665 CD PRO A 43 88.760 0.515 6.448 1.00 1.00 C ATOM 0 HA PRO A 43 91.727 -0.688 5.810 1.00 1.00 H new ATOM 0 HB2 PRO A 43 89.963 -2.577 6.847 1.00 1.00 H new ATOM 0 HB3 PRO A 43 90.617 -1.288 7.838 1.00 1.00 H new ATOM 0 HG2 PRO A 43 87.927 -1.488 6.523 1.00 1.00 H new ATOM 0 HG3 PRO A 43 88.343 -0.836 8.096 1.00 1.00 H new ATOM 0 HD2 PRO A 43 87.844 0.789 5.925 1.00 1.00 H new ATOM 0 HD3 PRO A 43 88.928 1.272 7.214 1.00 1.00 H new ATOM 673 N LYS A 44 91.588 -2.337 4.012 1.00 1.00 N ATOM 674 CA LYS A 44 91.504 -3.237 2.825 1.00 1.00 C ATOM 675 C LYS A 44 90.930 -2.459 1.638 1.00 1.00 C ATOM 676 O LYS A 44 89.805 -2.001 1.671 1.00 1.00 O ATOM 677 CB LYS A 44 90.595 -4.426 3.146 1.00 1.00 C ATOM 678 CG LYS A 44 90.808 -5.526 2.104 1.00 1.00 C ATOM 679 CD LYS A 44 90.032 -6.779 2.518 1.00 1.00 C ATOM 680 CE LYS A 44 89.894 -7.714 1.316 1.00 1.00 C ATOM 681 NZ LYS A 44 91.122 -7.628 0.476 1.00 1.00 N ATOM 0 H LYS A 44 92.525 -2.211 4.396 1.00 1.00 H new ATOM 0 HA LYS A 44 92.500 -3.602 2.574 1.00 1.00 H new ATOM 0 HB2 LYS A 44 90.815 -4.807 4.143 1.00 1.00 H new ATOM 0 HB3 LYS A 44 89.552 -4.110 3.149 1.00 1.00 H new ATOM 0 HG2 LYS A 44 90.472 -5.184 1.125 1.00 1.00 H new ATOM 0 HG3 LYS A 44 91.870 -5.756 2.014 1.00 1.00 H new ATOM 0 HD2 LYS A 44 90.550 -7.288 3.331 1.00 1.00 H new ATOM 0 HD3 LYS A 44 89.046 -6.502 2.892 1.00 1.00 H new ATOM 0 HE2 LYS A 44 89.743 -8.739 1.655 1.00 1.00 H new ATOM 0 HE3 LYS A 44 89.018 -7.440 0.728 1.00 1.00 H new ATOM 0 HZ1 LYS A 44 91.172 -8.456 -0.151 1.00 1.00 H new ATOM 0 HZ2 LYS A 44 91.090 -6.761 -0.097 1.00 1.00 H new ATOM 0 HZ3 LYS A 44 91.961 -7.607 1.090 1.00 1.00 H new ATOM 695 N LYS A 45 91.696 -2.302 0.590 1.00 1.00 N ATOM 696 CA LYS A 45 91.198 -1.549 -0.599 1.00 1.00 C ATOM 697 C LYS A 45 90.803 -2.532 -1.705 1.00 1.00 C ATOM 698 O LYS A 45 91.381 -3.592 -1.841 1.00 1.00 O ATOM 699 CB LYS A 45 92.304 -0.622 -1.111 1.00 1.00 C ATOM 700 CG LYS A 45 93.421 -1.456 -1.741 1.00 1.00 C ATOM 701 CD LYS A 45 94.708 -0.630 -1.794 1.00 1.00 C ATOM 702 CE LYS A 45 95.646 -1.212 -2.853 1.00 1.00 C ATOM 703 NZ LYS A 45 95.233 -0.731 -4.201 1.00 1.00 N ATOM 0 H LYS A 45 92.646 -2.663 0.506 1.00 1.00 H new ATOM 0 HA LYS A 45 90.327 -0.959 -0.315 1.00 1.00 H new ATOM 0 HB2 LYS A 45 91.898 0.074 -1.845 1.00 1.00 H new ATOM 0 HB3 LYS A 45 92.701 -0.025 -0.290 1.00 1.00 H new ATOM 0 HG2 LYS A 45 93.583 -2.364 -1.160 1.00 1.00 H new ATOM 0 HG3 LYS A 45 93.134 -1.767 -2.746 1.00 1.00 H new ATOM 0 HD2 LYS A 45 94.476 0.409 -2.030 1.00 1.00 H new ATOM 0 HD3 LYS A 45 95.196 -0.634 -0.819 1.00 1.00 H new ATOM 0 HE2 LYS A 45 96.674 -0.913 -2.648 1.00 1.00 H new ATOM 0 HE3 LYS A 45 95.618 -2.301 -2.820 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 95.652 -1.342 -4.931 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 94.196 -0.761 -4.278 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 95.562 0.246 -4.337 1.00 1.00 H new ATOM 717 N GLY A 46 89.823 -2.183 -2.497 1.00 1.00 N ATOM 718 CA GLY A 46 89.385 -3.088 -3.601 1.00 1.00 C ATOM 719 C GLY A 46 89.849 -2.515 -4.942 1.00 1.00 C ATOM 720 O GLY A 46 89.234 -1.623 -5.492 1.00 1.00 O ATOM 0 H GLY A 46 89.305 -1.307 -2.426 1.00 1.00 H new ATOM 0 HA2 GLY A 46 89.801 -4.085 -3.456 1.00 1.00 H new ATOM 0 HA3 GLY A 46 88.300 -3.191 -3.593 1.00 1.00 H new ATOM 724 N VAL A 47 90.931 -3.017 -5.470 1.00 1.00 N ATOM 725 CA VAL A 47 91.437 -2.497 -6.772 1.00 1.00 C ATOM 726 C VAL A 47 90.416 -2.783 -7.876 1.00 1.00 C ATOM 727 O VAL A 47 89.989 -1.893 -8.584 1.00 1.00 O ATOM 728 CB VAL A 47 92.759 -3.186 -7.113 1.00 1.00 C ATOM 729 CG1 VAL A 47 93.274 -2.668 -8.457 1.00 1.00 C ATOM 730 CG2 VAL A 47 93.788 -2.881 -6.022 1.00 1.00 C ATOM 0 H VAL A 47 91.487 -3.765 -5.056 1.00 1.00 H new ATOM 0 HA VAL A 47 91.592 -1.421 -6.695 1.00 1.00 H new ATOM 0 HB VAL A 47 92.602 -4.263 -7.175 1.00 1.00 H new ATOM 0 HG11 VAL A 47 94.216 -3.159 -8.699 1.00 1.00 H new ATOM 0 HG12 VAL A 47 92.542 -2.884 -9.235 1.00 1.00 H new ATOM 0 HG13 VAL A 47 93.432 -1.591 -8.396 1.00 1.00 H new ATOM 0 HG21 VAL A 47 94.731 -3.372 -6.264 1.00 1.00 H new ATOM 0 HG22 VAL A 47 93.945 -1.804 -5.960 1.00 1.00 H new ATOM 0 HG23 VAL A 47 93.422 -3.250 -5.064 1.00 1.00 H new ATOM 740 N GLN A 48 90.026 -4.018 -8.032 1.00 1.00 N ATOM 741 CA GLN A 48 89.038 -4.364 -9.095 1.00 1.00 C ATOM 742 C GLN A 48 87.618 -4.220 -8.541 1.00 1.00 C ATOM 743 O GLN A 48 86.645 -4.342 -9.259 1.00 1.00 O ATOM 744 CB GLN A 48 89.267 -5.811 -9.543 1.00 1.00 C ATOM 745 CG GLN A 48 88.622 -6.032 -10.912 1.00 1.00 C ATOM 746 CD GLN A 48 88.470 -7.533 -11.169 1.00 1.00 C ATOM 747 OE1 GLN A 48 88.925 -8.344 -10.387 1.00 1.00 O ATOM 748 NE2 GLN A 48 87.844 -7.939 -12.240 1.00 1.00 N ATOM 0 H GLN A 48 90.349 -4.805 -7.469 1.00 1.00 H new ATOM 0 HA GLN A 48 89.164 -3.692 -9.944 1.00 1.00 H new ATOM 0 HB2 GLN A 48 90.335 -6.022 -9.595 1.00 1.00 H new ATOM 0 HB3 GLN A 48 88.841 -6.500 -8.814 1.00 1.00 H new ATOM 0 HG2 GLN A 48 87.647 -5.545 -10.949 1.00 1.00 H new ATOM 0 HG3 GLN A 48 89.234 -5.579 -11.692 1.00 1.00 H new ATOM 0 HE21 GLN A 48 87.462 -7.258 -12.896 1.00 1.00 H new ATOM 0 HE22 GLN A 48 87.737 -8.937 -12.420 1.00 1.00 H new ATOM 757 N GLY A 49 87.489 -3.967 -7.269 1.00 1.00 N ATOM 758 CA GLY A 49 86.131 -3.825 -6.675 1.00 1.00 C ATOM 759 C GLY A 49 85.439 -2.585 -7.248 1.00 1.00 C ATOM 760 O GLY A 49 84.391 -2.674 -7.857 1.00 1.00 O ATOM 0 H GLY A 49 88.264 -3.853 -6.616 1.00 1.00 H new ATOM 0 HA2 GLY A 49 85.537 -4.714 -6.887 1.00 1.00 H new ATOM 0 HA3 GLY A 49 86.206 -3.742 -5.591 1.00 1.00 H new ATOM 764 N CYS A 50 86.014 -1.428 -7.051 1.00 1.00 N ATOM 765 CA CYS A 50 85.392 -0.179 -7.574 1.00 1.00 C ATOM 766 C CYS A 50 84.891 -0.409 -9.000 1.00 1.00 C ATOM 767 O CYS A 50 85.661 -0.507 -9.935 1.00 1.00 O ATOM 768 CB CYS A 50 86.429 0.947 -7.570 1.00 1.00 C ATOM 769 SG CYS A 50 85.582 2.547 -7.593 1.00 1.00 S ATOM 0 H CYS A 50 86.891 -1.295 -6.548 1.00 1.00 H new ATOM 0 HA CYS A 50 84.551 0.099 -6.939 1.00 1.00 H new ATOM 0 HB2 CYS A 50 87.061 0.871 -6.685 1.00 1.00 H new ATOM 0 HB3 CYS A 50 87.083 0.857 -8.438 1.00 1.00 H new ATOM 774 N GLY A 51 83.603 -0.500 -9.163 1.00 1.00 N ATOM 775 CA GLY A 51 83.028 -0.728 -10.520 1.00 1.00 C ATOM 776 C GLY A 51 83.227 0.516 -11.391 1.00 1.00 C ATOM 777 O GLY A 51 82.374 0.875 -12.178 1.00 1.00 O ATOM 0 H GLY A 51 82.918 -0.426 -8.411 1.00 1.00 H new ATOM 0 HA2 GLY A 51 83.507 -1.589 -10.987 1.00 1.00 H new ATOM 0 HA3 GLY A 51 81.966 -0.959 -10.439 1.00 1.00 H new ATOM 781 N ASP A 52 84.348 1.171 -11.265 1.00 1.00 N ATOM 782 CA ASP A 52 84.602 2.385 -12.095 1.00 1.00 C ATOM 783 C ASP A 52 83.525 3.440 -11.823 1.00 1.00 C ATOM 784 O ASP A 52 83.044 4.094 -12.726 1.00 1.00 O ATOM 785 CB ASP A 52 84.580 2.000 -13.578 1.00 1.00 C ATOM 786 CG ASP A 52 85.197 0.611 -13.754 1.00 1.00 C ATOM 787 OD1 ASP A 52 86.302 0.411 -13.277 1.00 1.00 O ATOM 788 OD2 ASP A 52 84.554 -0.228 -14.363 1.00 1.00 O ATOM 0 H ASP A 52 85.100 0.919 -10.623 1.00 1.00 H new ATOM 0 HA ASP A 52 85.577 2.798 -11.838 1.00 1.00 H new ATOM 0 HB2 ASP A 52 83.556 2.004 -13.951 1.00 1.00 H new ATOM 0 HB3 ASP A 52 85.135 2.733 -14.163 1.00 1.00 H new ATOM 793 N ASP A 53 83.148 3.616 -10.585 1.00 1.00 N ATOM 794 CA ASP A 53 82.108 4.635 -10.255 1.00 1.00 C ATOM 795 C ASP A 53 80.858 4.410 -11.111 1.00 1.00 C ATOM 796 O ASP A 53 79.921 5.182 -11.065 1.00 1.00 O ATOM 797 CB ASP A 53 82.662 6.036 -10.524 1.00 1.00 C ATOM 798 CG ASP A 53 83.757 6.357 -9.505 1.00 1.00 C ATOM 799 OD1 ASP A 53 84.535 5.467 -9.201 1.00 1.00 O ATOM 800 OD2 ASP A 53 83.800 7.487 -9.047 1.00 1.00 O ATOM 0 H ASP A 53 83.515 3.098 -9.787 1.00 1.00 H new ATOM 0 HA ASP A 53 81.841 4.540 -9.202 1.00 1.00 H new ATOM 0 HB2 ASP A 53 83.064 6.091 -11.535 1.00 1.00 H new ATOM 0 HB3 ASP A 53 81.862 6.774 -10.458 1.00 1.00 H new ATOM 805 N ILE A 54 80.833 3.358 -11.888 1.00 1.00 N ATOM 806 CA ILE A 54 79.640 3.080 -12.744 1.00 1.00 C ATOM 807 C ILE A 54 79.196 1.632 -12.527 1.00 1.00 C ATOM 808 O ILE A 54 79.498 0.757 -13.314 1.00 1.00 O ATOM 809 CB ILE A 54 80.008 3.287 -14.216 1.00 1.00 C ATOM 810 CG1 ILE A 54 80.451 4.736 -14.431 1.00 1.00 C ATOM 811 CG2 ILE A 54 78.790 2.992 -15.094 1.00 1.00 C ATOM 812 CD1 ILE A 54 81.178 4.855 -15.771 1.00 1.00 C ATOM 0 H ILE A 54 81.589 2.678 -11.967 1.00 1.00 H new ATOM 0 HA ILE A 54 78.829 3.757 -12.477 1.00 1.00 H new ATOM 0 HB ILE A 54 80.821 2.613 -14.485 1.00 1.00 H new ATOM 0 HG12 ILE A 54 79.585 5.398 -14.415 1.00 1.00 H new ATOM 0 HG13 ILE A 54 81.108 5.051 -13.620 1.00 1.00 H new ATOM 0 HG21 ILE A 54 79.052 3.139 -16.142 1.00 1.00 H new ATOM 0 HG22 ILE A 54 78.473 1.961 -14.941 1.00 1.00 H new ATOM 0 HG23 ILE A 54 77.976 3.666 -14.826 1.00 1.00 H new ATOM 0 HD11 ILE A 54 81.493 5.887 -15.924 1.00 1.00 H new ATOM 0 HD12 ILE A 54 82.053 4.205 -15.769 1.00 1.00 H new ATOM 0 HD13 ILE A 54 80.507 4.558 -16.577 1.00 1.00 H new ATOM 824 N PRO A 55 78.491 1.380 -11.455 1.00 1.00 N ATOM 825 CA PRO A 55 78.001 0.019 -11.110 1.00 1.00 C ATOM 826 C PRO A 55 76.673 -0.323 -11.796 1.00 1.00 C ATOM 827 O PRO A 55 76.643 -0.776 -12.924 1.00 1.00 O ATOM 828 CB PRO A 55 77.824 0.099 -9.595 1.00 1.00 C ATOM 829 CG PRO A 55 77.464 1.524 -9.323 1.00 1.00 C ATOM 830 CD PRO A 55 78.083 2.368 -10.443 1.00 1.00 C ATOM 0 HA PRO A 55 78.686 -0.763 -11.438 1.00 1.00 H new ATOM 0 HB2 PRO A 55 77.041 -0.578 -9.253 1.00 1.00 H new ATOM 0 HB3 PRO A 55 78.740 -0.183 -9.075 1.00 1.00 H new ATOM 0 HG2 PRO A 55 76.382 1.650 -9.299 1.00 1.00 H new ATOM 0 HG3 PRO A 55 77.843 1.838 -8.350 1.00 1.00 H new ATOM 0 HD2 PRO A 55 77.365 3.080 -10.849 1.00 1.00 H new ATOM 0 HD3 PRO A 55 78.935 2.945 -10.083 1.00 1.00 H new ATOM 838 N GLY A 56 75.576 -0.122 -11.118 1.00 1.00 N ATOM 839 CA GLY A 56 74.252 -0.446 -11.722 1.00 1.00 C ATOM 840 C GLY A 56 73.914 0.564 -12.820 1.00 1.00 C ATOM 841 O GLY A 56 72.943 0.413 -13.534 1.00 1.00 O ATOM 0 H GLY A 56 75.539 0.253 -10.170 1.00 1.00 H new ATOM 0 HA2 GLY A 56 74.270 -1.454 -12.137 1.00 1.00 H new ATOM 0 HA3 GLY A 56 73.479 -0.431 -10.953 1.00 1.00 H new ATOM 845 N MET A 57 74.702 1.594 -12.963 1.00 1.00 N ATOM 846 CA MET A 57 74.413 2.607 -14.018 1.00 1.00 C ATOM 847 C MET A 57 72.947 3.038 -13.916 1.00 1.00 C ATOM 848 O MET A 57 72.142 2.737 -14.774 1.00 1.00 O ATOM 849 CB MET A 57 74.670 1.996 -15.398 1.00 1.00 C ATOM 850 CG MET A 57 74.556 3.083 -16.468 1.00 1.00 C ATOM 851 SD MET A 57 74.452 2.313 -18.103 1.00 1.00 S ATOM 852 CE MET A 57 76.202 2.466 -18.537 1.00 1.00 C ATOM 0 H MET A 57 75.531 1.778 -12.397 1.00 1.00 H new ATOM 0 HA MET A 57 75.060 3.473 -13.880 1.00 1.00 H new ATOM 0 HB2 MET A 57 75.661 1.544 -15.428 1.00 1.00 H new ATOM 0 HB3 MET A 57 73.951 1.201 -15.595 1.00 1.00 H new ATOM 0 HG2 MET A 57 73.673 3.696 -16.286 1.00 1.00 H new ATOM 0 HG3 MET A 57 75.420 3.746 -16.421 1.00 1.00 H new ATOM 0 HE1 MET A 57 76.369 2.045 -19.529 1.00 1.00 H new ATOM 0 HE2 MET A 57 76.486 3.518 -18.537 1.00 1.00 H new ATOM 0 HE3 MET A 57 76.806 1.927 -17.808 1.00 1.00 H new ATOM 862 N GLU A 58 72.594 3.739 -12.873 1.00 1.00 N ATOM 863 CA GLU A 58 71.179 4.184 -12.718 1.00 1.00 C ATOM 864 C GLU A 58 71.144 5.499 -11.936 1.00 1.00 C ATOM 865 O GLU A 58 70.147 6.194 -11.911 1.00 1.00 O ATOM 866 CB GLU A 58 70.391 3.111 -11.958 1.00 1.00 C ATOM 867 CG GLU A 58 68.904 3.472 -11.951 1.00 1.00 C ATOM 868 CD GLU A 58 68.374 3.479 -13.386 1.00 1.00 C ATOM 869 OE1 GLU A 58 68.644 2.528 -14.101 1.00 1.00 O ATOM 870 OE2 GLU A 58 67.706 4.434 -13.745 1.00 1.00 O ATOM 0 H GLU A 58 73.223 4.023 -12.122 1.00 1.00 H new ATOM 0 HA GLU A 58 70.731 4.335 -13.700 1.00 1.00 H new ATOM 0 HB2 GLU A 58 70.537 2.138 -12.427 1.00 1.00 H new ATOM 0 HB3 GLU A 58 70.760 3.030 -10.936 1.00 1.00 H new ATOM 0 HG2 GLU A 58 68.347 2.753 -11.350 1.00 1.00 H new ATOM 0 HG3 GLU A 58 68.759 4.451 -11.494 1.00 1.00 H new ATOM 877 N GLY A 59 72.229 5.846 -11.298 1.00 1.00 N ATOM 878 CA GLY A 59 72.268 7.114 -10.512 1.00 1.00 C ATOM 879 C GLY A 59 72.252 6.780 -9.022 1.00 1.00 C ATOM 880 O GLY A 59 72.961 7.374 -8.235 1.00 1.00 O ATOM 0 H GLY A 59 73.093 5.304 -11.287 1.00 1.00 H new ATOM 0 HA2 GLY A 59 73.164 7.683 -10.760 1.00 1.00 H new ATOM 0 HA3 GLY A 59 71.413 7.740 -10.766 1.00 1.00 H new ATOM 884 N CYS A 60 71.452 5.827 -8.627 1.00 1.00 N ATOM 885 CA CYS A 60 71.400 5.453 -7.186 1.00 1.00 C ATOM 886 C CYS A 60 70.880 4.020 -7.048 1.00 1.00 C ATOM 887 O CYS A 60 71.014 3.399 -6.012 1.00 1.00 O ATOM 888 CB CYS A 60 70.471 6.417 -6.441 1.00 1.00 C ATOM 889 SG CYS A 60 71.425 7.836 -5.847 1.00 1.00 S ATOM 0 H CYS A 60 70.834 5.293 -9.238 1.00 1.00 H new ATOM 0 HA CYS A 60 72.400 5.514 -6.757 1.00 1.00 H new ATOM 0 HB2 CYS A 60 69.672 6.753 -7.102 1.00 1.00 H new ATOM 0 HB3 CYS A 60 69.997 5.907 -5.602 1.00 1.00 H new ATOM 894 N GLY A 61 70.295 3.483 -8.086 1.00 1.00 N ATOM 895 CA GLY A 61 69.780 2.084 -8.006 1.00 1.00 C ATOM 896 C GLY A 61 70.864 1.188 -7.405 1.00 1.00 C ATOM 897 O GLY A 61 70.644 0.499 -6.429 1.00 1.00 O ATOM 0 H GLY A 61 70.152 3.950 -8.982 1.00 1.00 H new ATOM 0 HA2 GLY A 61 68.880 2.049 -7.393 1.00 1.00 H new ATOM 0 HA3 GLY A 61 69.504 1.727 -8.998 1.00 1.00 H new ATOM 901 N THR A 62 72.037 1.202 -7.976 1.00 1.00 N ATOM 902 CA THR A 62 73.143 0.363 -7.432 1.00 1.00 C ATOM 903 C THR A 62 72.656 -1.075 -7.238 1.00 1.00 C ATOM 904 O THR A 62 72.346 -1.492 -6.139 1.00 1.00 O ATOM 905 CB THR A 62 73.598 0.941 -6.086 1.00 1.00 C ATOM 906 OG1 THR A 62 72.488 1.537 -5.430 1.00 1.00 O ATOM 907 CG2 THR A 62 74.682 1.995 -6.321 1.00 1.00 C ATOM 0 H THR A 62 72.278 1.758 -8.796 1.00 1.00 H new ATOM 0 HA THR A 62 73.979 0.363 -8.132 1.00 1.00 H new ATOM 0 HB THR A 62 74.002 0.142 -5.464 1.00 1.00 H new ATOM 0 HG1 THR A 62 72.344 2.439 -5.785 1.00 1.00 H new ATOM 0 HG21 THR A 62 75.004 2.405 -5.364 1.00 1.00 H new ATOM 0 HG22 THR A 62 75.533 1.536 -6.824 1.00 1.00 H new ATOM 0 HG23 THR A 62 74.282 2.796 -6.943 1.00 1.00 H new ATOM 915 N ASP A 63 72.593 -1.839 -8.294 1.00 1.00 N ATOM 916 CA ASP A 63 72.135 -3.250 -8.163 1.00 1.00 C ATOM 917 C ASP A 63 73.150 -4.035 -7.330 1.00 1.00 C ATOM 918 O ASP A 63 72.792 -4.789 -6.448 1.00 1.00 O ATOM 919 CB ASP A 63 72.018 -3.886 -9.550 1.00 1.00 C ATOM 920 CG ASP A 63 70.910 -3.189 -10.341 1.00 1.00 C ATOM 921 OD1 ASP A 63 69.776 -3.223 -9.891 1.00 1.00 O ATOM 922 OD2 ASP A 63 71.213 -2.633 -11.384 1.00 1.00 O ATOM 0 H ASP A 63 72.839 -1.547 -9.240 1.00 1.00 H new ATOM 0 HA ASP A 63 71.161 -3.270 -7.673 1.00 1.00 H new ATOM 0 HB2 ASP A 63 72.966 -3.802 -10.081 1.00 1.00 H new ATOM 0 HB3 ASP A 63 71.798 -4.950 -9.456 1.00 1.00 H new ATOM 927 N ILE A 64 74.418 -3.856 -7.601 1.00 1.00 N ATOM 928 CA ILE A 64 75.465 -4.584 -6.824 1.00 1.00 C ATOM 929 C ILE A 64 76.364 -3.570 -6.124 1.00 1.00 C ATOM 930 O ILE A 64 76.340 -3.424 -4.920 1.00 1.00 O ATOM 931 CB ILE A 64 76.324 -5.428 -7.768 1.00 1.00 C ATOM 932 CG1 ILE A 64 75.415 -6.248 -8.686 1.00 1.00 C ATOM 933 CG2 ILE A 64 77.206 -6.373 -6.949 1.00 1.00 C ATOM 934 CD1 ILE A 64 76.270 -7.027 -9.688 1.00 1.00 C ATOM 0 H ILE A 64 74.773 -3.236 -8.329 1.00 1.00 H new ATOM 0 HA ILE A 64 74.980 -5.231 -6.093 1.00 1.00 H new ATOM 0 HB ILE A 64 76.954 -4.773 -8.369 1.00 1.00 H new ATOM 0 HG12 ILE A 64 74.810 -6.936 -8.096 1.00 1.00 H new ATOM 0 HG13 ILE A 64 74.725 -5.590 -9.215 1.00 1.00 H new ATOM 0 HG21 ILE A 64 77.818 -6.974 -7.622 1.00 1.00 H new ATOM 0 HG22 ILE A 64 77.853 -5.790 -6.293 1.00 1.00 H new ATOM 0 HG23 ILE A 64 76.576 -7.029 -6.348 1.00 1.00 H new ATOM 0 HD11 ILE A 64 75.623 -7.611 -10.342 1.00 1.00 H new ATOM 0 HD12 ILE A 64 76.856 -6.329 -10.286 1.00 1.00 H new ATOM 0 HD13 ILE A 64 76.942 -7.696 -9.150 1.00 1.00 H new ATOM 946 N THR A 65 77.161 -2.872 -6.880 1.00 1.00 N ATOM 947 CA THR A 65 78.075 -1.863 -6.284 1.00 1.00 C ATOM 948 C THR A 65 79.275 -2.570 -5.654 1.00 1.00 C ATOM 949 O THR A 65 79.495 -2.505 -4.462 1.00 1.00 O ATOM 950 CB THR A 65 77.333 -1.041 -5.223 1.00 1.00 C ATOM 951 OG1 THR A 65 75.952 -0.983 -5.552 1.00 1.00 O ATOM 952 CG2 THR A 65 77.909 0.376 -5.177 1.00 1.00 C ATOM 0 H THR A 65 77.219 -2.958 -7.895 1.00 1.00 H new ATOM 0 HA THR A 65 78.424 -1.189 -7.066 1.00 1.00 H new ATOM 0 HB THR A 65 77.455 -1.511 -4.247 1.00 1.00 H new ATOM 0 HG1 THR A 65 75.476 -1.705 -5.092 1.00 1.00 H new ATOM 0 HG21 THR A 65 77.381 0.959 -4.423 1.00 1.00 H new ATOM 0 HG22 THR A 65 78.968 0.330 -4.924 1.00 1.00 H new ATOM 0 HG23 THR A 65 77.789 0.849 -6.151 1.00 1.00 H new ATOM 960 N VAL A 66 80.056 -3.232 -6.459 1.00 1.00 N ATOM 961 CA VAL A 66 81.262 -3.938 -5.940 1.00 1.00 C ATOM 962 C VAL A 66 80.870 -5.137 -5.079 1.00 1.00 C ATOM 963 O VAL A 66 81.027 -6.271 -5.485 1.00 1.00 O ATOM 964 CB VAL A 66 82.116 -2.967 -5.113 1.00 1.00 C ATOM 965 CG1 VAL A 66 83.496 -3.581 -4.868 1.00 1.00 C ATOM 966 CG2 VAL A 66 82.273 -1.651 -5.877 1.00 1.00 C ATOM 0 H VAL A 66 79.910 -3.316 -7.465 1.00 1.00 H new ATOM 0 HA VAL A 66 81.837 -4.301 -6.792 1.00 1.00 H new ATOM 0 HB VAL A 66 81.628 -2.778 -4.157 1.00 1.00 H new ATOM 0 HG11 VAL A 66 84.102 -2.891 -4.281 1.00 1.00 H new ATOM 0 HG12 VAL A 66 83.385 -4.520 -4.325 1.00 1.00 H new ATOM 0 HG13 VAL A 66 83.985 -3.770 -5.824 1.00 1.00 H new ATOM 0 HG21 VAL A 66 82.879 -0.960 -5.291 1.00 1.00 H new ATOM 0 HG22 VAL A 66 82.761 -1.841 -6.833 1.00 1.00 H new ATOM 0 HG23 VAL A 66 81.291 -1.213 -6.052 1.00 1.00 H new ATOM 976 N ILE A 67 80.394 -4.909 -3.884 1.00 1.00 N ATOM 977 CA ILE A 67 80.037 -6.063 -3.005 1.00 1.00 C ATOM 978 C ILE A 67 78.694 -5.837 -2.307 1.00 1.00 C ATOM 979 O ILE A 67 78.577 -5.061 -1.380 1.00 1.00 O ATOM 980 CB ILE A 67 81.145 -6.249 -1.959 1.00 1.00 C ATOM 981 CG1 ILE A 67 82.392 -6.821 -2.636 1.00 1.00 C ATOM 982 CG2 ILE A 67 80.667 -7.215 -0.874 1.00 1.00 C ATOM 983 CD1 ILE A 67 82.072 -8.201 -3.214 1.00 1.00 C ATOM 0 H ILE A 67 80.238 -3.985 -3.481 1.00 1.00 H new ATOM 0 HA ILE A 67 79.944 -6.958 -3.620 1.00 1.00 H new ATOM 0 HB ILE A 67 81.384 -5.286 -1.508 1.00 1.00 H new ATOM 0 HG12 ILE A 67 82.728 -6.152 -3.428 1.00 1.00 H new ATOM 0 HG13 ILE A 67 83.207 -6.897 -1.916 1.00 1.00 H new ATOM 0 HG21 ILE A 67 81.454 -7.347 -0.132 1.00 1.00 H new ATOM 0 HG22 ILE A 67 79.778 -6.809 -0.392 1.00 1.00 H new ATOM 0 HG23 ILE A 67 80.428 -8.178 -1.324 1.00 1.00 H new ATOM 0 HD11 ILE A 67 82.961 -8.608 -3.696 1.00 1.00 H new ATOM 0 HD12 ILE A 67 81.757 -8.868 -2.411 1.00 1.00 H new ATOM 0 HD13 ILE A 67 81.270 -8.111 -3.947 1.00 1.00 H new ATOM 995 N CYS A 68 77.693 -6.552 -2.735 1.00 1.00 N ATOM 996 CA CYS A 68 76.347 -6.446 -2.100 1.00 1.00 C ATOM 997 C CYS A 68 76.157 -7.638 -1.150 1.00 1.00 C ATOM 998 O CYS A 68 76.623 -8.727 -1.421 1.00 1.00 O ATOM 999 CB CYS A 68 75.275 -6.479 -3.193 1.00 1.00 C ATOM 1000 SG CYS A 68 73.763 -5.691 -2.586 1.00 1.00 S ATOM 0 H CYS A 68 77.749 -7.215 -3.508 1.00 1.00 H new ATOM 0 HA CYS A 68 76.263 -5.514 -1.541 1.00 1.00 H new ATOM 0 HB2 CYS A 68 75.634 -5.963 -4.084 1.00 1.00 H new ATOM 0 HB3 CYS A 68 75.069 -7.509 -3.483 1.00 1.00 H new ATOM 1005 N PRO A 69 75.495 -7.448 -0.031 1.00 1.00 N ATOM 1006 CA PRO A 69 75.268 -8.524 0.972 1.00 1.00 C ATOM 1007 C PRO A 69 75.165 -9.937 0.378 1.00 1.00 C ATOM 1008 O PRO A 69 75.707 -10.874 0.929 1.00 1.00 O ATOM 1009 CB PRO A 69 73.957 -8.098 1.617 1.00 1.00 C ATOM 1010 CG PRO A 69 74.023 -6.604 1.624 1.00 1.00 C ATOM 1011 CD PRO A 69 74.873 -6.189 0.413 1.00 1.00 C ATOM 0 HA PRO A 69 76.108 -8.614 1.661 1.00 1.00 H new ATOM 0 HB2 PRO A 69 73.098 -8.456 1.049 1.00 1.00 H new ATOM 0 HB3 PRO A 69 73.861 -8.498 2.627 1.00 1.00 H new ATOM 0 HG2 PRO A 69 73.024 -6.173 1.560 1.00 1.00 H new ATOM 0 HG3 PRO A 69 74.468 -6.241 2.551 1.00 1.00 H new ATOM 0 HD2 PRO A 69 74.260 -5.747 -0.373 1.00 1.00 H new ATOM 0 HD3 PRO A 69 75.623 -5.447 0.687 1.00 1.00 H new ATOM 1019 N TRP A 70 74.483 -10.125 -0.725 1.00 1.00 N ATOM 1020 CA TRP A 70 74.394 -11.511 -1.276 1.00 1.00 C ATOM 1021 C TRP A 70 75.795 -11.991 -1.666 1.00 1.00 C ATOM 1022 O TRP A 70 75.974 -13.072 -2.192 1.00 1.00 O ATOM 1023 CB TRP A 70 73.439 -11.582 -2.479 1.00 1.00 C ATOM 1024 CG TRP A 70 73.707 -10.447 -3.415 1.00 1.00 C ATOM 1025 CD1 TRP A 70 74.935 -10.042 -3.812 1.00 1.00 C ATOM 1026 CD2 TRP A 70 72.752 -9.567 -4.075 1.00 1.00 C ATOM 1027 NE1 TRP A 70 74.796 -8.970 -4.674 1.00 1.00 N ATOM 1028 CE2 TRP A 70 73.470 -8.639 -4.869 1.00 1.00 C ATOM 1029 CE3 TRP A 70 71.349 -9.483 -4.065 1.00 1.00 C ATOM 1030 CZ2 TRP A 70 72.816 -7.662 -5.624 1.00 1.00 C ATOM 1031 CZ3 TRP A 70 70.689 -8.504 -4.822 1.00 1.00 C ATOM 1032 CH2 TRP A 70 71.419 -7.596 -5.600 1.00 1.00 C ATOM 0 H TRP A 70 73.997 -9.401 -1.255 1.00 1.00 H new ATOM 0 HA TRP A 70 73.987 -12.166 -0.506 1.00 1.00 H new ATOM 0 HB2 TRP A 70 73.567 -12.531 -3.000 1.00 1.00 H new ATOM 0 HB3 TRP A 70 72.405 -11.544 -2.135 1.00 1.00 H new ATOM 0 HD1 TRP A 70 75.872 -10.484 -3.506 1.00 1.00 H new ATOM 0 HE1 TRP A 70 75.578 -8.483 -5.112 1.00 1.00 H new ATOM 0 HE3 TRP A 70 70.775 -10.178 -3.470 1.00 1.00 H new ATOM 0 HZ2 TRP A 70 73.384 -6.964 -6.221 1.00 1.00 H new ATOM 0 HZ3 TRP A 70 69.610 -8.450 -4.805 1.00 1.00 H new ATOM 0 HH2 TRP A 70 70.903 -6.846 -6.181 1.00 1.00 H new ATOM 1043 N GLU A 71 76.789 -11.196 -1.381 1.00 1.00 N ATOM 1044 CA GLU A 71 78.197 -11.579 -1.690 1.00 1.00 C ATOM 1045 C GLU A 71 79.112 -10.769 -0.771 1.00 1.00 C ATOM 1046 O GLU A 71 79.897 -9.959 -1.217 1.00 1.00 O ATOM 1047 CB GLU A 71 78.527 -11.260 -3.154 1.00 1.00 C ATOM 1048 CG GLU A 71 77.958 -12.354 -4.060 1.00 1.00 C ATOM 1049 CD GLU A 71 78.597 -12.253 -5.446 1.00 1.00 C ATOM 1050 OE1 GLU A 71 79.815 -12.238 -5.515 1.00 1.00 O ATOM 1051 OE2 GLU A 71 77.858 -12.193 -6.415 1.00 1.00 O ATOM 0 H GLU A 71 76.684 -10.282 -0.940 1.00 1.00 H new ATOM 0 HA GLU A 71 78.337 -12.648 -1.533 1.00 1.00 H new ATOM 0 HB2 GLU A 71 78.108 -10.292 -3.429 1.00 1.00 H new ATOM 0 HB3 GLU A 71 79.607 -11.189 -3.287 1.00 1.00 H new ATOM 0 HG2 GLU A 71 78.153 -13.336 -3.629 1.00 1.00 H new ATOM 0 HG3 GLU A 71 76.876 -12.250 -4.138 1.00 1.00 H new ATOM 1058 N ALA A 72 78.993 -10.969 0.513 1.00 1.00 N ATOM 1059 CA ALA A 72 79.827 -10.194 1.477 1.00 1.00 C ATOM 1060 C ALA A 72 81.311 -10.360 1.154 1.00 1.00 C ATOM 1061 O ALA A 72 81.773 -11.433 0.817 1.00 1.00 O ATOM 1062 CB ALA A 72 79.559 -10.700 2.896 1.00 1.00 C ATOM 0 H ALA A 72 78.352 -11.638 0.938 1.00 1.00 H new ATOM 0 HA ALA A 72 79.566 -9.139 1.400 1.00 1.00 H new ATOM 0 HB1 ALA A 72 80.167 -10.136 3.604 1.00 1.00 H new ATOM 0 HB2 ALA A 72 78.504 -10.567 3.137 1.00 1.00 H new ATOM 0 HB3 ALA A 72 79.815 -11.758 2.960 1.00 1.00 H new ATOM 1068 N CYS A 73 82.062 -9.297 1.263 1.00 1.00 N ATOM 1069 CA CYS A 73 83.521 -9.375 0.974 1.00 1.00 C ATOM 1070 C CYS A 73 84.209 -10.191 2.069 1.00 1.00 C ATOM 1071 O CYS A 73 85.048 -11.027 1.800 1.00 1.00 O ATOM 1072 CB CYS A 73 84.111 -7.962 0.942 1.00 1.00 C ATOM 1073 SG CYS A 73 84.236 -7.321 2.630 1.00 1.00 S ATOM 0 H CYS A 73 81.725 -8.375 1.541 1.00 1.00 H new ATOM 0 HA CYS A 73 83.678 -9.855 0.008 1.00 1.00 H new ATOM 0 HB2 CYS A 73 85.095 -7.978 0.474 1.00 1.00 H new ATOM 0 HB3 CYS A 73 83.482 -7.307 0.339 1.00 1.00 H new ATOM 1078 N ASN A 74 83.856 -9.951 3.304 1.00 1.00 N ATOM 1079 CA ASN A 74 84.484 -10.708 4.423 1.00 1.00 C ATOM 1080 C ASN A 74 83.755 -10.375 5.727 1.00 1.00 C ATOM 1081 O ASN A 74 84.268 -9.669 6.572 1.00 1.00 O ATOM 1082 CB ASN A 74 85.961 -10.309 4.547 1.00 1.00 C ATOM 1083 CG ASN A 74 86.814 -11.225 3.667 1.00 1.00 C ATOM 1084 OD1 ASN A 74 86.799 -12.429 3.830 1.00 1.00 O ATOM 1085 ND2 ASN A 74 87.562 -10.702 2.735 1.00 1.00 N ATOM 0 H ASN A 74 83.159 -9.262 3.585 1.00 1.00 H new ATOM 0 HA ASN A 74 84.414 -11.778 4.226 1.00 1.00 H new ATOM 0 HB2 ASN A 74 86.094 -9.270 4.245 1.00 1.00 H new ATOM 0 HB3 ASN A 74 86.282 -10.383 5.586 1.00 1.00 H new ATOM 0 HD21 ASN A 74 88.134 -11.304 2.143 1.00 1.00 H new ATOM 0 HD22 ASN A 74 87.574 -9.691 2.598 1.00 1.00 H new ATOM 1092 N HIS A 75 82.564 -10.878 5.897 1.00 1.00 N ATOM 1093 CA HIS A 75 81.804 -10.591 7.147 1.00 1.00 C ATOM 1094 C HIS A 75 81.548 -9.085 7.255 1.00 1.00 C ATOM 1095 O HIS A 75 81.222 -8.429 6.286 1.00 1.00 O ATOM 1096 CB HIS A 75 82.620 -11.062 8.357 1.00 1.00 C ATOM 1097 CG HIS A 75 81.702 -11.284 9.527 1.00 1.00 C ATOM 1098 ND1 HIS A 75 81.757 -10.499 10.670 1.00 1.00 N ATOM 1099 CD2 HIS A 75 80.700 -12.198 9.747 1.00 1.00 C ATOM 1100 CE1 HIS A 75 80.816 -10.950 11.519 1.00 1.00 C ATOM 1101 NE2 HIS A 75 80.145 -11.982 11.005 1.00 1.00 N ATOM 0 H HIS A 75 82.083 -11.476 5.225 1.00 1.00 H new ATOM 0 HA HIS A 75 80.850 -11.118 7.124 1.00 1.00 H new ATOM 0 HB2 HIS A 75 83.148 -11.984 8.116 1.00 1.00 H new ATOM 0 HB3 HIS A 75 83.376 -10.319 8.611 1.00 1.00 H new ATOM 0 HD2 HIS A 75 80.391 -12.965 9.052 1.00 1.00 H new ATOM 0 HE1 HIS A 75 80.627 -10.529 12.495 1.00 1.00 H new ATOM 0 HE2 HIS A 75 79.385 -12.503 11.442 1.00 1.00 H new ATOM 1110 N CYS A 76 81.694 -8.533 8.429 1.00 1.00 N ATOM 1111 CA CYS A 76 81.461 -7.072 8.606 1.00 1.00 C ATOM 1112 C CYS A 76 82.267 -6.574 9.808 1.00 1.00 C ATOM 1113 O CYS A 76 81.817 -5.741 10.569 1.00 1.00 O ATOM 1114 CB CYS A 76 79.972 -6.819 8.849 1.00 1.00 C ATOM 1115 SG CYS A 76 79.092 -6.836 7.267 1.00 1.00 S ATOM 0 H CYS A 76 81.966 -9.033 9.276 1.00 1.00 H new ATOM 0 HA CYS A 76 81.777 -6.540 7.709 1.00 1.00 H new ATOM 0 HB2 CYS A 76 79.566 -7.583 9.512 1.00 1.00 H new ATOM 0 HB3 CYS A 76 79.831 -5.859 9.345 1.00 1.00 H new ATOM 1120 N GLU A 77 83.454 -7.083 9.982 1.00 1.00 N ATOM 1121 CA GLU A 77 84.292 -6.646 11.133 1.00 1.00 C ATOM 1122 C GLU A 77 84.799 -5.225 10.885 1.00 1.00 C ATOM 1123 O GLU A 77 85.437 -4.948 9.888 1.00 1.00 O ATOM 1124 CB GLU A 77 85.482 -7.594 11.285 1.00 1.00 C ATOM 1125 CG GLU A 77 86.185 -7.320 12.616 1.00 1.00 C ATOM 1126 CD GLU A 77 87.500 -8.100 12.669 1.00 1.00 C ATOM 1127 OE1 GLU A 77 87.492 -9.263 12.299 1.00 1.00 O ATOM 1128 OE2 GLU A 77 88.493 -7.522 13.079 1.00 1.00 O ATOM 0 H GLU A 77 83.881 -7.784 9.376 1.00 1.00 H new ATOM 0 HA GLU A 77 83.695 -6.663 12.045 1.00 1.00 H new ATOM 0 HB2 GLU A 77 85.143 -8.629 11.247 1.00 1.00 H new ATOM 0 HB3 GLU A 77 86.179 -7.456 10.458 1.00 1.00 H new ATOM 0 HG2 GLU A 77 86.378 -6.253 12.724 1.00 1.00 H new ATOM 0 HG3 GLU A 77 85.542 -7.613 13.446 1.00 1.00 H new ATOM 1135 N LEU A 78 84.522 -4.323 11.785 1.00 1.00 N ATOM 1136 CA LEU A 78 84.988 -2.920 11.602 1.00 1.00 C ATOM 1137 C LEU A 78 85.013 -2.218 12.964 1.00 1.00 C ATOM 1138 O LEU A 78 86.060 -1.889 13.486 1.00 1.00 O ATOM 1139 CB LEU A 78 84.027 -2.187 10.652 1.00 1.00 C ATOM 1140 CG LEU A 78 84.828 -1.475 9.560 1.00 1.00 C ATOM 1141 CD1 LEU A 78 83.867 -0.842 8.552 1.00 1.00 C ATOM 1142 CD2 LEU A 78 85.692 -0.383 10.194 1.00 1.00 C ATOM 0 H LEU A 78 83.993 -4.497 12.640 1.00 1.00 H new ATOM 0 HA LEU A 78 85.990 -2.912 11.174 1.00 1.00 H new ATOM 0 HB2 LEU A 78 83.332 -2.897 10.203 1.00 1.00 H new ATOM 0 HB3 LEU A 78 83.430 -1.465 11.209 1.00 1.00 H new ATOM 0 HG LEU A 78 85.467 -2.196 9.049 1.00 1.00 H new ATOM 0 HD11 LEU A 78 84.438 -0.335 7.774 1.00 1.00 H new ATOM 0 HD12 LEU A 78 83.249 -1.619 8.101 1.00 1.00 H new ATOM 0 HD13 LEU A 78 83.228 -0.121 9.062 1.00 1.00 H new ATOM 0 HD21 LEU A 78 86.264 0.125 9.417 1.00 1.00 H new ATOM 0 HD22 LEU A 78 85.052 0.337 10.704 1.00 1.00 H new ATOM 0 HD23 LEU A 78 86.377 -0.833 10.913 1.00 1.00 H new ATOM 1154 N HIS A 79 83.861 -1.992 13.542 1.00 1.00 N ATOM 1155 CA HIS A 79 83.797 -1.318 14.874 1.00 1.00 C ATOM 1156 C HIS A 79 83.272 -2.316 15.912 1.00 1.00 C ATOM 1157 O HIS A 79 82.583 -1.953 16.843 1.00 1.00 O ATOM 1158 CB HIS A 79 82.847 -0.112 14.786 1.00 1.00 C ATOM 1159 CG HIS A 79 83.653 1.153 14.674 1.00 1.00 C ATOM 1160 ND1 HIS A 79 84.109 1.840 15.789 1.00 1.00 N ATOM 1161 CD2 HIS A 79 84.092 1.868 13.585 1.00 1.00 C ATOM 1162 CE1 HIS A 79 84.789 2.916 15.353 1.00 1.00 C ATOM 1163 NE2 HIS A 79 84.808 2.979 14.021 1.00 1.00 N ATOM 0 H HIS A 79 82.956 -2.247 13.146 1.00 1.00 H new ATOM 0 HA HIS A 79 84.789 -0.974 15.167 1.00 1.00 H new ATOM 0 HB2 HIS A 79 82.190 -0.215 13.922 1.00 1.00 H new ATOM 0 HB3 HIS A 79 82.209 -0.073 15.669 1.00 1.00 H new ATOM 0 HD2 HIS A 79 83.910 1.608 12.553 1.00 1.00 H new ATOM 0 HE1 HIS A 79 85.261 3.639 16.001 1.00 1.00 H new ATOM 0 HE2 HIS A 79 85.254 3.692 13.443 1.00 1.00 H new ATOM 1172 N GLU A 80 83.594 -3.571 15.751 1.00 1.00 N ATOM 1173 CA GLU A 80 83.117 -4.606 16.716 1.00 1.00 C ATOM 1174 C GLU A 80 81.595 -4.741 16.615 1.00 1.00 C ATOM 1175 O GLU A 80 81.059 -5.831 16.654 1.00 1.00 O ATOM 1176 CB GLU A 80 83.504 -4.216 18.146 1.00 1.00 C ATOM 1177 CG GLU A 80 84.947 -3.707 18.167 1.00 1.00 C ATOM 1178 CD GLU A 80 85.487 -3.763 19.597 1.00 1.00 C ATOM 1179 OE1 GLU A 80 84.759 -3.382 20.500 1.00 1.00 O ATOM 1180 OE2 GLU A 80 86.619 -4.185 19.766 1.00 1.00 O ATOM 0 H GLU A 80 84.170 -3.927 14.988 1.00 1.00 H new ATOM 0 HA GLU A 80 83.585 -5.559 16.471 1.00 1.00 H new ATOM 0 HB2 GLU A 80 82.830 -3.444 18.518 1.00 1.00 H new ATOM 0 HB3 GLU A 80 83.401 -5.075 18.808 1.00 1.00 H new ATOM 0 HG2 GLU A 80 85.568 -4.315 17.508 1.00 1.00 H new ATOM 0 HG3 GLU A 80 84.989 -2.685 17.791 1.00 1.00 H new ATOM 1187 N LEU A 81 80.892 -3.647 16.475 1.00 1.00 N ATOM 1188 CA LEU A 81 79.408 -3.725 16.359 1.00 1.00 C ATOM 1189 C LEU A 81 79.033 -3.687 14.878 1.00 1.00 C ATOM 1190 O LEU A 81 77.887 -3.849 14.511 1.00 1.00 O ATOM 1191 CB LEU A 81 78.765 -2.531 17.080 1.00 1.00 C ATOM 1192 CG LEU A 81 78.620 -2.847 18.570 1.00 1.00 C ATOM 1193 CD1 LEU A 81 77.623 -3.992 18.755 1.00 1.00 C ATOM 1194 CD2 LEU A 81 79.980 -3.260 19.136 1.00 1.00 C ATOM 0 H LEU A 81 81.282 -2.705 16.436 1.00 1.00 H new ATOM 0 HA LEU A 81 79.050 -4.648 16.815 1.00 1.00 H new ATOM 0 HB2 LEU A 81 79.377 -1.639 16.945 1.00 1.00 H new ATOM 0 HB3 LEU A 81 77.788 -2.315 16.647 1.00 1.00 H new ATOM 0 HG LEU A 81 78.259 -1.963 19.096 1.00 1.00 H new ATOM 0 HD11 LEU A 81 77.520 -4.217 19.817 1.00 1.00 H new ATOM 0 HD12 LEU A 81 76.654 -3.700 18.350 1.00 1.00 H new ATOM 0 HD13 LEU A 81 77.983 -4.877 18.230 1.00 1.00 H new ATOM 0 HD21 LEU A 81 79.879 -3.486 20.198 1.00 1.00 H new ATOM 0 HD22 LEU A 81 80.340 -4.144 18.610 1.00 1.00 H new ATOM 0 HD23 LEU A 81 80.692 -2.445 19.004 1.00 1.00 H new ATOM 1206 N ALA A 82 79.997 -3.472 14.026 1.00 1.00 N ATOM 1207 CA ALA A 82 79.706 -3.418 12.567 1.00 1.00 C ATOM 1208 C ALA A 82 79.047 -4.726 12.124 1.00 1.00 C ATOM 1209 O ALA A 82 78.464 -4.807 11.061 1.00 1.00 O ATOM 1210 CB ALA A 82 81.009 -3.219 11.795 1.00 1.00 C ATOM 0 H ALA A 82 80.975 -3.331 14.278 1.00 1.00 H new ATOM 0 HA ALA A 82 79.031 -2.587 12.365 1.00 1.00 H new ATOM 0 HB1 ALA A 82 80.797 -3.179 10.727 1.00 1.00 H new ATOM 0 HB2 ALA A 82 81.478 -2.286 12.107 1.00 1.00 H new ATOM 0 HB3 ALA A 82 81.684 -4.050 12.000 1.00 1.00 H new ATOM 1216 N GLN A 83 79.133 -5.750 12.930 1.00 1.00 N ATOM 1217 CA GLN A 83 78.506 -7.051 12.554 1.00 1.00 C ATOM 1218 C GLN A 83 77.087 -6.793 12.047 1.00 1.00 C ATOM 1219 O GLN A 83 76.504 -7.602 11.354 1.00 1.00 O ATOM 1220 CB GLN A 83 78.458 -7.968 13.780 1.00 1.00 C ATOM 1221 CG GLN A 83 78.130 -7.140 15.024 1.00 1.00 C ATOM 1222 CD GLN A 83 77.886 -8.076 16.210 1.00 1.00 C ATOM 1223 OE1 GLN A 83 78.166 -9.256 16.136 1.00 1.00 O ATOM 1224 NE2 GLN A 83 77.372 -7.595 17.309 1.00 1.00 N ATOM 0 H GLN A 83 79.610 -5.742 13.832 1.00 1.00 H new ATOM 0 HA GLN A 83 79.092 -7.531 11.771 1.00 1.00 H new ATOM 0 HB2 GLN A 83 77.706 -8.744 13.638 1.00 1.00 H new ATOM 0 HB3 GLN A 83 79.416 -8.472 13.908 1.00 1.00 H new ATOM 0 HG2 GLN A 83 78.951 -6.459 15.247 1.00 1.00 H new ATOM 0 HG3 GLN A 83 77.247 -6.527 14.843 1.00 1.00 H new ATOM 0 HE21 GLN A 83 77.137 -6.604 17.371 1.00 1.00 H new ATOM 0 HE22 GLN A 83 77.205 -8.210 18.106 1.00 1.00 H new ATOM 1233 N TYR A 84 76.533 -5.660 12.384 1.00 1.00 N ATOM 1234 CA TYR A 84 75.157 -5.325 11.922 1.00 1.00 C ATOM 1235 C TYR A 84 75.096 -3.830 11.596 1.00 1.00 C ATOM 1236 O TYR A 84 74.452 -3.414 10.652 1.00 1.00 O ATOM 1237 CB TYR A 84 74.146 -5.652 13.027 1.00 1.00 C ATOM 1238 CG TYR A 84 74.283 -7.102 13.424 1.00 1.00 C ATOM 1239 CD1 TYR A 84 74.022 -8.112 12.490 1.00 1.00 C ATOM 1240 CD2 TYR A 84 74.670 -7.437 14.727 1.00 1.00 C ATOM 1241 CE1 TYR A 84 74.148 -9.456 12.859 1.00 1.00 C ATOM 1242 CE2 TYR A 84 74.797 -8.782 15.096 1.00 1.00 C ATOM 1243 CZ TYR A 84 74.536 -9.792 14.162 1.00 1.00 C ATOM 1244 OH TYR A 84 74.661 -11.117 14.525 1.00 1.00 O ATOM 0 H TYR A 84 76.978 -4.948 12.963 1.00 1.00 H new ATOM 0 HA TYR A 84 74.914 -5.909 11.034 1.00 1.00 H new ATOM 0 HB2 TYR A 84 74.316 -5.010 13.891 1.00 1.00 H new ATOM 0 HB3 TYR A 84 73.133 -5.454 12.677 1.00 1.00 H new ATOM 0 HD1 TYR A 84 73.723 -7.854 11.485 1.00 1.00 H new ATOM 0 HD2 TYR A 84 74.871 -6.658 15.448 1.00 1.00 H new ATOM 0 HE1 TYR A 84 73.946 -10.235 12.138 1.00 1.00 H new ATOM 0 HE2 TYR A 84 75.096 -9.040 16.101 1.00 1.00 H new ATOM 0 HH TYR A 84 74.939 -11.174 15.463 1.00 1.00 H new ATOM 1254 N GLY A 85 75.772 -3.020 12.369 1.00 1.00 N ATOM 1255 CA GLY A 85 75.764 -1.552 12.109 1.00 1.00 C ATOM 1256 C GLY A 85 74.330 -1.081 11.869 1.00 1.00 C ATOM 1257 O GLY A 85 74.100 -0.098 11.193 1.00 1.00 O ATOM 0 H GLY A 85 76.330 -3.314 13.171 1.00 1.00 H new ATOM 0 HA2 GLY A 85 76.195 -1.020 12.957 1.00 1.00 H new ATOM 0 HA3 GLY A 85 76.383 -1.323 11.241 1.00 1.00 H new ATOM 1261 N ILE A 86 73.366 -1.780 12.414 1.00 1.00 N ATOM 1262 CA ILE A 86 71.934 -1.387 12.218 1.00 1.00 C ATOM 1263 C ILE A 86 71.748 -0.774 10.828 1.00 1.00 C ATOM 1264 O ILE A 86 70.996 0.164 10.644 1.00 1.00 O ATOM 1265 CB ILE A 86 71.511 -0.380 13.296 1.00 1.00 C ATOM 1266 CG1 ILE A 86 72.469 0.814 13.281 1.00 1.00 C ATOM 1267 CG2 ILE A 86 71.558 -1.052 14.670 1.00 1.00 C ATOM 1268 CD1 ILE A 86 71.902 1.934 14.154 1.00 1.00 C ATOM 0 H ILE A 86 73.509 -2.610 12.989 1.00 1.00 H new ATOM 0 HA ILE A 86 71.309 -2.276 12.302 1.00 1.00 H new ATOM 0 HB ILE A 86 70.496 -0.037 13.094 1.00 1.00 H new ATOM 0 HG12 ILE A 86 73.449 0.512 13.650 1.00 1.00 H new ATOM 0 HG13 ILE A 86 72.608 1.169 12.260 1.00 1.00 H new ATOM 0 HG21 ILE A 86 71.258 -0.337 15.435 1.00 1.00 H new ATOM 0 HG22 ILE A 86 70.878 -1.903 14.682 1.00 1.00 H new ATOM 0 HG23 ILE A 86 72.572 -1.395 14.873 1.00 1.00 H new ATOM 0 HD11 ILE A 86 72.584 2.784 14.143 1.00 1.00 H new ATOM 0 HD12 ILE A 86 70.932 2.242 13.765 1.00 1.00 H new ATOM 0 HD13 ILE A 86 71.786 1.575 15.177 1.00 1.00 H new ATOM 1280 N CYS A 87 72.430 -1.302 9.847 1.00 1.00 N ATOM 1281 CA CYS A 87 72.301 -0.760 8.464 1.00 1.00 C ATOM 1282 C CYS A 87 70.916 -1.101 7.910 1.00 1.00 C ATOM 1283 CB CYS A 87 73.377 -1.386 7.574 1.00 1.00 C ATOM 1284 SG CYS A 87 73.040 -0.984 5.842 1.00 1.00 S ATOM 0 H CYS A 87 73.073 -2.088 9.945 1.00 1.00 H new ATOM 0 HA CYS A 87 72.427 0.323 8.481 1.00 1.00 H new ATOM 0 HB2 CYS A 87 74.361 -1.014 7.859 1.00 1.00 H new ATOM 0 HB3 CYS A 87 73.393 -2.467 7.711 1.00 1.00 H new TER 1289 CYS A 87 HETATM 1290 C1C RCY A 110 61.708 -12.232 0.561 1.00 1.00 C HETATM 1291 O1G RCY A 110 62.258 -9.684 -0.485 1.00 1.00 O HETATM 1292 O1H RCY A 110 58.150 -10.660 -2.599 1.00 1.00 O HETATM 1293 O1J RCY A 110 62.475 -9.717 2.030 1.00 1.00 O HETATM 1294 C1L RCY A 110 61.431 -9.364 -2.765 1.00 1.00 C HETATM 1295 C1M RCY A 110 58.780 -10.024 1.051 1.00 1.00 C HETATM 1296 C1P RCY A 110 61.356 -9.834 -1.307 1.00 1.00 C HETATM 1297 C1Q RCY A 110 59.351 -10.527 -2.371 1.00 1.00 C HETATM 1298 N1R RCY A 110 60.021 -10.512 -1.002 1.00 1.00 N HETATM 1299 C1S RCY A 110 60.445 -10.345 -3.408 1.00 1.00 C HETATM 1300 C1U RCY A 110 59.485 -11.043 0.329 1.00 1.00 C HETATM 1301 C1V RCY A 110 60.047 -12.263 2.476 1.00 1.00 C HETATM 1302 N1V RCY A 110 61.098 -10.111 1.745 1.00 1.00 N HETATM 1303 C1W RCY A 110 59.842 -9.248 1.841 1.00 1.00 C HETATM 1304 C1X RCY A 110 60.596 -11.472 1.286 1.00 1.00 C HETATM 1305 C1Y RCY A 110 59.414 -9.086 3.303 1.00 1.00 C HETATM 1306 C1Z RCY A 110 60.120 -7.885 1.207 1.00 1.00 C HETATM 0 H1ZB RCY A 110 60.480 -8.024 0.188 1.00 1.00 H new HETATM 0 H1ZA RCY A 110 59.202 -7.297 1.191 1.00 1.00 H new HETATM 0 H1YB RCY A 110 58.472 -8.540 3.348 1.00 1.00 H new HETATM 0 H1YA RCY A 110 59.286 -10.069 3.756 1.00 1.00 H new HETATM 0 H1VB RCY A 110 59.640 -13.211 2.126 1.00 1.00 H new HETATM 0 H1VA RCY A 110 60.850 -12.454 3.188 1.00 1.00 H new HETATM 0 H1MA RCY A 110 58.243 -9.365 0.369 1.00 1.00 H new HETATM 0 H1LA RCY A 110 61.124 -8.325 -2.885 1.00 1.00 H new HETATM 0 H1CB RCY A 110 61.294 -13.126 0.095 1.00 1.00 H new HETATM 0 H1CA RCY A 110 62.145 -11.593 -0.206 1.00 1.00 H new HETATM 0 H1Z RCY A 110 60.877 -7.360 1.790 1.00 1.00 H new HETATM 0 H1Y RCY A 110 60.180 -8.533 3.847 1.00 1.00 H new HETATM 0 H1V RCY A 110 59.260 -11.688 2.963 1.00 1.00 H new HETATM 0 H1U RCY A 110 58.851 -11.884 0.048 1.00 1.00 H new HETATM 0 H1S RCY A 110 60.928 -11.293 -3.645 1.00 1.00 H new HETATM 0 H1M RCY A 110 58.040 -10.462 1.720 1.00 1.00 H new HETATM 0 H1L RCY A 110 62.435 -9.450 -3.180 1.00 1.00 H new HETATM 0 H1C RCY A 110 62.479 -12.519 1.276 1.00 1.00 H new HETATM 1309 C1C RCY A 121 59.588 -4.710 4.709 1.00 1.00 C HETATM 1310 O1G RCY A 121 56.758 -5.063 6.984 1.00 1.00 O HETATM 1311 O1H RCY A 121 58.999 -0.906 6.988 1.00 1.00 O HETATM 1312 O1J RCY A 121 57.248 -6.606 4.733 1.00 1.00 O HETATM 1313 C1L RCY A 121 57.683 -3.660 8.763 1.00 1.00 C HETATM 1314 C1M RCY A 121 56.382 -2.883 4.424 1.00 1.00 C HETATM 1315 C1P RCY A 121 57.372 -4.049 7.312 1.00 1.00 C HETATM 1316 C1Q RCY A 121 58.669 -2.063 7.244 1.00 1.00 C HETATM 1317 N1R RCY A 121 57.920 -3.020 6.325 1.00 1.00 N HETATM 1318 C1S RCY A 121 58.934 -2.803 8.543 1.00 1.00 C HETATM 1319 C1U RCY A 121 57.764 -2.956 4.804 1.00 1.00 C HETATM 1320 C1V RCY A 121 58.381 -4.018 2.590 1.00 1.00 C HETATM 1321 N1V RCY A 121 57.144 -5.182 4.430 1.00 1.00 N HETATM 1322 C1W RCY A 121 55.877 -4.330 4.370 1.00 1.00 C HETATM 1323 C1X RCY A 121 58.273 -4.214 4.103 1.00 1.00 C HETATM 1324 C1Y RCY A 121 55.120 -4.587 3.064 1.00 1.00 C HETATM 1325 C1Z RCY A 121 54.997 -4.657 5.576 1.00 1.00 C HETATM 0 H1VB RCY A 121 59.156 -3.283 2.373 1.00 1.00 H new HETATM 0 H1VA RCY A 121 58.638 -4.966 2.118 1.00 1.00 H new HETATM 0 H1MA RCY A 121 55.810 -2.298 5.144 1.00 1.00 H new HETATM 0 H1LA RCY A 121 56.871 -3.101 9.228 1.00 1.00 H new HETATM 0 H1CB RCY A 121 60.348 -3.934 4.614 1.00 1.00 H new HETATM 0 H1CA RCY A 121 59.438 -4.943 5.763 1.00 1.00 H new HETATM 0 H1Y RCY A 121 54.769 -5.619 3.044 1.00 1.00 H new HETATM 0 H1V RCY A 121 57.426 -3.665 2.200 1.00 1.00 H new HETATM 0 H1U RCY A 121 58.335 -2.075 4.512 1.00 1.00 H new HETATM 0 H1S RCY A 121 59.830 -3.420 8.472 1.00 1.00 H new HETATM 0 H1L RCY A 121 57.877 -4.527 9.395 1.00 1.00 H new HETATM 0 H1C RCY A 121 59.916 -5.606 4.182 1.00 1.00 H new HETATM 1328 C1C RCY A 130 71.169 15.073 -1.276 1.00 1.00 C HETATM 1329 O1G RCY A 130 71.448 10.799 2.214 1.00 1.00 O HETATM 1330 O1H RCY A 130 71.464 15.454 1.417 1.00 1.00 O HETATM 1331 O1J RCY A 130 69.809 13.713 -3.593 1.00 1.00 O HETATM 1332 C1L RCY A 130 71.732 12.747 3.668 1.00 1.00 C HETATM 1333 C1M RCY A 130 70.401 11.540 -0.489 1.00 1.00 C HETATM 1334 C1P RCY A 130 71.535 12.020 2.331 1.00 1.00 C HETATM 1335 C1Q RCY A 130 71.737 14.335 1.849 1.00 1.00 C HETATM 1336 N1R RCY A 130 71.461 13.003 1.163 1.00 1.00 N HETATM 1337 C1S RCY A 130 72.413 14.027 3.173 1.00 1.00 C HETATM 1338 C1U RCY A 130 71.183 12.730 -0.316 1.00 1.00 C HETATM 1339 C1V RCY A 130 69.094 14.152 -0.147 1.00 1.00 C HETATM 1340 N1V RCY A 130 69.947 13.123 -2.265 1.00 1.00 N HETATM 1341 C1W RCY A 130 69.731 11.665 -1.864 1.00 1.00 C HETATM 1342 C1X RCY A 130 70.340 13.823 -0.972 1.00 1.00 C HETATM 1343 C1Y RCY A 130 68.235 11.354 -1.764 1.00 1.00 C HETATM 1344 C1Z RCY A 130 70.402 10.757 -2.894 1.00 1.00 C HETATM 0 H1ZB RCY A 130 71.452 11.034 -2.994 1.00 1.00 H new HETATM 0 H1ZA RCY A 130 70.330 9.720 -2.567 1.00 1.00 H new HETATM 0 H1YB RCY A 130 68.099 10.337 -1.396 1.00 1.00 H new HETATM 0 H1YA RCY A 130 67.763 12.055 -1.076 1.00 1.00 H new HETATM 0 H1VB RCY A 130 69.393 14.602 0.800 1.00 1.00 H new HETATM 0 H1VA RCY A 130 68.466 14.852 -0.699 1.00 1.00 H new HETATM 0 H1MA RCY A 130 71.030 10.651 -0.441 1.00 1.00 H new HETATM 0 H1LA RCY A 130 70.789 12.946 4.178 1.00 1.00 H new HETATM 0 H1CB RCY A 130 71.582 15.470 -0.349 1.00 1.00 H new HETATM 0 H1CA RCY A 130 71.982 14.814 -1.954 1.00 1.00 H new HETATM 0 H1Z RCY A 130 69.904 10.869 -3.857 1.00 1.00 H new HETATM 0 H1Y RCY A 130 67.777 11.448 -2.749 1.00 1.00 H new HETATM 0 H1V RCY A 130 68.534 13.237 0.047 1.00 1.00 H new HETATM 0 H1U RCY A 130 72.173 12.661 -0.767 1.00 1.00 H new HETATM 0 H1S RCY A 130 73.486 13.881 3.046 1.00 1.00 H new HETATM 0 H1M RCY A 130 69.655 11.446 0.300 1.00 1.00 H new HETATM 0 H1L RCY A 130 72.356 12.184 4.361 1.00 1.00 H new HETATM 0 H1C RCY A 130 70.534 15.826 -1.742 1.00 1.00 H new HETATM 1347 C1C RCY A 138 76.424 9.730 4.465 1.00 1.00 C HETATM 1348 O1G RCY A 138 78.004 7.927 5.644 1.00 1.00 O HETATM 1349 O1H RCY A 138 81.873 10.591 5.158 1.00 1.00 O HETATM 1350 O1J RCY A 138 75.784 11.927 2.506 1.00 1.00 O HETATM 1351 C1L RCY A 138 80.355 7.587 6.228 1.00 1.00 C HETATM 1352 C1M RCY A 138 79.476 11.581 3.488 1.00 1.00 C HETATM 1353 C1P RCY A 138 79.161 8.344 5.634 1.00 1.00 C HETATM 1354 C1Q RCY A 138 81.102 9.633 5.185 1.00 1.00 C HETATM 1355 N1R RCY A 138 79.587 9.680 5.027 1.00 1.00 N HETATM 1356 C1S RCY A 138 81.488 8.178 5.381 1.00 1.00 C HETATM 1357 C1U RCY A 138 78.724 10.787 4.417 1.00 1.00 C HETATM 1358 C1V RCY A 138 78.032 9.184 2.582 1.00 1.00 C HETATM 1359 N1V RCY A 138 77.140 11.509 2.853 1.00 1.00 N HETATM 1360 C1W RCY A 138 78.447 12.244 2.563 1.00 1.00 C HETATM 1361 C1X RCY A 138 77.565 10.243 3.584 1.00 1.00 C HETATM 1362 C1Y RCY A 138 78.847 12.067 1.096 1.00 1.00 C HETATM 1363 C1Z RCY A 138 78.272 13.726 2.899 1.00 1.00 C HETATM 0 H1ZB RCY A 138 77.929 13.828 3.929 1.00 1.00 H new HETATM 0 H1ZA RCY A 138 79.226 14.241 2.782 1.00 1.00 H new HETATM 0 H1YB RCY A 138 79.821 12.526 0.926 1.00 1.00 H new HETATM 0 H1YA RCY A 138 78.901 11.004 0.859 1.00 1.00 H new HETATM 0 H1VB RCY A 138 78.385 8.305 3.120 1.00 1.00 H new HETATM 0 H1VA RCY A 138 77.201 8.904 1.935 1.00 1.00 H new HETATM 0 H1MA RCY A 138 80.071 12.331 4.009 1.00 1.00 H new HETATM 0 H1LA RCY A 138 80.485 7.782 7.293 1.00 1.00 H new HETATM 0 H1CB RCY A 138 76.791 8.928 5.105 1.00 1.00 H new HETATM 0 H1CA RCY A 138 76.048 10.545 5.084 1.00 1.00 H new HETATM 0 H1Z RCY A 138 77.537 14.167 2.226 1.00 1.00 H new HETATM 0 H1Y RCY A 138 78.105 12.544 0.456 1.00 1.00 H new HETATM 0 H1V RCY A 138 78.843 9.589 1.976 1.00 1.00 H new HETATM 0 H1U RCY A 138 78.368 11.356 5.276 1.00 1.00 H new HETATM 0 H1S RCY A 138 81.580 7.660 4.426 1.00 1.00 H new HETATM 0 H1M RCY A 138 80.170 10.962 2.919 1.00 1.00 H new HETATM 0 H1L RCY A 138 80.265 6.507 6.110 1.00 1.00 H new HETATM 0 H1C RCY A 138 75.619 9.352 3.835 1.00 1.00 H new HETATM 1366 C1C RCY A 150 83.289 0.570 -1.722 1.00 1.00 C HETATM 1367 O1G RCY A 150 83.208 0.191 -3.693 1.00 1.00 O HETATM 1368 O1H RCY A 150 85.990 3.810 -4.901 1.00 1.00 O HETATM 1369 O1J RCY A 150 86.106 -0.360 -1.200 1.00 1.00 O HETATM 1370 C1L RCY A 150 84.259 0.865 -5.797 1.00 1.00 C HETATM 1371 C1M RCY A 150 85.681 3.390 -1.884 1.00 1.00 C HETATM 1372 C1P RCY A 150 83.892 1.003 -4.314 1.00 1.00 C HETATM 1373 C1Q RCY A 150 85.117 2.943 -4.916 1.00 1.00 C HETATM 1374 N1R RCY A 150 84.480 2.274 -3.704 1.00 1.00 N HETATM 1375 C1S RCY A 150 84.474 2.341 -6.151 1.00 1.00 C HETATM 1376 C1U RCY A 150 84.446 2.759 -2.253 1.00 1.00 C HETATM 1377 C1V RCY A 150 83.975 2.131 0.154 1.00 1.00 C HETATM 1378 N1V RCY A 150 85.710 1.043 -1.287 1.00 1.00 N HETATM 1379 C1W RCY A 150 86.619 2.262 -1.436 1.00 1.00 C HETATM 1380 C1X RCY A 150 84.300 1.617 -1.250 1.00 1.00 C HETATM 1381 C1Y RCY A 150 87.275 2.608 -0.097 1.00 1.00 C HETATM 1382 C1Z RCY A 150 87.680 1.968 -2.496 1.00 1.00 C HETATM 0 H1ZB RCY A 150 87.194 1.666 -3.424 1.00 1.00 H new HETATM 0 H1ZA RCY A 150 88.275 2.864 -2.673 1.00 1.00 H new HETATM 0 H1YB RCY A 150 87.852 3.527 -0.201 1.00 1.00 H new HETATM 0 H1YA RCY A 150 86.504 2.748 0.661 1.00 1.00 H new HETATM 0 H1VB RCY A 150 82.985 2.588 0.154 1.00 1.00 H new HETATM 0 H1VA RCY A 150 83.991 1.299 0.859 1.00 1.00 H new HETATM 0 H1MA RCY A 150 86.105 3.938 -2.725 1.00 1.00 H new HETATM 0 H1LA RCY A 150 85.155 0.264 -5.951 1.00 1.00 H new HETATM 0 H1CB RCY A 150 82.313 1.038 -1.850 1.00 1.00 H new HETATM 0 H1CA RCY A 150 83.617 0.150 -2.672 1.00 1.00 H new HETATM 0 H1Z RCY A 150 88.329 1.164 -2.148 1.00 1.00 H new HETATM 0 H1Y RCY A 150 87.937 1.796 0.205 1.00 1.00 H new HETATM 0 H1V RCY A 150 84.717 2.872 0.451 1.00 1.00 H new HETATM 0 H1U RCY A 150 83.593 3.436 -2.216 1.00 1.00 H new HETATM 0 H1S RCY A 150 83.530 2.833 -6.386 1.00 1.00 H new HETATM 0 H1M RCY A 150 85.526 4.110 -1.080 1.00 1.00 H new HETATM 0 H1L RCY A 150 83.463 0.407 -6.383 1.00 1.00 H new HETATM 0 H1C RCY A 150 83.215 -0.225 -0.980 1.00 1.00 H new HETATM 1385 C1C RCY A 160 66.246 6.975 -3.507 1.00 1.00 C HETATM 1386 O1G RCY A 160 70.398 9.628 -1.142 1.00 1.00 O HETATM 1387 O1H RCY A 160 68.734 7.079 -4.752 1.00 1.00 O HETATM 1388 O1J RCY A 160 64.184 7.486 -1.373 1.00 1.00 O HETATM 1389 C1L RCY A 160 71.253 9.139 -3.382 1.00 1.00 C HETATM 1390 C1M RCY A 160 67.746 8.658 -0.573 1.00 1.00 C HETATM 1391 C1P RCY A 160 70.264 9.040 -2.214 1.00 1.00 C HETATM 1392 C1Q RCY A 160 69.484 7.587 -3.920 1.00 1.00 C HETATM 1393 N1R RCY A 160 69.091 8.120 -2.548 1.00 1.00 N HETATM 1394 C1S RCY A 160 70.979 7.799 -4.073 1.00 1.00 C HETATM 1395 C1U RCY A 160 67.840 7.807 -1.724 1.00 1.00 C HETATM 1396 C1V RCY A 160 66.543 9.465 -3.132 1.00 1.00 C HETATM 1397 N1V RCY A 160 65.540 8.024 -1.345 1.00 1.00 N HETATM 1398 C1W RCY A 160 66.268 8.661 -0.163 1.00 1.00 C HETATM 1399 C1X RCY A 160 66.544 8.077 -2.488 1.00 1.00 C HETATM 1400 C1Y RCY A 160 65.775 10.093 0.061 1.00 1.00 C HETATM 1401 C1Z RCY A 160 66.036 7.810 1.085 1.00 1.00 C HETATM 0 H1ZB RCY A 160 66.338 6.782 0.886 1.00 1.00 H new HETATM 0 H1ZA RCY A 160 66.625 8.208 1.911 1.00 1.00 H new HETATM 0 H1YB RCY A 160 66.362 10.560 0.852 1.00 1.00 H new HETATM 0 H1YA RCY A 160 65.887 10.665 -0.860 1.00 1.00 H new HETATM 0 H1VB RCY A 160 67.305 9.505 -3.911 1.00 1.00 H new HETATM 0 H1VA RCY A 160 65.565 9.662 -3.571 1.00 1.00 H new HETATM 0 H1MA RCY A 160 68.374 8.288 0.237 1.00 1.00 H new HETATM 0 H1LA RCY A 160 71.050 9.992 -4.030 1.00 1.00 H new HETATM 0 H1CB RCY A 160 67.062 6.915 -4.227 1.00 1.00 H new HETATM 0 H1CA RCY A 160 66.147 6.020 -2.991 1.00 1.00 H new HETATM 0 H1Z RCY A 160 64.979 7.833 1.350 1.00 1.00 H new HETATM 0 H1Y RCY A 160 64.724 10.075 0.351 1.00 1.00 H new HETATM 0 H1V RCY A 160 66.759 10.218 -2.374 1.00 1.00 H new HETATM 0 H1U RCY A 160 67.944 6.752 -1.469 1.00 1.00 H new HETATM 0 H1S RCY A 160 71.543 6.991 -3.608 1.00 1.00 H new HETATM 0 H1M RCY A 160 68.088 9.667 -0.806 1.00 1.00 H new HETATM 0 H1L RCY A 160 72.286 9.232 -3.047 1.00 1.00 H new HETATM 0 H1C RCY A 160 65.317 7.204 -4.029 1.00 1.00 H new HETATM 1404 C1C RCY A 168 70.732 -1.059 -4.690 1.00 1.00 C HETATM 1405 O1G RCY A 168 71.402 -5.641 -7.150 1.00 1.00 O HETATM 1406 O1H RCY A 168 71.472 -3.764 -2.817 1.00 1.00 O HETATM 1407 O1J RCY A 168 67.861 -0.249 -5.102 1.00 1.00 O HETATM 1408 C1L RCY A 168 72.710 -6.120 -5.138 1.00 1.00 C HETATM 1409 C1M RCY A 168 68.655 -3.956 -5.683 1.00 1.00 C HETATM 1410 C1P RCY A 168 71.680 -5.362 -5.985 1.00 1.00 C HETATM 1411 C1Q RCY A 168 71.818 -4.255 -3.891 1.00 1.00 C HETATM 1412 N1R RCY A 168 71.041 -4.217 -5.201 1.00 1.00 N HETATM 1413 C1S RCY A 168 73.106 -5.014 -4.155 1.00 1.00 C HETATM 1414 C1U RCY A 168 69.913 -3.270 -5.614 1.00 1.00 C HETATM 1415 C1V RCY A 168 69.542 -2.705 -3.174 1.00 1.00 C HETATM 1416 N1V RCY A 168 68.326 -1.633 -5.083 1.00 1.00 N HETATM 1417 C1W RCY A 168 67.572 -2.878 -5.546 1.00 1.00 C HETATM 1418 C1X RCY A 168 69.670 -2.157 -4.596 1.00 1.00 C HETATM 1419 C1Y RCY A 168 66.530 -3.292 -4.503 1.00 1.00 C HETATM 1420 C1Z RCY A 168 66.903 -2.588 -6.889 1.00 1.00 C HETATM 0 H1ZB RCY A 168 67.651 -2.238 -7.600 1.00 1.00 H new HETATM 0 H1ZA RCY A 168 66.439 -3.498 -7.269 1.00 1.00 H new HETATM 0 H1YB RCY A 168 66.061 -4.227 -4.809 1.00 1.00 H new HETATM 0 H1YA RCY A 168 67.016 -3.429 -3.537 1.00 1.00 H new HETATM 0 H1VB RCY A 168 70.497 -3.126 -2.859 1.00 1.00 H new HETATM 0 H1VA RCY A 168 69.260 -1.898 -2.497 1.00 1.00 H new HETATM 0 H1MA RCY A 168 68.555 -4.491 -6.627 1.00 1.00 H new HETATM 0 H1CB RCY A 168 71.716 -1.487 -4.500 1.00 1.00 H new HETATM 0 H1CA RCY A 168 70.714 -0.620 -5.687 1.00 1.00 H new HETATM 0 H1Z RCY A 168 66.141 -1.820 -6.757 1.00 1.00 H new HETATM 0 H1Y RCY A 168 65.770 -2.515 -4.420 1.00 1.00 H new HETATM 0 H1V RCY A 168 68.778 -3.482 -3.151 1.00 1.00 H new HETATM 0 H1U RCY A 168 70.236 -2.871 -6.575 1.00 1.00 H new HETATM 0 H1S RCY A 168 73.870 -4.362 -4.579 1.00 1.00 H new HETATM 0 H1M RCY A 168 68.571 -4.696 -4.887 1.00 1.00 H new HETATM 0 H1C RCY A 168 70.523 -0.287 -3.950 1.00 1.00 H new HETATM 1423 C1C RCY A 173 79.883 -2.478 3.187 1.00 1.00 C HETATM 1424 O1G RCY A 173 80.051 -6.018 5.312 1.00 1.00 O HETATM 1425 O1H RCY A 173 82.243 -5.636 1.147 1.00 1.00 O HETATM 1426 O1J RCY A 173 76.964 -2.051 2.582 1.00 1.00 O HETATM 1427 C1L RCY A 173 82.243 -6.741 4.500 1.00 1.00 C HETATM 1428 C1M RCY A 173 78.208 -5.672 2.358 1.00 1.00 C HETATM 1429 C1P RCY A 173 80.850 -6.109 4.381 1.00 1.00 C HETATM 1430 C1Q RCY A 173 81.825 -6.071 2.219 1.00 1.00 C HETATM 1431 N1R RCY A 173 80.580 -5.607 2.964 1.00 1.00 N HETATM 1432 C1S RCY A 173 82.460 -7.174 3.046 1.00 1.00 C HETATM 1433 C1U RCY A 173 79.374 -4.838 2.422 1.00 1.00 C HETATM 1434 C1V RCY A 173 78.811 -4.127 4.786 1.00 1.00 C HETATM 1435 N1V RCY A 173 77.583 -3.364 2.741 1.00 1.00 N HETATM 1436 C1W RCY A 173 77.003 -4.723 2.355 1.00 1.00 C HETATM 1437 C1X RCY A 173 78.951 -3.683 3.329 1.00 1.00 C HETATM 1438 C1Y RCY A 173 75.961 -5.172 3.383 1.00 1.00 C HETATM 1439 C1Z RCY A 173 76.378 -4.623 0.963 1.00 1.00 C HETATM 0 H1ZB RCY A 173 77.118 -4.245 0.258 1.00 1.00 H new HETATM 0 H1ZA RCY A 173 76.043 -5.610 0.643 1.00 1.00 H new HETATM 0 H1YB RCY A 173 75.619 -6.178 3.139 1.00 1.00 H new HETATM 0 H1YA RCY A 173 76.407 -5.172 4.377 1.00 1.00 H new HETATM 0 H1VA RCY A 173 78.402 -3.308 5.378 1.00 1.00 H new HETATM 0 H1MA RCY A 173 78.220 -6.289 1.460 1.00 1.00 H new HETATM 0 H1LA RCY A 173 82.996 -6.030 4.841 1.00 1.00 H new HETATM 0 H1Z RCY A 173 75.527 -3.943 0.994 1.00 1.00 H new HETATM 0 H1Y RCY A 173 75.114 -4.486 3.366 1.00 1.00 H new HETATM 0 H1S RCY A 173 81.993 -8.138 2.846 1.00 1.00 H new HETATM 0 H1M RCY A 173 78.167 -6.350 3.210 1.00 1.00 H new HETATM 0 H1L RCY A 173 82.262 -7.582 5.193 1.00 1.00 H new HETATM 1442 C1C RCY A 176 78.463 -2.303 4.241 1.00 1.00 C HETATM 1443 O1G RCY A 176 82.717 -4.203 4.751 1.00 1.00 O HETATM 1444 O1H RCY A 176 78.212 -5.617 4.669 1.00 1.00 O HETATM 1445 O1J RCY A 176 80.861 -0.559 4.770 1.00 1.00 O HETATM 1446 C1L RCY A 176 81.393 -5.661 6.203 1.00 1.00 C HETATM 1447 C1M RCY A 176 81.391 -3.423 2.275 1.00 1.00 C HETATM 1448 C1P RCY A 176 81.630 -4.710 5.023 1.00 1.00 C HETATM 1449 C1Q RCY A 176 79.315 -5.228 5.052 1.00 1.00 C HETATM 1450 N1R RCY A 176 80.348 -4.470 4.227 1.00 1.00 N HETATM 1451 C1S RCY A 176 79.898 -5.416 6.440 1.00 1.00 C HETATM 1452 C1U RCY A 176 80.143 -3.676 2.936 1.00 1.00 C HETATM 1453 C1V RCY A 176 79.099 -1.624 1.882 1.00 1.00 C HETATM 1454 N1V RCY A 176 80.801 -1.571 3.718 1.00 1.00 N HETATM 1455 C1W RCY A 176 81.962 -2.150 2.912 1.00 1.00 C HETATM 1456 C1X RCY A 176 79.567 -2.282 3.181 1.00 1.00 C HETATM 1457 C1Y RCY A 176 82.410 -1.161 1.832 1.00 1.00 C HETATM 1458 C1Z RCY A 176 83.117 -2.473 3.860 1.00 1.00 C HETATM 0 H1ZB RCY A 176 82.763 -3.129 4.655 1.00 1.00 H new HETATM 0 H1ZA RCY A 176 83.913 -2.971 3.307 1.00 1.00 H new HETATM 0 H1YB RCY A 176 83.180 -1.622 1.213 1.00 1.00 H new HETATM 0 H1YA RCY A 176 81.557 -0.892 1.209 1.00 1.00 H new HETATM 0 H1VB RCY A 176 78.250 -2.177 1.479 1.00 1.00 H new HETATM 0 H1MA RCY A 176 82.075 -4.262 2.401 1.00 1.00 H new HETATM 0 H1LA RCY A 176 81.611 -6.699 5.953 1.00 1.00 H new HETATM 0 H1CA RCY A 176 78.869 -2.676 5.181 1.00 1.00 H new HETATM 0 H1Z RCY A 176 83.500 -1.550 4.295 1.00 1.00 H new HETATM 0 H1Y RCY A 176 82.812 -0.264 2.304 1.00 1.00 H new HETATM 0 H1V RCY A 176 79.913 -1.630 1.157 1.00 1.00 H new HETATM 0 H1S RCY A 176 79.734 -4.535 7.061 1.00 1.00 H new HETATM 0 H1M RCY A 176 81.244 -3.290 1.203 1.00 1.00 H new HETATM 0 H1L RCY A 176 82.000 -5.408 7.072 1.00 1.00 H new HETATM 0 H1C RCY A 176 78.079 -1.293 4.387 1.00 1.00 H new HETATM 1461 C1C RCY A 187 76.757 -0.674 0.513 1.00 1.00 C HETATM 1462 O1G RCY A 187 77.991 -0.597 4.520 1.00 1.00 O HETATM 1463 O1H RCY A 187 73.566 0.487 3.278 1.00 1.00 O HETATM 1464 O1J RCY A 187 78.524 1.340 -0.862 1.00 1.00 O HETATM 1465 C1L RCY A 187 75.802 -1.159 5.460 1.00 1.00 C HETATM 1466 C1M RCY A 187 77.371 2.265 2.676 1.00 1.00 C HETATM 1467 C1P RCY A 187 76.768 -0.475 4.483 1.00 1.00 C HETATM 1468 C1Q RCY A 187 74.579 0.262 3.938 1.00 1.00 C HETATM 1469 N1R RCY A 187 76.021 0.378 3.459 1.00 1.00 N HETATM 1470 C1S RCY A 187 74.622 -0.183 5.388 1.00 1.00 C HETATM 1471 C1U RCY A 187 76.569 1.152 2.258 1.00 1.00 C HETATM 1472 C1V RCY A 187 78.588 -0.376 2.241 1.00 1.00 C HETATM 1473 N1V RCY A 187 78.143 1.413 0.545 1.00 1.00 N HETATM 1474 C1W RCY A 187 78.283 2.604 1.491 1.00 1.00 C HETATM 1475 C1X RCY A 187 77.516 0.317 1.397 1.00 1.00 C HETATM 1476 C1Y RCY A 187 79.735 2.752 1.954 1.00 1.00 C HETATM 1477 C1Z RCY A 187 77.815 3.870 0.773 1.00 1.00 C HETATM 0 H1ZB RCY A 187 76.802 3.723 0.399 1.00 1.00 H new HETATM 0 H1ZA RCY A 187 77.826 4.708 1.469 1.00 1.00 H new HETATM 0 H1YB RCY A 187 79.802 3.552 2.691 1.00 1.00 H new HETATM 0 H1YA RCY A 187 80.071 1.817 2.402 1.00 1.00 H new HETATM 0 H1MA RCY A 187 76.746 3.117 2.942 1.00 1.00 H new HETATM 0 H1LA RCY A 187 75.531 -2.166 5.143 1.00 1.00 H new HETATM 0 H1CB RCY A 187 76.178 -1.352 1.140 1.00 1.00 H new HETATM 0 H1CA RCY A 187 76.084 -0.129 -0.149 1.00 1.00 H new HETATM 0 H1Z RCY A 187 78.483 4.083 -0.062 1.00 1.00 H new HETATM 0 H1Y RCY A 187 80.367 2.993 1.099 1.00 1.00 H new HETATM 0 H1V RCY A 187 79.103 0.364 2.854 1.00 1.00 H new HETATM 0 H1U RCY A 187 75.680 1.451 1.703 1.00 1.00 H new HETATM 0 H1S RCY A 187 74.767 0.664 6.058 1.00 1.00 H new HETATM 0 H1M RCY A 187 77.958 2.012 3.559 1.00 1.00 H new HETATM 0 H1L RCY A 187 76.214 -1.242 6.466 1.00 1.00 H new HETATM 0 H1C RCY A 187 77.467 -1.248 -0.083 1.00 1.00 H new