USER MOD reduce.3.24.130724 H: found=0, std=0, add=794, rem=0, adj=15 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 31 LYS HZ1 : A 31 LYS NZ : A 130 RCY C1P :(NH2R) USER MOD NoAdj-H: A 31 LYS HZ2 : A 31 LYS NZ : A 130 RCY C1P :...(NH2R) USER MOD NoAdj-H: A 31 LYS HZ3 : A 31 LYS NZ : A 130 RCY C1P :...(NH2R) USER MOD NoAdj-H: A 34 GLNHE21 : A 34 GLN NE2 : A 138 RCY C1C :(H bumps) USER MOD NoAdj-H: A 34 GLNHE22 : A 34 GLN NE2 : A 138 RCY C1C :(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 RCYH1VB : A 121 RCY C1V : A 66 VAL CA :(H bumps) USER MOD NoAdj-H: A 121 RCYH1VA : A 121 RCY C1V : A 66 VAL CA :(H bumps) USER MOD NoAdj-H: A 121 RCYH1SA : A 121 RCY C1S : A 21 CYS SG :(H bumps) USER MOD NoAdj-H: A 130 RCYH1SA : A 130 RCY C1S : A 30 CYS SG :(H bumps) USER MOD NoAdj-H: A 130 RCYH1LA : A 130 RCY C1L : A 31 LYS NZ :(H bumps) USER MOD NoAdj-H: A 138 RCYH1YA : A 138 RCY C1Y : A 81 LEU CB :(H bumps) USER MOD NoAdj-H: A 138 RCYH1SA : A 138 RCY C1S : A 38 CYS SG :(H bumps) USER MOD NoAdj-H: A 138 RCY H1Y : A 138 RCY C1Y : A 81 LEU CB :(H bumps) USER MOD NoAdj-H: A 138 RCY H1S : A 138 RCY C1S : A 37 GLN O :(H bumps) USER MOD NoAdj-H: A 138 RCY H1C : A 138 RCY C1C : A 34 GLN NE2 :(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 173 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 173 RCYH1YA : A 173 RCY C1Y : A 168 RCY C1P :(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 RCYH1LA : A 173 RCY C1L : A 70 TRP CA :(H bumps) USER MOD NoAdj-H: A 173 RCY H1Y : A 173 RCY C1Y : A 168 RCY C1P :(H bumps) USER MOD NoAdj-H: A 173 RCY H1L : A 173 RCY C1L : A 69 PRO O :(H bumps) USER MOD NoAdj-H: A 176 RCYH1YB : A 176 RCY C1Y : A 70 TRP CZ3 :(H bumps) USER MOD NoAdj-H: A 176 RCYH1YA : A 176 RCY C1Y : A 70 TRP CH2 :(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 187 RCY C1M :(H bumps) USER MOD NoAdj-H: A 176 RCYH1CA : A 176 RCY C1C : A 187 RCY C1M :(H bumps) USER MOD NoAdj-H: A 176 RCY H1Y : A 176 RCY C1Y : A 70 TRP CZ3 :(H bumps) USER MOD NoAdj-H: A 176 RCY H1C : A 176 RCY C1C : A 187 RCY C1M :(H bumps) USER MOD NoAdj-H: A 187 RCYH1YB : A 187 RCY C1Y : A 176 RCY C1P :(H bumps) USER MOD NoAdj-H: A 187 RCYH1YA : A 187 RCY C1Y : A 176 RCY C1U :(H bumps) USER MOD NoAdj-H: A 187 RCYH1SA : A 187 RCY C1S : A 87 CYS SG :(H bumps) USER MOD NoAdj-H: A 187 RCYH1MA : A 187 RCY C1M : A 176 RCY C1C :(H bumps) USER MOD NoAdj-H: A 187 RCY H1Y : A 187 RCY C1Y : A 176 RCY C1P :(H bumps) USER MOD NoAdj-H: A 187 RCY H1M : A 187 RCY C1M : A 176 RCY C1C :(H bumps) USER MOD Set 1.1: A 62 THR OG1 : rot -60:sc= 1.23 USER MOD Set 1.2: A 65 THR OG1 : rot 85:sc= 0.496 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= -0.713 X(o=-0.71,f=-0.82) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= -0.509 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.016 USER MOD Single : A 25 LYS NZ :NH3+ -163:sc= -0.107 (180deg=-0.665) USER MOD Single : A 29 LYS NZ :NH3+ 176:sc= -4.6! (180deg=-4.61!) USER MOD Single : A 32 GLN : amide:sc= -4.23! C(o=-4.2!,f=-5.1!) USER MOD Single : A 35 THR OG1 : rot -33:sc= -0.0358! USER MOD Single : A 37 GLN :FLIP amide:sc= -0.0836 F(o=-0.82,f=-0.084) USER MOD Single : A 39 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0352) USER MOD Single : A 40 SER OG : rot 20:sc= 0.313! USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ -160:sc= -0.101 (180deg=-0.684) USER MOD Single : A 48 GLN : amide:sc= -3.65! C(o=-3.7!,f=-5.2!) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN :FLIP amide:sc= -0.676 F(o=-3.5!,f=-0.68) USER MOD Single : A 75 HIS :FLIP no HD1:sc= -2.9! C(o=-3.4!,f=-2.9!) USER MOD Single : A 79 HIS : no HD1:sc= -3.67! C(o=-3.7!,f=-8.5!) USER MOD Single : A 83 GLN : amide:sc= -0.355 K(o=-0.36,f=-0.98) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 60.955 10.046 22.166 1.00 1.00 N ATOM 2 CA MET A 1 61.542 8.678 22.222 1.00 1.00 C ATOM 3 C MET A 1 61.752 8.272 23.682 1.00 1.00 C ATOM 4 O MET A 1 62.686 8.704 24.329 1.00 1.00 O ATOM 5 CB MET A 1 62.888 8.670 21.491 1.00 1.00 C ATOM 6 CG MET A 1 63.452 7.248 21.472 1.00 1.00 C ATOM 7 SD MET A 1 64.283 6.908 23.044 1.00 1.00 S ATOM 8 CE MET A 1 65.927 7.491 22.562 1.00 1.00 C ATOM 0 H1 MET A 1 60.812 10.322 21.174 1.00 1.00 H new ATOM 0 H2 MET A 1 60.041 10.052 22.662 1.00 1.00 H new ATOM 0 H3 MET A 1 61.602 10.720 22.623 1.00 1.00 H new ATOM 0 HA MET A 1 60.864 7.972 21.743 1.00 1.00 H new ATOM 0 HB2 MET A 1 62.762 9.036 20.472 1.00 1.00 H new ATOM 0 HB3 MET A 1 63.587 9.343 21.987 1.00 1.00 H new ATOM 0 HG2 MET A 1 62.649 6.529 21.310 1.00 1.00 H new ATOM 0 HG3 MET A 1 64.153 7.134 20.645 1.00 1.00 H new ATOM 0 HE1 MET A 1 66.615 7.372 23.399 1.00 1.00 H new ATOM 0 HE2 MET A 1 66.285 6.909 21.712 1.00 1.00 H new ATOM 0 HE3 MET A 1 65.873 8.544 22.284 1.00 1.00 H new ATOM 17 N ASN A 2 60.890 7.445 24.207 1.00 1.00 N ATOM 18 CA ASN A 2 61.041 7.011 25.624 1.00 1.00 C ATOM 19 C ASN A 2 60.230 5.735 25.855 1.00 1.00 C ATOM 20 O ASN A 2 59.719 5.498 26.931 1.00 1.00 O ATOM 21 CB ASN A 2 60.532 8.115 26.554 1.00 1.00 C ATOM 22 CG ASN A 2 60.822 7.733 28.007 1.00 1.00 C ATOM 23 OD1 ASN A 2 61.952 7.459 28.361 1.00 1.00 O ATOM 24 ND2 ASN A 2 59.843 7.702 28.869 1.00 1.00 N ATOM 0 H ASN A 2 60.088 7.051 23.716 1.00 1.00 H new ATOM 0 HA ASN A 2 62.093 6.816 25.834 1.00 1.00 H new ATOM 0 HB2 ASN A 2 61.016 9.061 26.312 1.00 1.00 H new ATOM 0 HB3 ASN A 2 59.461 8.260 26.412 1.00 1.00 H new ATOM 0 HD21 ASN A 2 60.026 7.448 29.840 1.00 1.00 H new ATOM 0 HD22 ASN A 2 58.895 7.932 28.572 1.00 1.00 H new ATOM 31 N LEU A 3 60.111 4.908 24.851 1.00 1.00 N ATOM 32 CA LEU A 3 59.336 3.646 25.014 1.00 1.00 C ATOM 33 C LEU A 3 59.718 2.667 23.902 1.00 1.00 C ATOM 34 O LEU A 3 59.120 1.620 23.752 1.00 1.00 O ATOM 35 CB LEU A 3 57.834 3.952 24.941 1.00 1.00 C ATOM 36 CG LEU A 3 57.505 4.620 23.605 1.00 1.00 C ATOM 37 CD1 LEU A 3 56.933 3.580 22.640 1.00 1.00 C ATOM 38 CD2 LEU A 3 56.472 5.727 23.831 1.00 1.00 C ATOM 0 H LEU A 3 60.517 5.052 23.926 1.00 1.00 H new ATOM 0 HA LEU A 3 59.565 3.201 25.982 1.00 1.00 H new ATOM 0 HB2 LEU A 3 57.260 3.031 25.049 1.00 1.00 H new ATOM 0 HB3 LEU A 3 57.546 4.605 25.765 1.00 1.00 H new ATOM 0 HG LEU A 3 58.413 5.048 23.180 1.00 1.00 H new ATOM 0 HD11 LEU A 3 56.699 4.057 21.688 1.00 1.00 H new ATOM 0 HD12 LEU A 3 57.667 2.790 22.479 1.00 1.00 H new ATOM 0 HD13 LEU A 3 56.025 3.151 23.064 1.00 1.00 H new ATOM 0 HD21 LEU A 3 56.236 6.204 22.880 1.00 1.00 H new ATOM 0 HD22 LEU A 3 55.565 5.297 24.256 1.00 1.00 H new ATOM 0 HD23 LEU A 3 56.878 6.469 24.518 1.00 1.00 H new ATOM 50 N GLU A 4 60.712 2.996 23.122 1.00 1.00 N ATOM 51 CA GLU A 4 61.130 2.081 22.023 1.00 1.00 C ATOM 52 C GLU A 4 61.656 0.770 22.626 1.00 1.00 C ATOM 53 O GLU A 4 62.504 0.788 23.496 1.00 1.00 O ATOM 54 CB GLU A 4 62.242 2.743 21.205 1.00 1.00 C ATOM 55 CG GLU A 4 62.455 1.963 19.906 1.00 1.00 C ATOM 56 CD GLU A 4 63.564 2.627 19.088 1.00 1.00 C ATOM 57 OE1 GLU A 4 64.631 2.844 19.639 1.00 1.00 O ATOM 58 OE2 GLU A 4 63.328 2.907 17.924 1.00 1.00 O ATOM 0 H GLU A 4 61.252 3.858 23.199 1.00 1.00 H new ATOM 0 HA GLU A 4 60.277 1.872 21.378 1.00 1.00 H new ATOM 0 HB2 GLU A 4 61.977 3.777 20.982 1.00 1.00 H new ATOM 0 HB3 GLU A 4 63.166 2.768 21.782 1.00 1.00 H new ATOM 0 HG2 GLU A 4 62.722 0.930 20.129 1.00 1.00 H new ATOM 0 HG3 GLU A 4 61.530 1.936 19.330 1.00 1.00 H new ATOM 65 N PRO A 5 61.165 -0.360 22.173 1.00 1.00 N ATOM 66 CA PRO A 5 61.609 -1.687 22.689 1.00 1.00 C ATOM 67 C PRO A 5 63.131 -1.753 22.892 1.00 1.00 C ATOM 68 O PRO A 5 63.879 -1.868 21.942 1.00 1.00 O ATOM 69 CB PRO A 5 61.175 -2.655 21.587 1.00 1.00 C ATOM 70 CG PRO A 5 59.981 -2.015 20.957 1.00 1.00 C ATOM 71 CD PRO A 5 60.141 -0.500 21.125 1.00 1.00 C ATOM 0 HA PRO A 5 61.181 -1.911 23.666 1.00 1.00 H new ATOM 0 HB2 PRO A 5 61.972 -2.806 20.859 1.00 1.00 H new ATOM 0 HB3 PRO A 5 60.927 -3.634 21.997 1.00 1.00 H new ATOM 0 HG2 PRO A 5 59.913 -2.281 19.902 1.00 1.00 H new ATOM 0 HG3 PRO A 5 59.063 -2.361 21.432 1.00 1.00 H new ATOM 0 HD2 PRO A 5 60.456 -0.027 20.195 1.00 1.00 H new ATOM 0 HD3 PRO A 5 59.202 -0.030 21.420 1.00 1.00 H new ATOM 79 N PRO A 6 63.588 -1.681 24.119 1.00 1.00 N ATOM 80 CA PRO A 6 65.047 -1.734 24.432 1.00 1.00 C ATOM 81 C PRO A 6 65.749 -2.904 23.732 1.00 1.00 C ATOM 82 O PRO A 6 65.117 -3.828 23.262 1.00 1.00 O ATOM 83 CB PRO A 6 65.087 -1.911 25.953 1.00 1.00 C ATOM 84 CG PRO A 6 63.804 -1.328 26.447 1.00 1.00 C ATOM 85 CD PRO A 6 62.772 -1.539 25.336 1.00 1.00 C ATOM 0 HA PRO A 6 65.569 -0.842 24.086 1.00 1.00 H new ATOM 0 HB2 PRO A 6 65.172 -2.963 26.225 1.00 1.00 H new ATOM 0 HB3 PRO A 6 65.946 -1.399 26.387 1.00 1.00 H new ATOM 0 HG2 PRO A 6 63.486 -1.815 27.369 1.00 1.00 H new ATOM 0 HG3 PRO A 6 63.921 -0.268 26.671 1.00 1.00 H new ATOM 0 HD2 PRO A 6 62.166 -2.427 25.517 1.00 1.00 H new ATOM 0 HD3 PRO A 6 62.087 -0.695 25.261 1.00 1.00 H new ATOM 93 N LYS A 7 67.052 -2.867 23.659 1.00 1.00 N ATOM 94 CA LYS A 7 67.795 -3.973 22.990 1.00 1.00 C ATOM 95 C LYS A 7 67.201 -4.214 21.600 1.00 1.00 C ATOM 96 O LYS A 7 66.241 -3.582 21.206 1.00 1.00 O ATOM 97 CB LYS A 7 67.677 -5.255 23.824 1.00 1.00 C ATOM 98 CG LYS A 7 68.578 -5.154 25.056 1.00 1.00 C ATOM 99 CD LYS A 7 67.808 -4.492 26.200 1.00 1.00 C ATOM 100 CE LYS A 7 66.728 -5.448 26.710 1.00 1.00 C ATOM 101 NZ LYS A 7 66.569 -5.279 28.181 1.00 1.00 N ATOM 0 H LYS A 7 67.634 -2.118 24.034 1.00 1.00 H new ATOM 0 HA LYS A 7 68.846 -3.699 22.898 1.00 1.00 H new ATOM 0 HB2 LYS A 7 66.642 -5.407 24.130 1.00 1.00 H new ATOM 0 HB3 LYS A 7 67.962 -6.119 23.223 1.00 1.00 H new ATOM 0 HG2 LYS A 7 68.914 -6.147 25.356 1.00 1.00 H new ATOM 0 HG3 LYS A 7 69.470 -4.574 24.820 1.00 1.00 H new ATOM 0 HD2 LYS A 7 68.490 -4.233 27.009 1.00 1.00 H new ATOM 0 HD3 LYS A 7 67.353 -3.563 25.856 1.00 1.00 H new ATOM 0 HE2 LYS A 7 65.783 -5.248 26.206 1.00 1.00 H new ATOM 0 HE3 LYS A 7 67.000 -6.478 26.479 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 65.835 -5.929 28.528 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 67.471 -5.491 28.654 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 66.290 -4.299 28.390 1.00 1.00 H new ATOM 115 N ALA A 8 67.765 -5.124 20.852 1.00 1.00 N ATOM 116 CA ALA A 8 67.233 -5.405 19.488 1.00 1.00 C ATOM 117 C ALA A 8 66.081 -6.407 19.585 1.00 1.00 C ATOM 118 O ALA A 8 64.926 -6.035 19.657 1.00 1.00 O ATOM 119 CB ALA A 8 68.347 -5.992 18.618 1.00 1.00 C ATOM 0 H ALA A 8 68.571 -5.685 21.127 1.00 1.00 H new ATOM 0 HA ALA A 8 66.872 -4.479 19.041 1.00 1.00 H new ATOM 0 HB1 ALA A 8 67.959 -6.198 17.620 1.00 1.00 H new ATOM 0 HB2 ALA A 8 69.168 -5.279 18.548 1.00 1.00 H new ATOM 0 HB3 ALA A 8 68.708 -6.918 19.065 1.00 1.00 H new ATOM 125 N GLU A 9 66.384 -7.676 19.586 1.00 1.00 N ATOM 126 CA GLU A 9 65.305 -8.700 19.678 1.00 1.00 C ATOM 127 C GLU A 9 64.280 -8.462 18.568 1.00 1.00 C ATOM 128 O GLU A 9 63.138 -8.134 18.824 1.00 1.00 O ATOM 129 CB GLU A 9 64.617 -8.596 21.040 1.00 1.00 C ATOM 130 CG GLU A 9 65.674 -8.446 22.136 1.00 1.00 C ATOM 131 CD GLU A 9 66.678 -9.596 22.038 1.00 1.00 C ATOM 132 OE1 GLU A 9 67.537 -9.534 21.174 1.00 1.00 O ATOM 133 OE2 GLU A 9 66.571 -10.518 22.829 1.00 1.00 O ATOM 0 H GLU A 9 67.332 -8.048 19.527 1.00 1.00 H new ATOM 0 HA GLU A 9 65.737 -9.694 19.565 1.00 1.00 H new ATOM 0 HB2 GLU A 9 63.940 -7.741 21.053 1.00 1.00 H new ATOM 0 HB3 GLU A 9 64.012 -9.484 21.222 1.00 1.00 H new ATOM 0 HG2 GLU A 9 66.188 -7.491 22.032 1.00 1.00 H new ATOM 0 HG3 GLU A 9 65.199 -8.447 23.117 1.00 1.00 H new ATOM 140 N CYS A 10 64.677 -8.623 17.335 1.00 1.00 N ATOM 141 CA CYS A 10 63.725 -8.406 16.210 1.00 1.00 C ATOM 142 C CYS A 10 62.669 -9.514 16.215 1.00 1.00 C ATOM 143 O CYS A 10 61.839 -9.590 17.099 1.00 1.00 O ATOM 144 CB CYS A 10 64.488 -8.433 14.884 1.00 1.00 C ATOM 145 SG CYS A 10 65.367 -6.867 14.661 1.00 1.00 S ATOM 0 H CYS A 10 65.620 -8.896 17.059 1.00 1.00 H new ATOM 0 HA CYS A 10 63.237 -7.439 16.328 1.00 1.00 H new ATOM 0 HB2 CYS A 10 65.194 -9.263 14.876 1.00 1.00 H new ATOM 0 HB3 CYS A 10 63.796 -8.595 14.057 1.00 1.00 H new ATOM 150 N ARG A 11 62.693 -10.374 15.233 1.00 1.00 N ATOM 151 CA ARG A 11 61.692 -11.476 15.179 1.00 1.00 C ATOM 152 C ARG A 11 60.285 -10.893 15.331 1.00 1.00 C ATOM 153 O ARG A 11 59.492 -11.357 16.126 1.00 1.00 O ATOM 154 CB ARG A 11 61.965 -12.467 16.316 1.00 1.00 C ATOM 155 CG ARG A 11 61.124 -13.728 16.111 1.00 1.00 C ATOM 156 CD ARG A 11 61.738 -14.886 16.900 1.00 1.00 C ATOM 157 NE ARG A 11 62.894 -15.445 16.143 1.00 1.00 N ATOM 158 CZ ARG A 11 62.686 -16.186 15.089 1.00 1.00 C ATOM 159 NH1 ARG A 11 61.467 -16.438 14.698 1.00 1.00 N ATOM 160 NH2 ARG A 11 63.698 -16.675 14.426 1.00 1.00 N ATOM 0 H ARG A 11 63.364 -10.360 14.465 1.00 1.00 H new ATOM 0 HA ARG A 11 61.767 -11.993 14.222 1.00 1.00 H new ATOM 0 HB2 ARG A 11 63.024 -12.724 16.341 1.00 1.00 H new ATOM 0 HB3 ARG A 11 61.725 -12.010 17.276 1.00 1.00 H new ATOM 0 HG2 ARG A 11 60.100 -13.552 16.441 1.00 1.00 H new ATOM 0 HG3 ARG A 11 61.079 -13.980 15.051 1.00 1.00 H new ATOM 0 HD2 ARG A 11 62.065 -14.539 17.880 1.00 1.00 H new ATOM 0 HD3 ARG A 11 60.991 -15.662 17.069 1.00 1.00 H new ATOM 0 HE ARG A 11 63.847 -15.248 16.449 1.00 1.00 H new ATOM 0 HH11 ARG A 11 60.676 -16.056 15.216 1.00 1.00 H new ATOM 0 HH12 ARG A 11 61.305 -17.017 13.874 1.00 1.00 H new ATOM 0 HH21 ARG A 11 64.651 -16.478 14.732 1.00 1.00 H new ATOM 0 HH22 ARG A 11 63.536 -17.254 13.602 1.00 1.00 H new ATOM 174 N SER A 12 59.969 -9.877 14.572 1.00 1.00 N ATOM 175 CA SER A 12 58.613 -9.260 14.668 1.00 1.00 C ATOM 176 C SER A 12 57.732 -9.787 13.533 1.00 1.00 C ATOM 177 O SER A 12 56.520 -9.750 13.607 1.00 1.00 O ATOM 178 CB SER A 12 58.735 -7.741 14.550 1.00 1.00 C ATOM 179 OG SER A 12 58.867 -7.387 13.180 1.00 1.00 O ATOM 0 H SER A 12 60.592 -9.447 13.889 1.00 1.00 H new ATOM 0 HA SER A 12 58.165 -9.517 15.628 1.00 1.00 H new ATOM 0 HB2 SER A 12 57.856 -7.259 14.979 1.00 1.00 H new ATOM 0 HB3 SER A 12 59.599 -7.389 15.114 1.00 1.00 H new ATOM 0 HG SER A 12 58.944 -6.413 13.100 1.00 1.00 H new ATOM 185 N ALA A 13 58.333 -10.275 12.482 1.00 1.00 N ATOM 186 CA ALA A 13 57.532 -10.803 11.341 1.00 1.00 C ATOM 187 C ALA A 13 56.647 -9.687 10.780 1.00 1.00 C ATOM 188 O ALA A 13 55.672 -9.291 11.386 1.00 1.00 O ATOM 189 CB ALA A 13 56.654 -11.960 11.824 1.00 1.00 C ATOM 0 H ALA A 13 59.345 -10.331 12.364 1.00 1.00 H new ATOM 0 HA ALA A 13 58.203 -11.161 10.560 1.00 1.00 H new ATOM 0 HB1 ALA A 13 56.069 -12.346 10.989 1.00 1.00 H new ATOM 0 HB2 ALA A 13 57.285 -12.754 12.222 1.00 1.00 H new ATOM 0 HB3 ALA A 13 55.982 -11.605 12.605 1.00 1.00 H new ATOM 195 N THR A 14 56.982 -9.176 9.625 1.00 1.00 N ATOM 196 CA THR A 14 56.163 -8.085 9.022 1.00 1.00 C ATOM 197 C THR A 14 56.119 -8.260 7.502 1.00 1.00 C ATOM 198 O THR A 14 56.658 -9.205 6.961 1.00 1.00 O ATOM 199 CB THR A 14 56.791 -6.730 9.360 1.00 1.00 C ATOM 200 OG1 THR A 14 57.841 -6.455 8.444 1.00 1.00 O ATOM 201 CG2 THR A 14 57.349 -6.765 10.784 1.00 1.00 C ATOM 0 H THR A 14 57.788 -9.468 9.073 1.00 1.00 H new ATOM 0 HA THR A 14 55.150 -8.128 9.423 1.00 1.00 H new ATOM 0 HB THR A 14 56.033 -5.950 9.289 1.00 1.00 H new ATOM 0 HG1 THR A 14 58.243 -5.587 8.658 1.00 1.00 H new ATOM 0 HG21 THR A 14 57.796 -5.800 11.024 1.00 1.00 H new ATOM 0 HG22 THR A 14 56.542 -6.976 11.486 1.00 1.00 H new ATOM 0 HG23 THR A 14 58.107 -7.544 10.859 1.00 1.00 H new ATOM 209 N ARG A 15 55.479 -7.358 6.809 1.00 1.00 N ATOM 210 CA ARG A 15 55.398 -7.472 5.325 1.00 1.00 C ATOM 211 C ARG A 15 56.611 -6.787 4.692 1.00 1.00 C ATOM 212 O ARG A 15 57.151 -5.840 5.228 1.00 1.00 O ATOM 213 CB ARG A 15 54.114 -6.798 4.833 1.00 1.00 C ATOM 214 CG ARG A 15 52.964 -7.136 5.783 1.00 1.00 C ATOM 215 CD ARG A 15 51.634 -6.752 5.133 1.00 1.00 C ATOM 216 NE ARG A 15 51.596 -5.279 4.912 1.00 1.00 N ATOM 217 CZ ARG A 15 51.414 -4.472 5.922 1.00 1.00 C ATOM 218 NH1 ARG A 15 51.266 -4.956 7.125 1.00 1.00 N ATOM 219 NH2 ARG A 15 51.381 -3.182 5.729 1.00 1.00 N ATOM 0 H ARG A 15 55.008 -6.546 7.207 1.00 1.00 H new ATOM 0 HA ARG A 15 55.389 -8.524 5.041 1.00 1.00 H new ATOM 0 HB2 ARG A 15 54.253 -5.718 4.784 1.00 1.00 H new ATOM 0 HB3 ARG A 15 53.877 -7.135 3.824 1.00 1.00 H new ATOM 0 HG2 ARG A 15 52.972 -8.201 6.017 1.00 1.00 H new ATOM 0 HG3 ARG A 15 53.088 -6.602 6.725 1.00 1.00 H new ATOM 0 HD2 ARG A 15 51.516 -7.276 4.184 1.00 1.00 H new ATOM 0 HD3 ARG A 15 50.804 -7.056 5.771 1.00 1.00 H new ATOM 0 HE ARG A 15 51.712 -4.901 3.972 1.00 1.00 H new ATOM 0 HH11 ARG A 15 51.293 -5.964 7.276 1.00 1.00 H new ATOM 0 HH12 ARG A 15 51.124 -4.326 7.914 1.00 1.00 H new ATOM 0 HH21 ARG A 15 51.497 -2.804 4.789 1.00 1.00 H new ATOM 0 HH22 ARG A 15 51.239 -2.552 6.518 1.00 1.00 H new ATOM 233 N VAL A 16 57.045 -7.259 3.553 1.00 1.00 N ATOM 234 CA VAL A 16 58.224 -6.635 2.885 1.00 1.00 C ATOM 235 C VAL A 16 57.746 -5.594 1.870 1.00 1.00 C ATOM 236 O VAL A 16 56.628 -5.644 1.396 1.00 1.00 O ATOM 237 CB VAL A 16 59.030 -7.716 2.162 1.00 1.00 C ATOM 238 CG1 VAL A 16 59.391 -8.829 3.147 1.00 1.00 C ATOM 239 CG2 VAL A 16 58.192 -8.298 1.022 1.00 1.00 C ATOM 0 H VAL A 16 56.634 -8.050 3.057 1.00 1.00 H new ATOM 0 HA VAL A 16 58.851 -6.151 3.634 1.00 1.00 H new ATOM 0 HB VAL A 16 59.943 -7.279 1.758 1.00 1.00 H new ATOM 0 HG11 VAL A 16 59.965 -9.599 2.632 1.00 1.00 H new ATOM 0 HG12 VAL A 16 59.987 -8.416 3.961 1.00 1.00 H new ATOM 0 HG13 VAL A 16 58.479 -9.267 3.552 1.00 1.00 H new ATOM 0 HG21 VAL A 16 58.765 -9.068 0.506 1.00 1.00 H new ATOM 0 HG22 VAL A 16 57.279 -8.735 1.428 1.00 1.00 H new ATOM 0 HG23 VAL A 16 57.934 -7.506 0.319 1.00 1.00 H new ATOM 249 N MET A 17 58.586 -4.652 1.533 1.00 1.00 N ATOM 250 CA MET A 17 58.187 -3.606 0.547 1.00 1.00 C ATOM 251 C MET A 17 58.768 -3.952 -0.826 1.00 1.00 C ATOM 252 O MET A 17 59.621 -4.808 -0.951 1.00 1.00 O ATOM 253 CB MET A 17 58.727 -2.246 0.999 1.00 1.00 C ATOM 254 CG MET A 17 60.203 -2.382 1.377 1.00 1.00 C ATOM 255 SD MET A 17 60.338 -3.056 3.051 1.00 1.00 S ATOM 256 CE MET A 17 62.063 -3.590 2.943 1.00 1.00 C ATOM 0 H MET A 17 59.534 -4.562 1.899 1.00 1.00 H new ATOM 0 HA MET A 17 57.100 -3.563 0.483 1.00 1.00 H new ATOM 0 HB2 MET A 17 58.611 -1.513 0.200 1.00 1.00 H new ATOM 0 HB3 MET A 17 58.155 -1.881 1.852 1.00 1.00 H new ATOM 0 HG2 MET A 17 60.712 -3.035 0.668 1.00 1.00 H new ATOM 0 HG3 MET A 17 60.694 -1.410 1.324 1.00 1.00 H new ATOM 0 HE1 MET A 17 62.363 -4.045 3.887 1.00 1.00 H new ATOM 0 HE2 MET A 17 62.169 -4.319 2.139 1.00 1.00 H new ATOM 0 HE3 MET A 17 62.698 -2.729 2.737 1.00 1.00 H new ATOM 266 N GLY A 18 58.313 -3.294 -1.857 1.00 1.00 N ATOM 267 CA GLY A 18 58.841 -3.586 -3.220 1.00 1.00 C ATOM 268 C GLY A 18 58.840 -5.098 -3.458 1.00 1.00 C ATOM 269 O GLY A 18 59.867 -5.745 -3.404 1.00 1.00 O ATOM 0 H GLY A 18 57.599 -2.567 -1.815 1.00 1.00 H new ATOM 0 HA2 GLY A 18 58.229 -3.089 -3.972 1.00 1.00 H new ATOM 0 HA3 GLY A 18 59.852 -3.192 -3.321 1.00 1.00 H new ATOM 273 N GLY A 19 57.696 -5.666 -3.723 1.00 1.00 N ATOM 274 CA GLY A 19 57.631 -7.135 -3.965 1.00 1.00 C ATOM 275 C GLY A 19 58.436 -7.486 -5.219 1.00 1.00 C ATOM 276 O GLY A 19 59.384 -8.244 -5.164 1.00 1.00 O ATOM 0 H GLY A 19 56.803 -5.176 -3.782 1.00 1.00 H new ATOM 0 HA2 GLY A 19 58.027 -7.673 -3.104 1.00 1.00 H new ATOM 0 HA3 GLY A 19 56.594 -7.448 -4.087 1.00 1.00 H new ATOM 280 N PRO A 20 58.055 -6.938 -6.342 1.00 1.00 N ATOM 281 CA PRO A 20 58.743 -7.191 -7.641 1.00 1.00 C ATOM 282 C PRO A 20 60.268 -7.092 -7.526 1.00 1.00 C ATOM 283 O PRO A 20 60.797 -6.181 -6.920 1.00 1.00 O ATOM 284 CB PRO A 20 58.201 -6.091 -8.556 1.00 1.00 C ATOM 285 CG PRO A 20 56.856 -5.753 -8.005 1.00 1.00 C ATOM 286 CD PRO A 20 56.920 -6.013 -6.497 1.00 1.00 C ATOM 0 HA PRO A 20 58.553 -8.199 -8.009 1.00 1.00 H new ATOM 0 HB2 PRO A 20 58.857 -5.220 -8.557 1.00 1.00 H new ATOM 0 HB3 PRO A 20 58.129 -6.436 -9.587 1.00 1.00 H new ATOM 0 HG2 PRO A 20 56.605 -4.712 -8.208 1.00 1.00 H new ATOM 0 HG3 PRO A 20 56.082 -6.364 -8.471 1.00 1.00 H new ATOM 0 HD2 PRO A 20 57.079 -5.090 -5.939 1.00 1.00 H new ATOM 0 HD3 PRO A 20 55.993 -6.453 -6.128 1.00 1.00 H new ATOM 294 N CYS A 21 60.977 -8.023 -8.109 1.00 1.00 N ATOM 295 CA CYS A 21 62.466 -7.989 -8.043 1.00 1.00 C ATOM 296 C CYS A 21 63.042 -8.355 -9.413 1.00 1.00 C ATOM 297 O CYS A 21 63.016 -9.499 -9.823 1.00 1.00 O ATOM 298 CB CYS A 21 62.953 -8.992 -6.992 1.00 1.00 C ATOM 299 SG CYS A 21 63.406 -8.108 -5.479 1.00 1.00 S ATOM 0 H CYS A 21 60.586 -8.808 -8.630 1.00 1.00 H new ATOM 0 HA CYS A 21 62.799 -6.988 -7.766 1.00 1.00 H new ATOM 0 HB2 CYS A 21 62.171 -9.721 -6.780 1.00 1.00 H new ATOM 0 HB3 CYS A 21 63.811 -9.546 -7.373 1.00 1.00 H new ATOM 304 N THR A 22 63.561 -7.391 -10.126 1.00 1.00 N ATOM 305 CA THR A 22 64.138 -7.678 -11.471 1.00 1.00 C ATOM 306 C THR A 22 65.380 -6.803 -11.689 1.00 1.00 C ATOM 307 O THR A 22 65.269 -5.649 -12.052 1.00 1.00 O ATOM 308 CB THR A 22 63.096 -7.355 -12.545 1.00 1.00 C ATOM 309 OG1 THR A 22 61.857 -7.956 -12.196 1.00 1.00 O ATOM 310 CG2 THR A 22 63.567 -7.898 -13.895 1.00 1.00 C ATOM 0 H THR A 22 63.610 -6.415 -9.834 1.00 1.00 H new ATOM 0 HA THR A 22 64.417 -8.730 -11.534 1.00 1.00 H new ATOM 0 HB THR A 22 62.969 -6.275 -12.616 1.00 1.00 H new ATOM 0 HG1 THR A 22 61.188 -7.749 -12.882 1.00 1.00 H new ATOM 0 HG21 THR A 22 62.824 -7.668 -14.659 1.00 1.00 H new ATOM 0 HG22 THR A 22 64.517 -7.436 -14.162 1.00 1.00 H new ATOM 0 HG23 THR A 22 63.695 -8.978 -13.828 1.00 1.00 H new ATOM 318 N PRO A 23 66.555 -7.341 -11.469 1.00 1.00 N ATOM 319 CA PRO A 23 67.827 -6.581 -11.647 1.00 1.00 C ATOM 320 C PRO A 23 67.870 -5.830 -12.982 1.00 1.00 C ATOM 321 O PRO A 23 68.098 -6.411 -14.025 1.00 1.00 O ATOM 322 CB PRO A 23 68.907 -7.666 -11.598 1.00 1.00 C ATOM 323 CG PRO A 23 68.313 -8.767 -10.784 1.00 1.00 C ATOM 324 CD PRO A 23 66.801 -8.723 -11.026 1.00 1.00 C ATOM 0 HA PRO A 23 67.953 -5.811 -10.885 1.00 1.00 H new ATOM 0 HB2 PRO A 23 69.165 -8.011 -12.599 1.00 1.00 H new ATOM 0 HB3 PRO A 23 69.824 -7.290 -11.144 1.00 1.00 H new ATOM 0 HG2 PRO A 23 68.725 -9.732 -11.079 1.00 1.00 H new ATOM 0 HG3 PRO A 23 68.540 -8.633 -9.726 1.00 1.00 H new ATOM 0 HD2 PRO A 23 66.496 -9.446 -11.783 1.00 1.00 H new ATOM 0 HD3 PRO A 23 66.244 -8.957 -10.119 1.00 1.00 H new ATOM 332 N ARG A 24 67.650 -4.543 -12.957 1.00 1.00 N ATOM 333 CA ARG A 24 67.675 -3.756 -14.223 1.00 1.00 C ATOM 334 C ARG A 24 68.028 -2.299 -13.912 1.00 1.00 C ATOM 335 O ARG A 24 67.986 -1.869 -12.776 1.00 1.00 O ATOM 336 CB ARG A 24 66.296 -3.820 -14.888 1.00 1.00 C ATOM 337 CG ARG A 24 66.425 -3.456 -16.368 1.00 1.00 C ATOM 338 CD ARG A 24 65.043 -3.490 -17.025 1.00 1.00 C ATOM 339 NE ARG A 24 64.256 -2.303 -16.586 1.00 1.00 N ATOM 340 CZ ARG A 24 64.468 -1.139 -17.138 1.00 1.00 C ATOM 341 NH1 ARG A 24 65.369 -1.015 -18.074 1.00 1.00 N ATOM 342 NH2 ARG A 24 63.779 -0.100 -16.754 1.00 1.00 N ATOM 0 H ARG A 24 67.454 -4.003 -12.114 1.00 1.00 H new ATOM 0 HA ARG A 24 68.423 -4.173 -14.897 1.00 1.00 H new ATOM 0 HB2 ARG A 24 65.877 -4.821 -14.784 1.00 1.00 H new ATOM 0 HB3 ARG A 24 65.609 -3.134 -14.392 1.00 1.00 H new ATOM 0 HG2 ARG A 24 66.865 -2.464 -16.472 1.00 1.00 H new ATOM 0 HG3 ARG A 24 67.094 -4.156 -16.868 1.00 1.00 H new ATOM 0 HD2 ARG A 24 65.144 -3.492 -18.110 1.00 1.00 H new ATOM 0 HD3 ARG A 24 64.521 -4.407 -16.752 1.00 1.00 H new ATOM 0 HE ARG A 24 63.552 -2.400 -15.854 1.00 1.00 H new ATOM 0 HH11 ARG A 24 65.908 -1.828 -18.374 1.00 1.00 H new ATOM 0 HH12 ARG A 24 65.535 -0.106 -18.505 1.00 1.00 H new ATOM 0 HH21 ARG A 24 63.075 -0.197 -16.023 1.00 1.00 H new ATOM 0 HH22 ARG A 24 63.945 0.809 -17.185 1.00 1.00 H new ATOM 356 N LYS A 25 68.376 -1.537 -14.914 1.00 1.00 N ATOM 357 CA LYS A 25 68.734 -0.106 -14.686 1.00 1.00 C ATOM 358 C LYS A 25 68.171 0.742 -15.828 1.00 1.00 C ATOM 359 O LYS A 25 67.512 0.242 -16.717 1.00 1.00 O ATOM 360 CB LYS A 25 70.257 0.036 -14.649 1.00 1.00 C ATOM 361 CG LYS A 25 70.837 -0.326 -16.018 1.00 1.00 C ATOM 362 CD LYS A 25 72.335 -0.606 -15.880 1.00 1.00 C ATOM 363 CE LYS A 25 72.932 -0.885 -17.260 1.00 1.00 C ATOM 364 NZ LYS A 25 72.167 -1.980 -17.921 1.00 1.00 N ATOM 0 H LYS A 25 68.428 -1.845 -15.885 1.00 1.00 H new ATOM 0 HA LYS A 25 68.314 0.231 -13.738 1.00 1.00 H new ATOM 0 HB2 LYS A 25 70.531 1.057 -14.385 1.00 1.00 H new ATOM 0 HB3 LYS A 25 70.675 -0.615 -13.881 1.00 1.00 H new ATOM 0 HG2 LYS A 25 70.328 -1.202 -16.420 1.00 1.00 H new ATOM 0 HG3 LYS A 25 70.672 0.490 -16.722 1.00 1.00 H new ATOM 0 HD2 LYS A 25 72.834 0.248 -15.422 1.00 1.00 H new ATOM 0 HD3 LYS A 25 72.497 -1.460 -15.223 1.00 1.00 H new ATOM 0 HE2 LYS A 25 72.898 0.017 -17.871 1.00 1.00 H new ATOM 0 HE3 LYS A 25 73.981 -1.166 -17.164 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 72.725 -2.366 -18.709 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 71.974 -2.734 -17.231 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 71.268 -1.605 -18.284 1.00 1.00 H new ATOM 378 N GLY A 26 68.428 2.022 -15.814 1.00 1.00 N ATOM 379 CA GLY A 26 67.906 2.893 -16.905 1.00 1.00 C ATOM 380 C GLY A 26 68.433 4.320 -16.726 1.00 1.00 C ATOM 381 O GLY A 26 69.409 4.705 -17.339 1.00 1.00 O ATOM 0 H GLY A 26 68.974 2.500 -15.098 1.00 1.00 H new ATOM 0 HA2 GLY A 26 68.213 2.501 -17.874 1.00 1.00 H new ATOM 0 HA3 GLY A 26 66.816 2.894 -16.892 1.00 1.00 H new ATOM 385 N PRO A 27 67.795 5.101 -15.892 1.00 1.00 N ATOM 386 CA PRO A 27 68.213 6.509 -15.637 1.00 1.00 C ATOM 387 C PRO A 27 69.738 6.639 -15.474 1.00 1.00 C ATOM 388 O PRO A 27 70.320 6.036 -14.595 1.00 1.00 O ATOM 389 CB PRO A 27 67.509 6.853 -14.322 1.00 1.00 C ATOM 390 CG PRO A 27 66.288 5.992 -14.294 1.00 1.00 C ATOM 391 CD PRO A 27 66.610 4.730 -15.101 1.00 1.00 C ATOM 0 HA PRO A 27 67.952 7.170 -16.463 1.00 1.00 H new ATOM 0 HB2 PRO A 27 68.153 6.651 -13.466 1.00 1.00 H new ATOM 0 HB3 PRO A 27 67.246 7.910 -14.281 1.00 1.00 H new ATOM 0 HG2 PRO A 27 66.020 5.736 -13.269 1.00 1.00 H new ATOM 0 HG3 PRO A 27 65.436 6.518 -14.724 1.00 1.00 H new ATOM 0 HD2 PRO A 27 66.816 3.882 -14.448 1.00 1.00 H new ATOM 0 HD3 PRO A 27 65.776 4.444 -15.742 1.00 1.00 H new ATOM 399 N PRO A 28 70.383 7.426 -16.304 1.00 1.00 N ATOM 400 CA PRO A 28 71.861 7.630 -16.223 1.00 1.00 C ATOM 401 C PRO A 28 72.320 7.976 -14.801 1.00 1.00 C ATOM 402 O PRO A 28 71.682 8.740 -14.103 1.00 1.00 O ATOM 403 CB PRO A 28 72.124 8.804 -17.171 1.00 1.00 C ATOM 404 CG PRO A 28 70.990 8.784 -18.143 1.00 1.00 C ATOM 405 CD PRO A 28 69.783 8.200 -17.403 1.00 1.00 C ATOM 0 HA PRO A 28 72.408 6.726 -16.491 1.00 1.00 H new ATOM 0 HB2 PRO A 28 72.160 9.748 -16.628 1.00 1.00 H new ATOM 0 HB3 PRO A 28 73.081 8.692 -17.680 1.00 1.00 H new ATOM 0 HG2 PRO A 28 70.773 9.789 -18.504 1.00 1.00 H new ATOM 0 HG3 PRO A 28 71.239 8.179 -19.015 1.00 1.00 H new ATOM 0 HD2 PRO A 28 69.127 8.985 -17.027 1.00 1.00 H new ATOM 0 HD3 PRO A 28 69.182 7.567 -18.056 1.00 1.00 H new ATOM 413 N LYS A 29 73.422 7.425 -14.368 1.00 1.00 N ATOM 414 CA LYS A 29 73.916 7.729 -12.994 1.00 1.00 C ATOM 415 C LYS A 29 74.778 8.994 -13.032 1.00 1.00 C ATOM 416 O LYS A 29 75.332 9.348 -14.053 1.00 1.00 O ATOM 417 CB LYS A 29 74.751 6.556 -12.476 1.00 1.00 C ATOM 418 CG LYS A 29 75.924 6.305 -13.425 1.00 1.00 C ATOM 419 CD LYS A 29 76.618 4.995 -13.045 1.00 1.00 C ATOM 420 CE LYS A 29 77.664 4.644 -14.104 1.00 1.00 C ATOM 421 NZ LYS A 29 78.420 5.872 -14.481 1.00 1.00 N ATOM 0 H LYS A 29 74.000 6.779 -14.905 1.00 1.00 H new ATOM 0 HA LYS A 29 73.066 7.887 -12.330 1.00 1.00 H new ATOM 0 HB2 LYS A 29 75.121 6.774 -11.474 1.00 1.00 H new ATOM 0 HB3 LYS A 29 74.133 5.661 -12.400 1.00 1.00 H new ATOM 0 HG2 LYS A 29 75.568 6.255 -14.454 1.00 1.00 H new ATOM 0 HG3 LYS A 29 76.632 7.132 -13.372 1.00 1.00 H new ATOM 0 HD2 LYS A 29 77.093 5.093 -12.069 1.00 1.00 H new ATOM 0 HD3 LYS A 29 75.884 4.193 -12.964 1.00 1.00 H new ATOM 0 HE2 LYS A 29 78.347 3.887 -13.719 1.00 1.00 H new ATOM 0 HE3 LYS A 29 77.179 4.218 -14.983 1.00 1.00 H new ATOM 0 HZ1 LYS A 29 79.176 5.623 -15.150 1.00 1.00 H new ATOM 0 HZ2 LYS A 29 77.774 6.554 -14.927 1.00 1.00 H new ATOM 0 HZ3 LYS A 29 78.838 6.297 -13.629 1.00 1.00 H new ATOM 435 N CYS A 30 74.891 9.679 -11.927 1.00 1.00 N ATOM 436 CA CYS A 30 75.712 10.923 -11.900 1.00 1.00 C ATOM 437 C CYS A 30 77.197 10.556 -11.857 1.00 1.00 C ATOM 438 O CYS A 30 78.048 11.322 -12.266 1.00 1.00 O ATOM 439 CB CYS A 30 75.353 11.743 -10.659 1.00 1.00 C ATOM 440 SG CYS A 30 75.121 10.632 -9.249 1.00 1.00 S ATOM 0 H CYS A 30 74.450 9.431 -11.041 1.00 1.00 H new ATOM 0 HA CYS A 30 75.510 11.510 -12.796 1.00 1.00 H new ATOM 0 HB2 CYS A 30 76.144 12.462 -10.443 1.00 1.00 H new ATOM 0 HB3 CYS A 30 74.443 12.315 -10.839 1.00 1.00 H new ATOM 445 N LYS A 31 77.516 9.392 -11.363 1.00 1.00 N ATOM 446 CA LYS A 31 78.945 8.978 -11.292 1.00 1.00 C ATOM 447 C LYS A 31 79.538 8.939 -12.703 1.00 1.00 C ATOM 448 O LYS A 31 79.156 9.700 -13.569 1.00 1.00 O ATOM 449 CB LYS A 31 79.035 7.587 -10.657 1.00 1.00 C ATOM 450 CG LYS A 31 80.453 7.346 -10.135 1.00 1.00 C ATOM 451 CD LYS A 31 80.459 7.445 -8.608 1.00 1.00 C ATOM 452 CE LYS A 31 80.287 8.907 -8.191 1.00 1.00 C ATOM 453 NZ LYS A 31 78.845 9.277 -8.260 1.00 1.00 N ATOM 0 H LYS A 31 76.848 8.709 -11.005 1.00 1.00 H new ATOM 0 HA LYS A 31 79.504 9.692 -10.688 1.00 1.00 H new ATOM 0 HB2 LYS A 31 78.318 7.503 -9.840 1.00 1.00 H new ATOM 0 HB3 LYS A 31 78.773 6.825 -11.391 1.00 1.00 H new ATOM 0 HG2 LYS A 31 80.805 6.363 -10.448 1.00 1.00 H new ATOM 0 HG3 LYS A 31 81.138 8.080 -10.560 1.00 1.00 H new ATOM 0 HD2 LYS A 31 79.654 6.840 -8.191 1.00 1.00 H new ATOM 0 HD3 LYS A 31 81.394 7.050 -8.211 1.00 1.00 H new ATOM 0 HE2 LYS A 31 80.663 9.054 -7.179 1.00 1.00 H new ATOM 0 HE3 LYS A 31 80.871 9.554 -8.845 1.00 1.00 H new ATOM 467 N GLN A 32 80.469 8.058 -12.939 1.00 1.00 N ATOM 468 CA GLN A 32 81.087 7.969 -14.292 1.00 1.00 C ATOM 469 C GLN A 32 81.895 6.674 -14.394 1.00 1.00 C ATOM 470 O GLN A 32 83.109 6.682 -14.358 1.00 1.00 O ATOM 471 CB GLN A 32 82.011 9.173 -14.509 1.00 1.00 C ATOM 472 CG GLN A 32 82.296 9.336 -16.003 1.00 1.00 C ATOM 473 CD GLN A 32 83.164 8.173 -16.488 1.00 1.00 C ATOM 474 OE1 GLN A 32 84.257 7.969 -15.997 1.00 1.00 O ATOM 475 NE2 GLN A 32 82.721 7.396 -17.438 1.00 1.00 N ATOM 0 H GLN A 32 80.829 7.395 -12.253 1.00 1.00 H new ATOM 0 HA GLN A 32 80.307 7.971 -15.054 1.00 1.00 H new ATOM 0 HB2 GLN A 32 81.546 10.077 -14.116 1.00 1.00 H new ATOM 0 HB3 GLN A 32 82.944 9.032 -13.963 1.00 1.00 H new ATOM 0 HG2 GLN A 32 81.360 9.363 -16.562 1.00 1.00 H new ATOM 0 HG3 GLN A 32 82.804 10.283 -16.186 1.00 1.00 H new ATOM 0 HE21 GLN A 32 81.804 7.567 -17.850 1.00 1.00 H new ATOM 0 HE22 GLN A 32 83.292 6.618 -17.768 1.00 1.00 H new ATOM 484 N ARG A 33 81.228 5.559 -14.518 1.00 1.00 N ATOM 485 CA ARG A 33 81.952 4.262 -14.618 1.00 1.00 C ATOM 486 C ARG A 33 82.826 4.072 -13.377 1.00 1.00 C ATOM 487 O ARG A 33 83.809 4.759 -13.185 1.00 1.00 O ATOM 488 CB ARG A 33 82.830 4.259 -15.871 1.00 1.00 C ATOM 489 CG ARG A 33 83.213 2.820 -16.224 1.00 1.00 C ATOM 490 CD ARG A 33 84.102 2.819 -17.468 1.00 1.00 C ATOM 491 NE ARG A 33 85.501 3.153 -17.079 1.00 1.00 N ATOM 492 CZ ARG A 33 86.404 3.355 -18.000 1.00 1.00 C ATOM 493 NH1 ARG A 33 86.082 3.263 -19.261 1.00 1.00 N ATOM 494 NH2 ARG A 33 87.629 3.648 -17.659 1.00 1.00 N ATOM 0 H ARG A 33 80.211 5.491 -14.554 1.00 1.00 H new ATOM 0 HA ARG A 33 81.231 3.447 -14.683 1.00 1.00 H new ATOM 0 HB2 ARG A 33 82.296 4.719 -16.703 1.00 1.00 H new ATOM 0 HB3 ARG A 33 83.727 4.854 -15.700 1.00 1.00 H new ATOM 0 HG2 ARG A 33 83.738 2.357 -15.389 1.00 1.00 H new ATOM 0 HG3 ARG A 33 82.316 2.228 -16.405 1.00 1.00 H new ATOM 0 HD2 ARG A 33 84.071 1.842 -17.950 1.00 1.00 H new ATOM 0 HD3 ARG A 33 83.732 3.544 -18.193 1.00 1.00 H new ATOM 0 HE ARG A 33 85.753 3.224 -16.093 1.00 1.00 H new ATOM 0 HH11 ARG A 33 85.125 3.033 -19.527 1.00 1.00 H new ATOM 0 HH12 ARG A 33 86.788 3.421 -19.980 1.00 1.00 H new ATOM 0 HH21 ARG A 33 87.881 3.719 -16.673 1.00 1.00 H new ATOM 0 HH22 ARG A 33 88.335 3.806 -18.378 1.00 1.00 H new ATOM 508 N GLN A 34 82.473 3.144 -12.531 1.00 1.00 N ATOM 509 CA GLN A 34 83.278 2.910 -11.300 1.00 1.00 C ATOM 510 C GLN A 34 84.529 2.101 -11.651 1.00 1.00 C ATOM 511 O GLN A 34 84.447 0.970 -12.088 1.00 1.00 O ATOM 512 CB GLN A 34 82.438 2.136 -10.284 1.00 1.00 C ATOM 513 CG GLN A 34 83.148 2.135 -8.929 1.00 1.00 C ATOM 514 CD GLN A 34 82.421 1.188 -7.972 1.00 1.00 C ATOM 515 OE1 GLN A 34 81.866 0.192 -8.389 1.00 1.00 O ATOM 516 NE2 GLN A 34 82.401 1.460 -6.695 1.00 1.00 N ATOM 0 H GLN A 34 81.661 2.537 -12.640 1.00 1.00 H new ATOM 0 HA GLN A 34 83.576 3.868 -10.873 1.00 1.00 H new ATOM 0 HB2 GLN A 34 81.452 2.591 -10.189 1.00 1.00 H new ATOM 0 HB3 GLN A 34 82.285 1.113 -10.627 1.00 1.00 H new ATOM 0 HG2 GLN A 34 84.185 1.821 -9.050 1.00 1.00 H new ATOM 0 HG3 GLN A 34 83.166 3.143 -8.515 1.00 1.00 H new ATOM 525 N THR A 35 85.687 2.672 -11.463 1.00 1.00 N ATOM 526 CA THR A 35 86.943 1.936 -11.784 1.00 1.00 C ATOM 527 C THR A 35 88.123 2.611 -11.082 1.00 1.00 C ATOM 528 O THR A 35 89.109 2.959 -11.702 1.00 1.00 O ATOM 529 CB THR A 35 87.173 1.956 -13.298 1.00 1.00 C ATOM 530 OG1 THR A 35 85.955 1.656 -13.964 1.00 1.00 O ATOM 531 CG2 THR A 35 88.230 0.915 -13.670 1.00 1.00 C ATOM 0 H THR A 35 85.818 3.617 -11.101 1.00 1.00 H new ATOM 0 HA THR A 35 86.857 0.905 -11.442 1.00 1.00 H new ATOM 0 HB THR A 35 87.519 2.945 -13.600 1.00 1.00 H new ATOM 0 HG1 THR A 35 85.430 1.033 -13.420 1.00 1.00 H new ATOM 0 HG21 THR A 35 88.392 0.931 -14.748 1.00 1.00 H new ATOM 0 HG22 THR A 35 89.164 1.147 -13.159 1.00 1.00 H new ATOM 0 HG23 THR A 35 87.887 -0.075 -13.369 1.00 1.00 H new ATOM 539 N ARG A 36 88.033 2.799 -9.793 1.00 1.00 N ATOM 540 CA ARG A 36 89.152 3.452 -9.054 1.00 1.00 C ATOM 541 C ARG A 36 89.220 2.893 -7.631 1.00 1.00 C ATOM 542 O ARG A 36 90.077 3.262 -6.853 1.00 1.00 O ATOM 543 CB ARG A 36 88.914 4.963 -8.998 1.00 1.00 C ATOM 544 CG ARG A 36 89.148 5.569 -10.383 1.00 1.00 C ATOM 545 CD ARG A 36 89.136 7.096 -10.281 1.00 1.00 C ATOM 546 NE ARG A 36 89.612 7.683 -11.565 1.00 1.00 N ATOM 547 CZ ARG A 36 88.784 7.828 -12.563 1.00 1.00 C ATOM 548 NH1 ARG A 36 87.538 7.459 -12.437 1.00 1.00 N ATOM 549 NH2 ARG A 36 89.201 8.342 -13.688 1.00 1.00 N ATOM 0 H ARG A 36 87.234 2.529 -9.220 1.00 1.00 H new ATOM 0 HA ARG A 36 90.092 3.251 -9.568 1.00 1.00 H new ATOM 0 HB2 ARG A 36 87.896 5.169 -8.666 1.00 1.00 H new ATOM 0 HB3 ARG A 36 89.585 5.421 -8.271 1.00 1.00 H new ATOM 0 HG2 ARG A 36 90.103 5.228 -10.784 1.00 1.00 H new ATOM 0 HG3 ARG A 36 88.374 5.234 -11.074 1.00 1.00 H new ATOM 0 HD2 ARG A 36 88.129 7.448 -10.059 1.00 1.00 H new ATOM 0 HD3 ARG A 36 89.776 7.421 -9.461 1.00 1.00 H new ATOM 0 HE ARG A 36 90.585 7.972 -11.664 1.00 1.00 H new ATOM 0 HH11 ARG A 36 87.211 7.057 -11.558 1.00 1.00 H new ATOM 0 HH12 ARG A 36 86.891 7.573 -13.217 1.00 1.00 H new ATOM 0 HH21 ARG A 36 90.174 8.630 -13.787 1.00 1.00 H new ATOM 0 HH22 ARG A 36 88.554 8.455 -14.468 1.00 1.00 H new ATOM 563 N GLN A 37 88.325 2.005 -7.287 1.00 1.00 N ATOM 564 CA GLN A 37 88.333 1.417 -5.915 1.00 1.00 C ATOM 565 C GLN A 37 88.097 2.520 -4.878 1.00 1.00 C ATOM 566 O GLN A 37 87.071 2.558 -4.229 1.00 1.00 O ATOM 567 CB GLN A 37 89.683 0.742 -5.650 1.00 1.00 C ATOM 568 CG GLN A 37 90.112 -0.047 -6.888 1.00 1.00 C ATOM 569 CD GLN A 37 91.215 -1.037 -6.507 1.00 1.00 C ATOM 570 OE1 GLN A 37 91.098 -1.734 -5.410 1.00 1.00 O flip ATOM 571 NE2 GLN A 37 92.192 -1.177 -7.215 1.00 1.00 N flip ATOM 0 H GLN A 37 87.586 1.660 -7.900 1.00 1.00 H new ATOM 0 HA GLN A 37 87.538 0.675 -5.839 1.00 1.00 H new ATOM 0 HB2 GLN A 37 90.435 1.492 -5.406 1.00 1.00 H new ATOM 0 HB3 GLN A 37 89.606 0.076 -4.790 1.00 1.00 H new ATOM 0 HG2 GLN A 37 89.258 -0.581 -7.306 1.00 1.00 H new ATOM 0 HG3 GLN A 37 90.471 0.634 -7.660 1.00 1.00 H new ATOM 0 HE21 GLN A 37 92.283 -0.632 -8.072 1.00 1.00 H new ATOM 0 HE22 GLN A 37 92.922 -1.840 -6.952 1.00 1.00 H new ATOM 580 N CYS A 38 89.041 3.412 -4.719 1.00 1.00 N ATOM 581 CA CYS A 38 88.886 4.518 -3.728 1.00 1.00 C ATOM 582 C CYS A 38 88.163 4.000 -2.482 1.00 1.00 C ATOM 583 O CYS A 38 87.444 4.725 -1.824 1.00 1.00 O ATOM 584 CB CYS A 38 88.078 5.658 -4.353 1.00 1.00 C ATOM 585 SG CYS A 38 86.535 5.002 -5.035 1.00 1.00 S ATOM 0 H CYS A 38 89.919 3.421 -5.238 1.00 1.00 H new ATOM 0 HA CYS A 38 89.872 4.886 -3.444 1.00 1.00 H new ATOM 0 HB2 CYS A 38 87.862 6.419 -3.603 1.00 1.00 H new ATOM 0 HB3 CYS A 38 88.659 6.141 -5.139 1.00 1.00 H new ATOM 590 N LYS A 39 88.352 2.749 -2.153 1.00 1.00 N ATOM 591 CA LYS A 39 87.681 2.175 -0.949 1.00 1.00 C ATOM 592 C LYS A 39 88.709 2.014 0.174 1.00 1.00 C ATOM 593 O LYS A 39 88.806 2.837 1.062 1.00 1.00 O ATOM 594 CB LYS A 39 87.091 0.807 -1.302 1.00 1.00 C ATOM 595 CG LYS A 39 86.276 0.279 -0.119 1.00 1.00 C ATOM 596 CD LYS A 39 85.494 -0.963 -0.551 1.00 1.00 C ATOM 597 CE LYS A 39 86.385 -2.199 -0.417 1.00 1.00 C ATOM 598 NZ LYS A 39 86.422 -2.632 1.008 1.00 1.00 N ATOM 0 H LYS A 39 88.944 2.098 -2.668 1.00 1.00 H new ATOM 0 HA LYS A 39 86.883 2.841 -0.620 1.00 1.00 H new ATOM 0 HB2 LYS A 39 86.457 0.890 -2.185 1.00 1.00 H new ATOM 0 HB3 LYS A 39 87.890 0.107 -1.547 1.00 1.00 H new ATOM 0 HG2 LYS A 39 86.938 0.034 0.712 1.00 1.00 H new ATOM 0 HG3 LYS A 39 85.590 1.048 0.236 1.00 1.00 H new ATOM 0 HD2 LYS A 39 84.602 -1.076 0.065 1.00 1.00 H new ATOM 0 HD3 LYS A 39 85.158 -0.854 -1.582 1.00 1.00 H new ATOM 0 HE2 LYS A 39 86.003 -3.005 -1.043 1.00 1.00 H new ATOM 0 HE3 LYS A 39 87.393 -1.974 -0.766 1.00 1.00 H new ATOM 0 HZ1 LYS A 39 86.853 -3.576 1.073 1.00 1.00 H new ATOM 0 HZ2 LYS A 39 86.985 -1.956 1.562 1.00 1.00 H new ATOM 0 HZ3 LYS A 39 85.454 -2.667 1.385 1.00 1.00 H new ATOM 612 N SER A 40 89.481 0.962 0.138 1.00 1.00 N ATOM 613 CA SER A 40 90.507 0.749 1.199 1.00 1.00 C ATOM 614 C SER A 40 89.885 0.984 2.577 1.00 1.00 C ATOM 615 O SER A 40 88.768 0.585 2.842 1.00 1.00 O ATOM 616 CB SER A 40 91.664 1.727 0.991 1.00 1.00 C ATOM 617 OG SER A 40 92.664 1.488 1.972 1.00 1.00 O ATOM 0 H SER A 40 89.446 0.240 -0.581 1.00 1.00 H new ATOM 0 HA SER A 40 90.877 -0.275 1.141 1.00 1.00 H new ATOM 0 HB2 SER A 40 92.082 1.606 -0.008 1.00 1.00 H new ATOM 0 HB3 SER A 40 91.305 2.754 1.064 1.00 1.00 H new ATOM 0 HG SER A 40 92.552 0.587 2.341 1.00 1.00 H new ATOM 623 N LYS A 41 90.602 1.628 3.459 1.00 1.00 N ATOM 624 CA LYS A 41 90.059 1.889 4.823 1.00 1.00 C ATOM 625 C LYS A 41 90.606 3.225 5.342 1.00 1.00 C ATOM 626 O LYS A 41 91.669 3.274 5.930 1.00 1.00 O ATOM 627 CB LYS A 41 90.498 0.765 5.768 1.00 1.00 C ATOM 628 CG LYS A 41 91.995 0.500 5.595 1.00 1.00 C ATOM 629 CD LYS A 41 92.199 -0.862 4.929 1.00 1.00 C ATOM 630 CE LYS A 41 93.687 -1.072 4.642 1.00 1.00 C ATOM 631 NZ LYS A 41 93.949 -2.521 4.413 1.00 1.00 N ATOM 0 H LYS A 41 91.543 1.985 3.293 1.00 1.00 H new ATOM 0 HA LYS A 41 88.971 1.930 4.780 1.00 1.00 H new ATOM 0 HB2 LYS A 41 90.285 1.041 6.801 1.00 1.00 H new ATOM 0 HB3 LYS A 41 89.932 -0.142 5.557 1.00 1.00 H new ATOM 0 HG2 LYS A 41 92.446 1.285 4.988 1.00 1.00 H new ATOM 0 HG3 LYS A 41 92.493 0.521 6.564 1.00 1.00 H new ATOM 0 HD2 LYS A 41 91.827 -1.655 5.578 1.00 1.00 H new ATOM 0 HD3 LYS A 41 91.628 -0.915 4.002 1.00 1.00 H new ATOM 0 HE2 LYS A 41 93.984 -0.495 3.766 1.00 1.00 H new ATOM 0 HE3 LYS A 41 94.284 -0.711 5.479 1.00 1.00 H new ATOM 0 HZ1 LYS A 41 94.960 -2.664 4.218 1.00 1.00 H new ATOM 0 HZ2 LYS A 41 93.680 -3.061 5.260 1.00 1.00 H new ATOM 0 HZ3 LYS A 41 93.390 -2.851 3.601 1.00 1.00 H new ATOM 645 N PRO A 42 89.894 4.304 5.127 1.00 1.00 N ATOM 646 CA PRO A 42 90.333 5.652 5.585 1.00 1.00 C ATOM 647 C PRO A 42 90.086 5.861 7.085 1.00 1.00 C ATOM 648 O PRO A 42 89.293 5.168 7.691 1.00 1.00 O ATOM 649 CB PRO A 42 89.476 6.609 4.752 1.00 1.00 C ATOM 650 CG PRO A 42 88.231 5.846 4.436 1.00 1.00 C ATOM 651 CD PRO A 42 88.601 4.359 4.426 1.00 1.00 C ATOM 0 HA PRO A 42 91.404 5.803 5.452 1.00 1.00 H new ATOM 0 HB2 PRO A 42 89.250 7.519 5.307 1.00 1.00 H new ATOM 0 HB3 PRO A 42 89.994 6.911 3.842 1.00 1.00 H new ATOM 0 HG2 PRO A 42 87.459 6.045 5.179 1.00 1.00 H new ATOM 0 HG3 PRO A 42 87.829 6.149 3.469 1.00 1.00 H new ATOM 0 HD2 PRO A 42 87.847 3.758 4.934 1.00 1.00 H new ATOM 0 HD3 PRO A 42 88.683 3.976 3.409 1.00 1.00 H new ATOM 659 N PRO A 43 90.765 6.809 7.676 1.00 1.00 N ATOM 660 CA PRO A 43 90.622 7.116 9.130 1.00 1.00 C ATOM 661 C PRO A 43 89.259 7.735 9.458 1.00 1.00 C ATOM 662 O PRO A 43 88.547 8.189 8.586 1.00 1.00 O ATOM 663 CB PRO A 43 91.753 8.114 9.407 1.00 1.00 C ATOM 664 CG PRO A 43 92.048 8.748 8.089 1.00 1.00 C ATOM 665 CD PRO A 43 91.741 7.695 7.022 1.00 1.00 C ATOM 0 HA PRO A 43 90.681 6.217 9.743 1.00 1.00 H new ATOM 0 HB2 PRO A 43 91.449 8.859 10.143 1.00 1.00 H new ATOM 0 HB3 PRO A 43 92.633 7.611 9.807 1.00 1.00 H new ATOM 0 HG2 PRO A 43 91.438 9.639 7.942 1.00 1.00 H new ATOM 0 HG3 PRO A 43 93.090 9.063 8.035 1.00 1.00 H new ATOM 0 HD2 PRO A 43 91.329 8.147 6.120 1.00 1.00 H new ATOM 0 HD3 PRO A 43 92.638 7.152 6.725 1.00 1.00 H new ATOM 673 N LYS A 44 88.893 7.754 10.711 1.00 1.00 N ATOM 674 CA LYS A 44 87.577 8.341 11.093 1.00 1.00 C ATOM 675 C LYS A 44 86.470 7.691 10.261 1.00 1.00 C ATOM 676 O LYS A 44 86.090 8.189 9.220 1.00 1.00 O ATOM 677 CB LYS A 44 87.594 9.849 10.834 1.00 1.00 C ATOM 678 CG LYS A 44 88.822 10.469 11.503 1.00 1.00 C ATOM 679 CD LYS A 44 88.679 11.992 11.522 1.00 1.00 C ATOM 680 CE LYS A 44 87.590 12.391 12.520 1.00 1.00 C ATOM 681 NZ LYS A 44 87.907 13.729 13.093 1.00 1.00 N ATOM 0 H LYS A 44 89.447 7.389 11.485 1.00 1.00 H new ATOM 0 HA LYS A 44 87.391 8.159 12.151 1.00 1.00 H new ATOM 0 HB2 LYS A 44 87.614 10.044 9.762 1.00 1.00 H new ATOM 0 HB3 LYS A 44 86.685 10.306 11.224 1.00 1.00 H new ATOM 0 HG2 LYS A 44 88.925 10.090 12.520 1.00 1.00 H new ATOM 0 HG3 LYS A 44 89.725 10.185 10.964 1.00 1.00 H new ATOM 0 HD2 LYS A 44 89.627 12.453 11.799 1.00 1.00 H new ATOM 0 HD3 LYS A 44 88.426 12.356 10.526 1.00 1.00 H new ATOM 0 HE2 LYS A 44 86.619 12.417 12.024 1.00 1.00 H new ATOM 0 HE3 LYS A 44 87.522 11.650 13.316 1.00 1.00 H new ATOM 0 HZ1 LYS A 44 87.167 14.000 13.771 1.00 1.00 H new ATOM 0 HZ2 LYS A 44 88.825 13.689 13.580 1.00 1.00 H new ATOM 0 HZ3 LYS A 44 87.951 14.433 12.328 1.00 1.00 H new ATOM 695 N LYS A 45 85.952 6.580 10.713 1.00 1.00 N ATOM 696 CA LYS A 45 84.868 5.888 9.955 1.00 1.00 C ATOM 697 C LYS A 45 83.748 5.495 10.920 1.00 1.00 C ATOM 698 O LYS A 45 82.739 4.945 10.524 1.00 1.00 O ATOM 699 CB LYS A 45 85.434 4.631 9.289 1.00 1.00 C ATOM 700 CG LYS A 45 86.042 3.718 10.355 1.00 1.00 C ATOM 701 CD LYS A 45 86.919 2.659 9.682 1.00 1.00 C ATOM 702 CE LYS A 45 87.438 1.680 10.736 1.00 1.00 C ATOM 703 NZ LYS A 45 88.080 2.440 11.846 1.00 1.00 N ATOM 0 H LYS A 45 86.234 6.120 11.578 1.00 1.00 H new ATOM 0 HA LYS A 45 84.473 6.556 9.190 1.00 1.00 H new ATOM 0 HB2 LYS A 45 84.645 4.105 8.751 1.00 1.00 H new ATOM 0 HB3 LYS A 45 86.192 4.905 8.555 1.00 1.00 H new ATOM 0 HG2 LYS A 45 86.636 4.305 11.056 1.00 1.00 H new ATOM 0 HG3 LYS A 45 85.251 3.238 10.931 1.00 1.00 H new ATOM 0 HD2 LYS A 45 86.345 2.124 8.925 1.00 1.00 H new ATOM 0 HD3 LYS A 45 87.755 3.136 9.170 1.00 1.00 H new ATOM 0 HE2 LYS A 45 86.617 1.075 11.122 1.00 1.00 H new ATOM 0 HE3 LYS A 45 88.156 0.993 10.288 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 88.716 1.810 12.376 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 88.627 3.233 11.453 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 87.346 2.808 12.484 1.00 1.00 H new ATOM 717 N GLY A 46 83.916 5.774 12.184 1.00 1.00 N ATOM 718 CA GLY A 46 82.861 5.419 13.175 1.00 1.00 C ATOM 719 C GLY A 46 81.831 6.548 13.250 1.00 1.00 C ATOM 720 O GLY A 46 81.828 7.452 12.439 1.00 1.00 O ATOM 0 H GLY A 46 84.739 6.233 12.573 1.00 1.00 H new ATOM 0 HA2 GLY A 46 82.375 4.487 12.886 1.00 1.00 H new ATOM 0 HA3 GLY A 46 83.308 5.255 14.155 1.00 1.00 H new ATOM 724 N VAL A 47 80.955 6.504 14.218 1.00 1.00 N ATOM 725 CA VAL A 47 79.927 7.576 14.342 1.00 1.00 C ATOM 726 C VAL A 47 80.507 8.752 15.131 1.00 1.00 C ATOM 727 O VAL A 47 79.789 9.614 15.597 1.00 1.00 O ATOM 728 CB VAL A 47 78.702 7.026 15.075 1.00 1.00 C ATOM 729 CG1 VAL A 47 77.985 6.012 14.182 1.00 1.00 C ATOM 730 CG2 VAL A 47 79.148 6.340 16.368 1.00 1.00 C ATOM 0 H VAL A 47 80.907 5.773 14.927 1.00 1.00 H new ATOM 0 HA VAL A 47 79.635 7.914 13.348 1.00 1.00 H new ATOM 0 HB VAL A 47 78.023 7.845 15.312 1.00 1.00 H new ATOM 0 HG11 VAL A 47 77.112 5.620 14.704 1.00 1.00 H new ATOM 0 HG12 VAL A 47 77.668 6.499 13.260 1.00 1.00 H new ATOM 0 HG13 VAL A 47 78.664 5.193 13.944 1.00 1.00 H new ATOM 0 HG21 VAL A 47 78.276 5.948 16.891 1.00 1.00 H new ATOM 0 HG22 VAL A 47 79.827 5.521 16.130 1.00 1.00 H new ATOM 0 HG23 VAL A 47 79.659 7.062 17.005 1.00 1.00 H new ATOM 740 N GLN A 48 81.803 8.794 15.285 1.00 1.00 N ATOM 741 CA GLN A 48 82.427 9.915 16.045 1.00 1.00 C ATOM 742 C GLN A 48 82.199 11.228 15.290 1.00 1.00 C ATOM 743 O GLN A 48 81.934 12.256 15.880 1.00 1.00 O ATOM 744 CB GLN A 48 83.931 9.656 16.190 1.00 1.00 C ATOM 745 CG GLN A 48 84.449 10.341 17.456 1.00 1.00 C ATOM 746 CD GLN A 48 84.116 11.833 17.402 1.00 1.00 C ATOM 747 OE1 GLN A 48 83.093 12.258 17.902 1.00 1.00 O ATOM 748 NE2 GLN A 48 84.943 12.653 16.812 1.00 1.00 N ATOM 0 H GLN A 48 82.456 8.102 14.918 1.00 1.00 H new ATOM 0 HA GLN A 48 81.976 9.984 17.035 1.00 1.00 H new ATOM 0 HB2 GLN A 48 84.123 8.584 16.240 1.00 1.00 H new ATOM 0 HB3 GLN A 48 84.462 10.035 15.316 1.00 1.00 H new ATOM 0 HG2 GLN A 48 83.996 9.888 18.338 1.00 1.00 H new ATOM 0 HG3 GLN A 48 85.526 10.201 17.543 1.00 1.00 H new ATOM 0 HE21 GLN A 48 85.802 12.297 16.392 1.00 1.00 H new ATOM 0 HE22 GLN A 48 84.730 13.650 16.771 1.00 1.00 H new ATOM 757 N GLY A 49 82.301 11.200 13.990 1.00 1.00 N ATOM 758 CA GLY A 49 82.091 12.445 13.199 1.00 1.00 C ATOM 759 C GLY A 49 82.403 12.174 11.727 1.00 1.00 C ATOM 760 O GLY A 49 83.547 12.142 11.320 1.00 1.00 O ATOM 0 H GLY A 49 82.521 10.369 13.441 1.00 1.00 H new ATOM 0 HA2 GLY A 49 81.062 12.787 13.306 1.00 1.00 H new ATOM 0 HA3 GLY A 49 82.733 13.241 13.577 1.00 1.00 H new ATOM 764 N CYS A 50 81.393 11.979 10.924 1.00 1.00 N ATOM 765 CA CYS A 50 81.630 11.710 9.477 1.00 1.00 C ATOM 766 C CYS A 50 80.359 12.025 8.686 1.00 1.00 C ATOM 767 O CYS A 50 80.407 12.336 7.513 1.00 1.00 O ATOM 768 CB CYS A 50 81.997 10.237 9.287 1.00 1.00 C ATOM 769 SG CYS A 50 80.548 9.206 9.621 1.00 1.00 S ATOM 0 H CYS A 50 80.413 11.994 11.207 1.00 1.00 H new ATOM 0 HA CYS A 50 82.446 12.337 9.119 1.00 1.00 H new ATOM 0 HB2 CYS A 50 82.350 10.068 8.270 1.00 1.00 H new ATOM 0 HB3 CYS A 50 82.812 9.965 9.957 1.00 1.00 H new ATOM 774 N GLY A 51 79.222 11.946 9.320 1.00 1.00 N ATOM 775 CA GLY A 51 77.947 12.240 8.607 1.00 1.00 C ATOM 776 C GLY A 51 76.816 12.391 9.626 1.00 1.00 C ATOM 777 O GLY A 51 76.489 13.482 10.048 1.00 1.00 O ATOM 0 H GLY A 51 79.120 11.690 10.302 1.00 1.00 H new ATOM 0 HA2 GLY A 51 78.048 13.154 8.021 1.00 1.00 H new ATOM 0 HA3 GLY A 51 77.716 11.437 7.907 1.00 1.00 H new ATOM 781 N ASP A 52 76.217 11.302 10.025 1.00 1.00 N ATOM 782 CA ASP A 52 75.107 11.383 11.018 1.00 1.00 C ATOM 783 C ASP A 52 74.130 12.485 10.605 1.00 1.00 C ATOM 784 O ASP A 52 74.117 13.560 11.170 1.00 1.00 O ATOM 785 CB ASP A 52 75.681 11.702 12.400 1.00 1.00 C ATOM 786 CG ASP A 52 76.865 10.777 12.687 1.00 1.00 C ATOM 787 OD1 ASP A 52 77.946 11.062 12.198 1.00 1.00 O ATOM 788 OD2 ASP A 52 76.672 9.800 13.390 1.00 1.00 O ATOM 0 H ASP A 52 76.448 10.361 9.707 1.00 1.00 H new ATOM 0 HA ASP A 52 74.582 10.428 11.054 1.00 1.00 H new ATOM 0 HB2 ASP A 52 76.001 12.743 12.441 1.00 1.00 H new ATOM 0 HB3 ASP A 52 74.913 11.574 13.163 1.00 1.00 H new ATOM 793 N ASP A 53 73.311 12.228 9.622 1.00 1.00 N ATOM 794 CA ASP A 53 72.336 13.263 9.174 1.00 1.00 C ATOM 795 C ASP A 53 71.163 12.586 8.464 1.00 1.00 C ATOM 796 O ASP A 53 70.040 13.047 8.522 1.00 1.00 O ATOM 797 CB ASP A 53 73.026 14.229 8.208 1.00 1.00 C ATOM 798 CG ASP A 53 73.587 13.448 7.018 1.00 1.00 C ATOM 799 OD1 ASP A 53 72.795 12.904 6.266 1.00 1.00 O ATOM 800 OD2 ASP A 53 74.798 13.409 6.878 1.00 1.00 O ATOM 0 H ASP A 53 73.275 11.347 9.110 1.00 1.00 H new ATOM 0 HA ASP A 53 71.968 13.814 10.040 1.00 1.00 H new ATOM 0 HB2 ASP A 53 72.317 14.981 7.861 1.00 1.00 H new ATOM 0 HB3 ASP A 53 73.829 14.760 8.719 1.00 1.00 H new ATOM 805 N ILE A 54 71.413 11.496 7.791 1.00 1.00 N ATOM 806 CA ILE A 54 70.311 10.793 7.077 1.00 1.00 C ATOM 807 C ILE A 54 69.242 10.360 8.093 1.00 1.00 C ATOM 808 O ILE A 54 69.556 9.763 9.104 1.00 1.00 O ATOM 809 CB ILE A 54 70.881 9.561 6.363 1.00 1.00 C ATOM 810 CG1 ILE A 54 69.867 9.055 5.335 1.00 1.00 C ATOM 811 CG2 ILE A 54 71.159 8.459 7.387 1.00 1.00 C ATOM 812 CD1 ILE A 54 70.491 7.923 4.516 1.00 1.00 C ATOM 0 H ILE A 54 72.332 11.063 7.705 1.00 1.00 H new ATOM 0 HA ILE A 54 69.858 11.460 6.343 1.00 1.00 H new ATOM 0 HB ILE A 54 71.809 9.831 5.859 1.00 1.00 H new ATOM 0 HG12 ILE A 54 68.968 8.700 5.839 1.00 1.00 H new ATOM 0 HG13 ILE A 54 69.563 9.869 4.677 1.00 1.00 H new ATOM 0 HG21 ILE A 54 71.564 7.584 6.879 1.00 1.00 H new ATOM 0 HG22 ILE A 54 71.880 8.818 8.121 1.00 1.00 H new ATOM 0 HG23 ILE A 54 70.231 8.189 7.891 1.00 1.00 H new ATOM 0 HD11 ILE A 54 69.768 7.563 3.784 1.00 1.00 H new ATOM 0 HD12 ILE A 54 71.377 8.293 4.000 1.00 1.00 H new ATOM 0 HD13 ILE A 54 70.773 7.106 5.180 1.00 1.00 H new ATOM 824 N PRO A 55 67.988 10.657 7.838 1.00 1.00 N ATOM 825 CA PRO A 55 66.878 10.285 8.764 1.00 1.00 C ATOM 826 C PRO A 55 66.566 8.783 8.734 1.00 1.00 C ATOM 827 O PRO A 55 66.908 8.054 9.644 1.00 1.00 O ATOM 828 CB PRO A 55 65.685 11.097 8.250 1.00 1.00 C ATOM 829 CG PRO A 55 65.970 11.337 6.803 1.00 1.00 C ATOM 830 CD PRO A 55 67.494 11.372 6.650 1.00 1.00 C ATOM 0 HA PRO A 55 67.132 10.498 9.802 1.00 1.00 H new ATOM 0 HB2 PRO A 55 64.751 10.551 8.382 1.00 1.00 H new ATOM 0 HB3 PRO A 55 65.585 12.037 8.793 1.00 1.00 H new ATOM 0 HG2 PRO A 55 65.538 10.547 6.188 1.00 1.00 H new ATOM 0 HG3 PRO A 55 65.527 12.277 6.473 1.00 1.00 H new ATOM 0 HD2 PRO A 55 67.814 10.884 5.729 1.00 1.00 H new ATOM 0 HD3 PRO A 55 67.868 12.395 6.616 1.00 1.00 H new ATOM 838 N GLY A 56 65.915 8.316 7.700 1.00 1.00 N ATOM 839 CA GLY A 56 65.577 6.863 7.619 1.00 1.00 C ATOM 840 C GLY A 56 65.866 6.339 6.210 1.00 1.00 C ATOM 841 O GLY A 56 64.968 5.977 5.476 1.00 1.00 O ATOM 0 H GLY A 56 65.603 8.878 6.908 1.00 1.00 H new ATOM 0 HA2 GLY A 56 66.160 6.304 8.351 1.00 1.00 H new ATOM 0 HA3 GLY A 56 64.526 6.711 7.865 1.00 1.00 H new ATOM 845 N MET A 57 67.114 6.290 5.830 1.00 1.00 N ATOM 846 CA MET A 57 67.468 5.783 4.472 1.00 1.00 C ATOM 847 C MET A 57 66.519 6.380 3.429 1.00 1.00 C ATOM 848 O MET A 57 66.363 5.851 2.346 1.00 1.00 O ATOM 849 CB MET A 57 67.351 4.257 4.451 1.00 1.00 C ATOM 850 CG MET A 57 67.936 3.682 5.742 1.00 1.00 C ATOM 851 SD MET A 57 68.110 1.887 5.579 1.00 1.00 S ATOM 852 CE MET A 57 67.806 1.471 7.314 1.00 1.00 C ATOM 0 H MET A 57 67.906 6.580 6.403 1.00 1.00 H new ATOM 0 HA MET A 57 68.491 6.076 4.236 1.00 1.00 H new ATOM 0 HB2 MET A 57 66.306 3.963 4.350 1.00 1.00 H new ATOM 0 HB3 MET A 57 67.880 3.853 3.588 1.00 1.00 H new ATOM 0 HG2 MET A 57 68.906 4.135 5.948 1.00 1.00 H new ATOM 0 HG3 MET A 57 67.288 3.920 6.585 1.00 1.00 H new ATOM 0 HE1 MET A 57 67.866 0.391 7.445 1.00 1.00 H new ATOM 0 HE2 MET A 57 68.555 1.955 7.941 1.00 1.00 H new ATOM 0 HE3 MET A 57 66.813 1.817 7.603 1.00 1.00 H new ATOM 862 N GLU A 58 65.885 7.478 3.744 1.00 1.00 N ATOM 863 CA GLU A 58 64.948 8.108 2.768 1.00 1.00 C ATOM 864 C GLU A 58 65.102 9.629 2.828 1.00 1.00 C ATOM 865 O GLU A 58 64.158 10.349 3.084 1.00 1.00 O ATOM 866 CB GLU A 58 63.508 7.727 3.122 1.00 1.00 C ATOM 867 CG GLU A 58 63.244 6.281 2.698 1.00 1.00 C ATOM 868 CD GLU A 58 61.768 5.945 2.921 1.00 1.00 C ATOM 869 OE1 GLU A 58 60.988 6.161 2.008 1.00 1.00 O ATOM 870 OE2 GLU A 58 61.443 5.477 4.000 1.00 1.00 O ATOM 0 H GLU A 58 65.975 7.966 4.635 1.00 1.00 H new ATOM 0 HA GLU A 58 65.179 7.756 1.762 1.00 1.00 H new ATOM 0 HB2 GLU A 58 63.344 7.839 4.194 1.00 1.00 H new ATOM 0 HB3 GLU A 58 62.810 8.397 2.621 1.00 1.00 H new ATOM 0 HG2 GLU A 58 63.504 6.145 1.648 1.00 1.00 H new ATOM 0 HG3 GLU A 58 63.873 5.602 3.273 1.00 1.00 H new ATOM 877 N GLY A 59 66.287 10.123 2.591 1.00 1.00 N ATOM 878 CA GLY A 59 66.506 11.598 2.632 1.00 1.00 C ATOM 879 C GLY A 59 67.593 11.977 1.626 1.00 1.00 C ATOM 880 O GLY A 59 67.719 11.374 0.579 1.00 1.00 O ATOM 0 H GLY A 59 67.114 9.568 2.370 1.00 1.00 H new ATOM 0 HA2 GLY A 59 65.579 12.121 2.397 1.00 1.00 H new ATOM 0 HA3 GLY A 59 66.800 11.906 3.635 1.00 1.00 H new ATOM 884 N CYS A 60 68.381 12.972 1.933 1.00 1.00 N ATOM 885 CA CYS A 60 69.459 13.388 0.993 1.00 1.00 C ATOM 886 C CYS A 60 68.834 13.866 -0.320 1.00 1.00 C ATOM 887 O CYS A 60 68.790 15.046 -0.605 1.00 1.00 O ATOM 888 CB CYS A 60 70.385 12.199 0.720 1.00 1.00 C ATOM 889 SG CYS A 60 72.001 12.806 0.175 1.00 1.00 S ATOM 0 H CYS A 60 68.324 13.514 2.795 1.00 1.00 H new ATOM 0 HA CYS A 60 70.035 14.200 1.436 1.00 1.00 H new ATOM 0 HB2 CYS A 60 70.496 11.596 1.621 1.00 1.00 H new ATOM 0 HB3 CYS A 60 69.951 11.554 -0.043 1.00 1.00 H new ATOM 894 N GLY A 61 68.348 12.958 -1.117 1.00 1.00 N ATOM 895 CA GLY A 61 67.722 13.354 -2.411 1.00 1.00 C ATOM 896 C GLY A 61 66.806 12.231 -2.898 1.00 1.00 C ATOM 897 O GLY A 61 66.657 12.013 -4.084 1.00 1.00 O ATOM 0 H GLY A 61 68.357 11.955 -0.929 1.00 1.00 H new ATOM 0 HA2 GLY A 61 67.152 14.274 -2.285 1.00 1.00 H new ATOM 0 HA3 GLY A 61 68.494 13.556 -3.154 1.00 1.00 H new ATOM 901 N THR A 62 66.194 11.518 -1.986 1.00 1.00 N ATOM 902 CA THR A 62 65.280 10.397 -2.371 1.00 1.00 C ATOM 903 C THR A 62 65.800 9.695 -3.628 1.00 1.00 C ATOM 904 O THR A 62 65.038 9.172 -4.417 1.00 1.00 O ATOM 905 CB THR A 62 63.867 10.937 -2.627 1.00 1.00 C ATOM 906 OG1 THR A 62 63.032 9.879 -3.076 1.00 1.00 O ATOM 907 CG2 THR A 62 63.923 12.033 -3.692 1.00 1.00 C ATOM 0 H THR A 62 66.289 11.666 -0.981 1.00 1.00 H new ATOM 0 HA THR A 62 65.247 9.678 -1.553 1.00 1.00 H new ATOM 0 HB THR A 62 63.463 11.352 -1.704 1.00 1.00 H new ATOM 0 HG1 THR A 62 63.390 9.511 -3.911 1.00 1.00 H new ATOM 0 HG21 THR A 62 62.919 12.416 -3.873 1.00 1.00 H new ATOM 0 HG22 THR A 62 64.564 12.844 -3.346 1.00 1.00 H new ATOM 0 HG23 THR A 62 64.327 11.621 -4.617 1.00 1.00 H new ATOM 915 N ASP A 63 67.090 9.676 -3.820 1.00 1.00 N ATOM 916 CA ASP A 63 67.652 9.005 -5.025 1.00 1.00 C ATOM 917 C ASP A 63 67.357 7.506 -4.952 1.00 1.00 C ATOM 918 O ASP A 63 67.559 6.776 -5.902 1.00 1.00 O ATOM 919 CB ASP A 63 69.166 9.225 -5.072 1.00 1.00 C ATOM 920 CG ASP A 63 69.460 10.662 -5.508 1.00 1.00 C ATOM 921 OD1 ASP A 63 69.539 11.518 -4.643 1.00 1.00 O ATOM 922 OD2 ASP A 63 69.601 10.881 -6.700 1.00 1.00 O ATOM 0 H ASP A 63 67.778 10.096 -3.195 1.00 1.00 H new ATOM 0 HA ASP A 63 67.197 9.424 -5.922 1.00 1.00 H new ATOM 0 HB2 ASP A 63 69.602 9.035 -4.091 1.00 1.00 H new ATOM 0 HB3 ASP A 63 69.625 8.522 -5.767 1.00 1.00 H new ATOM 927 N ILE A 64 66.879 7.041 -3.830 1.00 1.00 N ATOM 928 CA ILE A 64 66.570 5.590 -3.695 1.00 1.00 C ATOM 929 C ILE A 64 65.239 5.284 -4.391 1.00 1.00 C ATOM 930 O ILE A 64 65.203 4.956 -5.560 1.00 1.00 O ATOM 931 CB ILE A 64 66.489 5.225 -2.205 1.00 1.00 C ATOM 932 CG1 ILE A 64 65.896 3.822 -2.057 1.00 1.00 C ATOM 933 CG2 ILE A 64 65.597 6.234 -1.479 1.00 1.00 C ATOM 934 CD1 ILE A 64 66.336 3.220 -0.721 1.00 1.00 C ATOM 0 H ILE A 64 66.689 7.604 -3.001 1.00 1.00 H new ATOM 0 HA ILE A 64 67.356 4.998 -4.164 1.00 1.00 H new ATOM 0 HB ILE A 64 67.489 5.246 -1.771 1.00 1.00 H new ATOM 0 HG12 ILE A 64 64.808 3.868 -2.106 1.00 1.00 H new ATOM 0 HG13 ILE A 64 66.226 3.188 -2.880 1.00 1.00 H new ATOM 0 HG21 ILE A 64 65.540 5.975 -0.422 1.00 1.00 H new ATOM 0 HG22 ILE A 64 66.018 7.234 -1.585 1.00 1.00 H new ATOM 0 HG23 ILE A 64 64.597 6.213 -1.912 1.00 1.00 H new ATOM 0 HD11 ILE A 64 65.914 2.221 -0.616 1.00 1.00 H new ATOM 0 HD12 ILE A 64 67.424 3.159 -0.690 1.00 1.00 H new ATOM 0 HD13 ILE A 64 65.984 3.851 0.096 1.00 1.00 H new ATOM 946 N THR A 65 64.145 5.389 -3.687 1.00 1.00 N ATOM 947 CA THR A 65 62.823 5.105 -4.314 1.00 1.00 C ATOM 948 C THR A 65 62.877 3.761 -5.044 1.00 1.00 C ATOM 949 O THR A 65 62.775 3.696 -6.253 1.00 1.00 O ATOM 950 CB THR A 65 62.479 6.215 -5.310 1.00 1.00 C ATOM 951 OG1 THR A 65 62.789 7.476 -4.736 1.00 1.00 O ATOM 952 CG2 THR A 65 60.988 6.158 -5.646 1.00 1.00 C ATOM 0 H THR A 65 64.110 5.659 -2.704 1.00 1.00 H new ATOM 0 HA THR A 65 62.058 5.064 -3.539 1.00 1.00 H new ATOM 0 HB THR A 65 63.060 6.078 -6.222 1.00 1.00 H new ATOM 0 HG1 THR A 65 63.737 7.678 -4.883 1.00 1.00 H new ATOM 0 HG21 THR A 65 60.744 6.949 -6.355 1.00 1.00 H new ATOM 0 HG22 THR A 65 60.751 5.190 -6.087 1.00 1.00 H new ATOM 0 HG23 THR A 65 60.404 6.295 -4.736 1.00 1.00 H new ATOM 960 N VAL A 66 63.030 2.688 -4.319 1.00 1.00 N ATOM 961 CA VAL A 66 63.084 1.347 -4.968 1.00 1.00 C ATOM 962 C VAL A 66 64.256 1.293 -5.952 1.00 1.00 C ATOM 963 O VAL A 66 64.545 0.264 -6.530 1.00 1.00 O ATOM 964 CB VAL A 66 61.770 1.091 -5.714 1.00 1.00 C ATOM 965 CG1 VAL A 66 61.593 -0.412 -5.938 1.00 1.00 C ATOM 966 CG2 VAL A 66 60.601 1.622 -4.882 1.00 1.00 C ATOM 0 H VAL A 66 63.120 2.681 -3.303 1.00 1.00 H new ATOM 0 HA VAL A 66 63.225 0.581 -4.205 1.00 1.00 H new ATOM 0 HB VAL A 66 61.794 1.601 -6.677 1.00 1.00 H new ATOM 0 HG11 VAL A 66 60.658 -0.593 -6.469 1.00 1.00 H new ATOM 0 HG12 VAL A 66 62.426 -0.792 -6.530 1.00 1.00 H new ATOM 0 HG13 VAL A 66 61.569 -0.923 -4.975 1.00 1.00 H new ATOM 0 HG21 VAL A 66 59.666 1.441 -5.411 1.00 1.00 H new ATOM 0 HG22 VAL A 66 60.578 1.111 -3.919 1.00 1.00 H new ATOM 0 HG23 VAL A 66 60.725 2.693 -4.722 1.00 1.00 H new ATOM 976 N ILE A 67 64.938 2.392 -6.144 1.00 1.00 N ATOM 977 CA ILE A 67 66.097 2.404 -7.086 1.00 1.00 C ATOM 978 C ILE A 67 67.279 3.108 -6.421 1.00 1.00 C ATOM 979 O ILE A 67 67.409 4.314 -6.486 1.00 1.00 O ATOM 980 CB ILE A 67 65.718 3.154 -8.364 1.00 1.00 C ATOM 981 CG1 ILE A 67 64.490 2.494 -8.996 1.00 1.00 C ATOM 982 CG2 ILE A 67 66.886 3.105 -9.351 1.00 1.00 C ATOM 983 CD1 ILE A 67 63.968 3.372 -10.135 1.00 1.00 C ATOM 0 H ILE A 67 64.742 3.283 -5.688 1.00 1.00 H new ATOM 0 HA ILE A 67 66.369 1.379 -7.336 1.00 1.00 H new ATOM 0 HB ILE A 67 65.491 4.192 -8.122 1.00 1.00 H new ATOM 0 HG12 ILE A 67 64.750 1.505 -9.374 1.00 1.00 H new ATOM 0 HG13 ILE A 67 63.712 2.354 -8.245 1.00 1.00 H new ATOM 0 HG21 ILE A 67 66.616 3.640 -10.262 1.00 1.00 H new ATOM 0 HG22 ILE A 67 67.762 3.573 -8.902 1.00 1.00 H new ATOM 0 HG23 ILE A 67 67.114 2.067 -9.594 1.00 1.00 H new ATOM 0 HD11 ILE A 67 63.094 2.902 -10.585 1.00 1.00 H new ATOM 0 HD12 ILE A 67 63.692 4.351 -9.743 1.00 1.00 H new ATOM 0 HD13 ILE A 67 64.746 3.489 -10.890 1.00 1.00 H new ATOM 995 N CYS A 68 68.142 2.363 -5.782 1.00 1.00 N ATOM 996 CA CYS A 68 69.320 2.984 -5.112 1.00 1.00 C ATOM 997 C CYS A 68 70.590 2.626 -5.889 1.00 1.00 C ATOM 998 O CYS A 68 70.677 1.577 -6.496 1.00 1.00 O ATOM 999 CB CYS A 68 69.421 2.460 -3.677 1.00 1.00 C ATOM 1000 SG CYS A 68 70.098 0.781 -3.693 1.00 1.00 S ATOM 0 H CYS A 68 68.081 1.349 -5.696 1.00 1.00 H new ATOM 0 HA CYS A 68 69.205 4.068 -5.091 1.00 1.00 H new ATOM 0 HB2 CYS A 68 70.059 3.115 -3.084 1.00 1.00 H new ATOM 0 HB3 CYS A 68 68.437 2.462 -3.208 1.00 1.00 H new ATOM 1005 N PRO A 69 71.568 3.496 -5.887 1.00 1.00 N ATOM 1006 CA PRO A 69 72.847 3.278 -6.618 1.00 1.00 C ATOM 1007 C PRO A 69 73.309 1.814 -6.612 1.00 1.00 C ATOM 1008 O PRO A 69 73.860 1.332 -7.582 1.00 1.00 O ATOM 1009 CB PRO A 69 73.828 4.167 -5.859 1.00 1.00 C ATOM 1010 CG PRO A 69 73.002 5.315 -5.377 1.00 1.00 C ATOM 1011 CD PRO A 69 71.573 4.790 -5.184 1.00 1.00 C ATOM 0 HA PRO A 69 72.756 3.518 -7.677 1.00 1.00 H new ATOM 0 HB2 PRO A 69 74.286 3.632 -5.027 1.00 1.00 H new ATOM 0 HB3 PRO A 69 74.638 4.505 -6.505 1.00 1.00 H new ATOM 0 HG2 PRO A 69 73.398 5.709 -4.441 1.00 1.00 H new ATOM 0 HG3 PRO A 69 73.019 6.132 -6.099 1.00 1.00 H new ATOM 0 HD2 PRO A 69 71.331 4.671 -4.128 1.00 1.00 H new ATOM 0 HD3 PRO A 69 70.836 5.475 -5.604 1.00 1.00 H new ATOM 1019 N TRP A 70 73.098 1.099 -5.539 1.00 1.00 N ATOM 1020 CA TRP A 70 73.540 -0.326 -5.510 1.00 1.00 C ATOM 1021 C TRP A 70 72.807 -1.099 -6.608 1.00 1.00 C ATOM 1022 O TRP A 70 73.044 -2.271 -6.824 1.00 1.00 O ATOM 1023 CB TRP A 70 73.220 -0.945 -4.145 1.00 1.00 C ATOM 1024 CG TRP A 70 73.549 -2.403 -4.167 1.00 1.00 C ATOM 1025 CD1 TRP A 70 74.574 -2.958 -4.853 1.00 1.00 C ATOM 1026 CD2 TRP A 70 72.871 -3.500 -3.487 1.00 1.00 C ATOM 1027 NE1 TRP A 70 74.570 -4.323 -4.639 1.00 1.00 N ATOM 1028 CE2 TRP A 70 73.540 -4.707 -3.804 1.00 1.00 C ATOM 1029 CE3 TRP A 70 71.754 -3.565 -2.637 1.00 1.00 C ATOM 1030 CZ2 TRP A 70 73.113 -5.936 -3.293 1.00 1.00 C ATOM 1031 CZ3 TRP A 70 71.322 -4.796 -2.121 1.00 1.00 C ATOM 1032 CH2 TRP A 70 71.999 -5.979 -2.448 1.00 1.00 C ATOM 0 H TRP A 70 72.644 1.435 -4.690 1.00 1.00 H new ATOM 0 HA TRP A 70 74.616 -0.376 -5.678 1.00 1.00 H new ATOM 0 HB2 TRP A 70 73.792 -0.444 -3.364 1.00 1.00 H new ATOM 0 HB3 TRP A 70 72.166 -0.803 -3.908 1.00 1.00 H new ATOM 0 HD1 TRP A 70 75.281 -2.421 -5.468 1.00 1.00 H new ATOM 0 HE1 TRP A 70 75.246 -4.968 -5.048 1.00 1.00 H new ATOM 0 HE3 TRP A 70 71.224 -2.660 -2.379 1.00 1.00 H new ATOM 0 HZ2 TRP A 70 73.638 -6.844 -3.548 1.00 1.00 H new ATOM 0 HZ3 TRP A 70 70.463 -4.832 -1.468 1.00 1.00 H new ATOM 0 HH2 TRP A 70 71.661 -6.923 -2.048 1.00 1.00 H new ATOM 1043 N GLU A 71 71.915 -0.446 -7.305 1.00 1.00 N ATOM 1044 CA GLU A 71 71.160 -1.131 -8.392 1.00 1.00 C ATOM 1045 C GLU A 71 71.820 -0.829 -9.741 1.00 1.00 C ATOM 1046 O GLU A 71 71.893 -1.675 -10.610 1.00 1.00 O ATOM 1047 CB GLU A 71 69.717 -0.618 -8.404 1.00 1.00 C ATOM 1048 CG GLU A 71 68.933 -1.270 -7.263 1.00 1.00 C ATOM 1049 CD GLU A 71 68.598 -2.716 -7.634 1.00 1.00 C ATOM 1050 OE1 GLU A 71 67.715 -2.907 -8.455 1.00 1.00 O ATOM 1051 OE2 GLU A 71 69.230 -3.608 -7.092 1.00 1.00 O ATOM 0 H GLU A 71 71.677 0.536 -7.167 1.00 1.00 H new ATOM 0 HA GLU A 71 71.165 -2.207 -8.219 1.00 1.00 H new ATOM 0 HB2 GLU A 71 69.705 0.466 -8.295 1.00 1.00 H new ATOM 0 HB3 GLU A 71 69.246 -0.847 -9.360 1.00 1.00 H new ATOM 0 HG2 GLU A 71 69.519 -1.246 -6.344 1.00 1.00 H new ATOM 0 HG3 GLU A 71 68.017 -0.711 -7.071 1.00 1.00 H new ATOM 1058 N ALA A 72 72.295 0.373 -9.925 1.00 1.00 N ATOM 1059 CA ALA A 72 72.943 0.731 -11.219 1.00 1.00 C ATOM 1060 C ALA A 72 74.358 0.149 -11.273 1.00 1.00 C ATOM 1061 O ALA A 72 74.798 -0.338 -12.296 1.00 1.00 O ATOM 1062 CB ALA A 72 73.015 2.254 -11.348 1.00 1.00 C ATOM 0 H ALA A 72 72.262 1.123 -9.235 1.00 1.00 H new ATOM 0 HA ALA A 72 72.355 0.320 -12.039 1.00 1.00 H new ATOM 0 HB1 ALA A 72 73.489 2.517 -12.294 1.00 1.00 H new ATOM 0 HB2 ALA A 72 72.008 2.670 -11.319 1.00 1.00 H new ATOM 0 HB3 ALA A 72 73.600 2.662 -10.524 1.00 1.00 H new ATOM 1068 N CYS A 73 75.078 0.201 -10.186 1.00 1.00 N ATOM 1069 CA CYS A 73 76.465 -0.345 -10.187 1.00 1.00 C ATOM 1070 C CYS A 73 76.416 -1.874 -10.235 1.00 1.00 C ATOM 1071 O CYS A 73 77.081 -2.550 -9.476 1.00 1.00 O ATOM 1072 CB CYS A 73 77.193 0.104 -8.917 1.00 1.00 C ATOM 1073 SG CYS A 73 76.544 -0.808 -7.495 1.00 1.00 S ATOM 0 H CYS A 73 74.767 0.597 -9.299 1.00 1.00 H new ATOM 0 HA CYS A 73 76.998 0.027 -11.062 1.00 1.00 H new ATOM 0 HB2 CYS A 73 78.264 -0.072 -9.017 1.00 1.00 H new ATOM 0 HB3 CYS A 73 77.059 1.175 -8.768 1.00 1.00 H new ATOM 1078 N ASN A 74 75.636 -2.427 -11.124 1.00 1.00 N ATOM 1079 CA ASN A 74 75.550 -3.912 -11.218 1.00 1.00 C ATOM 1080 C ASN A 74 76.896 -4.471 -11.689 1.00 1.00 C ATOM 1081 O ASN A 74 77.023 -4.957 -12.795 1.00 1.00 O ATOM 1082 CB ASN A 74 74.459 -4.298 -12.220 1.00 1.00 C ATOM 1083 CG ASN A 74 74.298 -5.819 -12.240 1.00 1.00 C ATOM 1084 OD1 ASN A 74 75.078 -6.556 -11.497 1.00 1.00 O flip ATOM 1085 ND2 ASN A 74 73.453 -6.343 -12.939 1.00 1.00 N flip ATOM 0 H ASN A 74 75.055 -1.915 -11.788 1.00 1.00 H new ATOM 0 HA ASN A 74 75.306 -4.325 -10.239 1.00 1.00 H new ATOM 0 HB2 ASN A 74 73.516 -3.826 -11.946 1.00 1.00 H new ATOM 0 HB3 ASN A 74 74.720 -3.936 -13.215 1.00 1.00 H new ATOM 0 HD21 ASN A 74 72.843 -5.768 -13.520 1.00 1.00 H new ATOM 0 HD22 ASN A 74 73.354 -7.358 -12.945 1.00 1.00 H new ATOM 1092 N HIS A 75 77.901 -4.404 -10.858 1.00 1.00 N ATOM 1093 CA HIS A 75 79.238 -4.929 -11.257 1.00 1.00 C ATOM 1094 C HIS A 75 80.091 -5.154 -10.006 1.00 1.00 C ATOM 1095 O HIS A 75 81.273 -5.421 -10.089 1.00 1.00 O ATOM 1096 CB HIS A 75 79.933 -3.917 -12.172 1.00 1.00 C ATOM 1097 CG HIS A 75 79.330 -3.987 -13.548 1.00 1.00 C ATOM 1098 ND1 HIS A 75 79.192 -5.025 -14.438 1.00 1.00 N flip ATOM 1099 CD2 HIS A 75 78.769 -2.879 -14.166 1.00 1.00 C flip ATOM 1100 CE1 HIS A 75 78.556 -4.566 -15.588 1.00 1.00 C flip ATOM 1101 NE2 HIS A 75 78.323 -3.270 -15.374 1.00 1.00 N flip ATOM 0 H HIS A 75 77.854 -4.008 -9.919 1.00 1.00 H new ATOM 0 HA HIS A 75 79.113 -5.873 -11.788 1.00 1.00 H new ATOM 0 HB2 HIS A 75 79.825 -2.911 -11.767 1.00 1.00 H new ATOM 0 HB3 HIS A 75 81.001 -4.128 -12.220 1.00 1.00 H new ATOM 0 HD2 HIS A 75 78.702 -1.883 -13.753 1.00 1.00 H new ATOM 0 HE1 HIS A 75 78.304 -5.139 -16.468 1.00 1.00 H new ATOM 0 HE2 HIS A 75 77.864 -2.652 -16.043 1.00 1.00 H new ATOM 1110 N CYS A 76 79.499 -5.046 -8.846 1.00 1.00 N ATOM 1111 CA CYS A 76 80.269 -5.250 -7.586 1.00 1.00 C ATOM 1112 C CYS A 76 79.981 -6.649 -7.036 1.00 1.00 C ATOM 1113 O CYS A 76 80.651 -7.126 -6.142 1.00 1.00 O ATOM 1114 CB CYS A 76 79.848 -4.191 -6.560 1.00 1.00 C ATOM 1115 SG CYS A 76 80.045 -4.853 -4.887 1.00 1.00 S ATOM 0 H CYS A 76 78.512 -4.824 -8.718 1.00 1.00 H new ATOM 0 HA CYS A 76 81.336 -5.156 -7.786 1.00 1.00 H new ATOM 0 HB2 CYS A 76 80.454 -3.293 -6.680 1.00 1.00 H new ATOM 0 HB3 CYS A 76 78.811 -3.901 -6.727 1.00 1.00 H new ATOM 1120 N GLU A 77 78.988 -7.310 -7.563 1.00 1.00 N ATOM 1121 CA GLU A 77 78.658 -8.675 -7.068 1.00 1.00 C ATOM 1122 C GLU A 77 79.810 -9.631 -7.387 1.00 1.00 C ATOM 1123 O GLU A 77 79.858 -10.231 -8.443 1.00 1.00 O ATOM 1124 CB GLU A 77 77.379 -9.169 -7.749 1.00 1.00 C ATOM 1125 CG GLU A 77 76.209 -8.263 -7.359 1.00 1.00 C ATOM 1126 CD GLU A 77 74.890 -8.991 -7.621 1.00 1.00 C ATOM 1127 OE1 GLU A 77 74.422 -9.671 -6.722 1.00 1.00 O ATOM 1128 OE2 GLU A 77 74.369 -8.857 -8.716 1.00 1.00 O ATOM 0 H GLU A 77 78.391 -6.964 -8.314 1.00 1.00 H new ATOM 0 HA GLU A 77 78.506 -8.642 -5.989 1.00 1.00 H new ATOM 0 HB2 GLU A 77 77.508 -9.169 -8.831 1.00 1.00 H new ATOM 0 HB3 GLU A 77 77.171 -10.197 -7.453 1.00 1.00 H new ATOM 0 HG2 GLU A 77 76.283 -7.989 -6.307 1.00 1.00 H new ATOM 0 HG3 GLU A 77 76.246 -7.337 -7.933 1.00 1.00 H new ATOM 1135 N LEU A 78 80.736 -9.781 -6.479 1.00 1.00 N ATOM 1136 CA LEU A 78 81.882 -10.703 -6.723 1.00 1.00 C ATOM 1137 C LEU A 78 82.703 -10.199 -7.916 1.00 1.00 C ATOM 1138 O LEU A 78 82.348 -10.408 -9.058 1.00 1.00 O ATOM 1139 CB LEU A 78 81.341 -12.108 -7.020 1.00 1.00 C ATOM 1140 CG LEU A 78 82.395 -13.154 -6.655 1.00 1.00 C ATOM 1141 CD1 LEU A 78 83.716 -12.813 -7.347 1.00 1.00 C ATOM 1142 CD2 LEU A 78 82.603 -13.160 -5.139 1.00 1.00 C ATOM 0 H LEU A 78 80.748 -9.304 -5.577 1.00 1.00 H new ATOM 0 HA LEU A 78 82.522 -10.737 -5.841 1.00 1.00 H new ATOM 0 HB2 LEU A 78 80.428 -12.284 -6.452 1.00 1.00 H new ATOM 0 HB3 LEU A 78 81.081 -12.193 -8.075 1.00 1.00 H new ATOM 0 HG LEU A 78 82.057 -14.138 -6.981 1.00 1.00 H new ATOM 0 HD11 LEU A 78 84.467 -13.559 -7.086 1.00 1.00 H new ATOM 0 HD12 LEU A 78 83.570 -12.807 -8.427 1.00 1.00 H new ATOM 0 HD13 LEU A 78 84.054 -11.829 -7.021 1.00 1.00 H new ATOM 0 HD21 LEU A 78 83.354 -13.905 -4.878 1.00 1.00 H new ATOM 0 HD22 LEU A 78 82.940 -12.176 -4.814 1.00 1.00 H new ATOM 0 HD23 LEU A 78 81.663 -13.403 -4.644 1.00 1.00 H new ATOM 1154 N HIS A 79 83.802 -9.541 -7.657 1.00 1.00 N ATOM 1155 CA HIS A 79 84.648 -9.030 -8.774 1.00 1.00 C ATOM 1156 C HIS A 79 85.959 -8.476 -8.208 1.00 1.00 C ATOM 1157 O HIS A 79 86.499 -8.992 -7.249 1.00 1.00 O ATOM 1158 CB HIS A 79 83.898 -7.920 -9.519 1.00 1.00 C ATOM 1159 CG HIS A 79 84.477 -7.761 -10.898 1.00 1.00 C ATOM 1160 ND1 HIS A 79 85.813 -8.012 -11.173 1.00 1.00 N ATOM 1161 CD2 HIS A 79 83.913 -7.376 -12.091 1.00 1.00 C ATOM 1162 CE1 HIS A 79 86.010 -7.778 -12.483 1.00 1.00 C ATOM 1163 NE2 HIS A 79 84.885 -7.389 -13.087 1.00 1.00 N ATOM 0 H HIS A 79 84.150 -9.336 -6.720 1.00 1.00 H new ATOM 0 HA HIS A 79 84.867 -9.843 -9.466 1.00 1.00 H new ATOM 0 HB2 HIS A 79 82.838 -8.164 -9.584 1.00 1.00 H new ATOM 0 HB3 HIS A 79 83.976 -6.982 -8.970 1.00 1.00 H new ATOM 0 HD2 HIS A 79 82.877 -7.106 -12.233 1.00 1.00 H new ATOM 0 HE1 HIS A 79 86.960 -7.891 -12.984 1.00 1.00 H new ATOM 0 HE2 HIS A 79 84.763 -7.151 -14.071 1.00 1.00 H new ATOM 1172 N GLU A 80 86.476 -7.429 -8.793 1.00 1.00 N ATOM 1173 CA GLU A 80 87.751 -6.845 -8.287 1.00 1.00 C ATOM 1174 C GLU A 80 87.495 -6.143 -6.951 1.00 1.00 C ATOM 1175 O GLU A 80 88.273 -6.252 -6.024 1.00 1.00 O ATOM 1176 CB GLU A 80 88.288 -5.832 -9.302 1.00 1.00 C ATOM 1177 CG GLU A 80 88.902 -6.575 -10.491 1.00 1.00 C ATOM 1178 CD GLU A 80 89.592 -5.572 -11.418 1.00 1.00 C ATOM 1179 OE1 GLU A 80 90.617 -5.041 -11.026 1.00 1.00 O ATOM 1180 OE2 GLU A 80 89.083 -5.354 -12.505 1.00 1.00 O ATOM 0 H GLU A 80 86.071 -6.953 -9.599 1.00 1.00 H new ATOM 0 HA GLU A 80 88.484 -7.640 -8.146 1.00 1.00 H new ATOM 0 HB2 GLU A 80 87.483 -5.181 -9.643 1.00 1.00 H new ATOM 0 HB3 GLU A 80 89.037 -5.194 -8.833 1.00 1.00 H new ATOM 0 HG2 GLU A 80 89.621 -7.315 -10.139 1.00 1.00 H new ATOM 0 HG3 GLU A 80 88.128 -7.116 -11.035 1.00 1.00 H new ATOM 1187 N LEU A 81 86.410 -5.425 -6.843 1.00 1.00 N ATOM 1188 CA LEU A 81 86.110 -4.722 -5.564 1.00 1.00 C ATOM 1189 C LEU A 81 86.026 -5.750 -4.435 1.00 1.00 C ATOM 1190 O LEU A 81 86.560 -5.549 -3.362 1.00 1.00 O ATOM 1191 CB LEU A 81 84.776 -3.983 -5.684 1.00 1.00 C ATOM 1192 CG LEU A 81 84.780 -3.122 -6.948 1.00 1.00 C ATOM 1193 CD1 LEU A 81 83.469 -2.338 -7.037 1.00 1.00 C ATOM 1194 CD2 LEU A 81 85.955 -2.144 -6.894 1.00 1.00 C ATOM 0 H LEU A 81 85.720 -5.295 -7.583 1.00 1.00 H new ATOM 0 HA LEU A 81 86.900 -4.003 -5.348 1.00 1.00 H new ATOM 0 HB2 LEU A 81 83.954 -4.698 -5.721 1.00 1.00 H new ATOM 0 HB3 LEU A 81 84.615 -3.358 -4.806 1.00 1.00 H new ATOM 0 HG LEU A 81 84.879 -3.763 -7.824 1.00 1.00 H new ATOM 0 HD11 LEU A 81 83.472 -1.725 -7.938 1.00 1.00 H new ATOM 0 HD12 LEU A 81 82.631 -3.034 -7.075 1.00 1.00 H new ATOM 0 HD13 LEU A 81 83.369 -1.696 -6.162 1.00 1.00 H new ATOM 0 HD21 LEU A 81 85.959 -1.530 -7.794 1.00 1.00 H new ATOM 0 HD22 LEU A 81 85.855 -1.503 -6.018 1.00 1.00 H new ATOM 0 HD23 LEU A 81 86.890 -2.701 -6.831 1.00 1.00 H new ATOM 1206 N ALA A 82 85.369 -6.853 -4.671 1.00 1.00 N ATOM 1207 CA ALA A 82 85.264 -7.898 -3.615 1.00 1.00 C ATOM 1208 C ALA A 82 86.670 -8.288 -3.162 1.00 1.00 C ATOM 1209 O ALA A 82 87.334 -7.536 -2.481 1.00 1.00 O ATOM 1210 CB ALA A 82 84.549 -9.126 -4.183 1.00 1.00 C ATOM 0 H ALA A 82 84.901 -7.075 -5.550 1.00 1.00 H new ATOM 0 HA ALA A 82 84.698 -7.513 -2.767 1.00 1.00 H new ATOM 0 HB1 ALA A 82 84.472 -9.891 -3.411 1.00 1.00 H new ATOM 0 HB2 ALA A 82 83.550 -8.844 -4.516 1.00 1.00 H new ATOM 0 HB3 ALA A 82 85.115 -9.519 -5.028 1.00 1.00 H new ATOM 1216 N GLN A 83 87.130 -9.456 -3.531 1.00 1.00 N ATOM 1217 CA GLN A 83 88.495 -9.884 -3.108 1.00 1.00 C ATOM 1218 C GLN A 83 88.671 -9.553 -1.624 1.00 1.00 C ATOM 1219 O GLN A 83 88.380 -10.360 -0.764 1.00 1.00 O ATOM 1220 CB GLN A 83 89.547 -9.148 -3.944 1.00 1.00 C ATOM 1221 CG GLN A 83 90.905 -9.832 -3.772 1.00 1.00 C ATOM 1222 CD GLN A 83 90.933 -11.125 -4.589 1.00 1.00 C ATOM 1223 OE1 GLN A 83 90.507 -12.162 -4.121 1.00 1.00 O ATOM 1224 NE2 GLN A 83 91.420 -11.107 -5.799 1.00 1.00 N ATOM 0 H GLN A 83 86.621 -10.129 -4.105 1.00 1.00 H new ATOM 0 HA GLN A 83 88.619 -10.956 -3.261 1.00 1.00 H new ATOM 0 HB2 GLN A 83 89.258 -9.149 -4.995 1.00 1.00 H new ATOM 0 HB3 GLN A 83 89.611 -8.106 -3.632 1.00 1.00 H new ATOM 0 HG2 GLN A 83 91.703 -9.166 -4.099 1.00 1.00 H new ATOM 0 HG3 GLN A 83 91.083 -10.051 -2.719 1.00 1.00 H new ATOM 0 HE21 GLN A 83 91.778 -10.236 -6.192 1.00 1.00 H new ATOM 0 HE22 GLN A 83 91.443 -11.964 -6.352 1.00 1.00 H new ATOM 1233 N TYR A 84 89.109 -8.363 -1.310 1.00 1.00 N ATOM 1234 CA TYR A 84 89.252 -7.991 0.120 1.00 1.00 C ATOM 1235 C TYR A 84 87.887 -8.160 0.781 1.00 1.00 C ATOM 1236 O TYR A 84 87.778 -8.405 1.965 1.00 1.00 O ATOM 1237 CB TYR A 84 89.693 -6.531 0.237 1.00 1.00 C ATOM 1238 CG TYR A 84 91.001 -6.338 -0.492 1.00 1.00 C ATOM 1239 CD1 TYR A 84 91.008 -6.146 -1.879 1.00 1.00 C ATOM 1240 CD2 TYR A 84 92.207 -6.351 0.218 1.00 1.00 C ATOM 1241 CE1 TYR A 84 92.220 -5.967 -2.555 1.00 1.00 C ATOM 1242 CE2 TYR A 84 93.420 -6.172 -0.458 1.00 1.00 C ATOM 1243 CZ TYR A 84 93.426 -5.980 -1.845 1.00 1.00 C ATOM 1244 OH TYR A 84 94.622 -5.804 -2.511 1.00 1.00 O ATOM 0 H TYR A 84 89.371 -7.640 -1.979 1.00 1.00 H new ATOM 0 HA TYR A 84 89.999 -8.622 0.602 1.00 1.00 H new ATOM 0 HB2 TYR A 84 88.930 -5.875 -0.183 1.00 1.00 H new ATOM 0 HB3 TYR A 84 89.806 -6.257 1.286 1.00 1.00 H new ATOM 0 HD1 TYR A 84 90.078 -6.136 -2.427 1.00 1.00 H new ATOM 0 HD2 TYR A 84 92.202 -6.499 1.288 1.00 1.00 H new ATOM 0 HE1 TYR A 84 92.225 -5.819 -3.625 1.00 1.00 H new ATOM 0 HE2 TYR A 84 94.351 -6.182 0.090 1.00 1.00 H new ATOM 0 HH TYR A 84 95.362 -5.839 -1.869 1.00 1.00 H new ATOM 1254 N GLY A 85 86.839 -8.038 0.007 1.00 1.00 N ATOM 1255 CA GLY A 85 85.471 -8.201 0.567 1.00 1.00 C ATOM 1256 C GLY A 85 85.378 -9.568 1.238 1.00 1.00 C ATOM 1257 O GLY A 85 85.546 -10.595 0.608 1.00 1.00 O ATOM 0 H GLY A 85 86.876 -7.832 -0.991 1.00 1.00 H new ATOM 0 HA2 GLY A 85 85.261 -7.411 1.288 1.00 1.00 H new ATOM 0 HA3 GLY A 85 84.726 -8.117 -0.224 1.00 1.00 H new ATOM 1261 N ILE A 86 85.125 -9.587 2.514 1.00 1.00 N ATOM 1262 CA ILE A 86 85.034 -10.885 3.246 1.00 1.00 C ATOM 1263 C ILE A 86 83.773 -10.896 4.115 1.00 1.00 C ATOM 1264 O ILE A 86 83.548 -11.801 4.893 1.00 1.00 O ATOM 1265 CB ILE A 86 86.284 -11.044 4.121 1.00 1.00 C ATOM 1266 CG1 ILE A 86 87.493 -11.340 3.231 1.00 1.00 C ATOM 1267 CG2 ILE A 86 86.079 -12.201 5.101 1.00 1.00 C ATOM 1268 CD1 ILE A 86 88.780 -11.116 4.027 1.00 1.00 C ATOM 0 H ILE A 86 84.976 -8.757 3.088 1.00 1.00 H new ATOM 0 HA ILE A 86 84.977 -11.713 2.539 1.00 1.00 H new ATOM 0 HB ILE A 86 86.457 -10.123 4.678 1.00 1.00 H new ATOM 0 HG12 ILE A 86 87.450 -12.368 2.871 1.00 1.00 H new ATOM 0 HG13 ILE A 86 87.479 -10.694 2.353 1.00 1.00 H new ATOM 0 HG21 ILE A 86 86.968 -12.313 5.722 1.00 1.00 H new ATOM 0 HG22 ILE A 86 85.217 -11.993 5.735 1.00 1.00 H new ATOM 0 HG23 ILE A 86 85.906 -13.122 4.545 1.00 1.00 H new ATOM 0 HD11 ILE A 86 89.641 -11.327 3.393 1.00 1.00 H new ATOM 0 HD12 ILE A 86 88.823 -10.081 4.365 1.00 1.00 H new ATOM 0 HD13 ILE A 86 88.794 -11.781 4.891 1.00 1.00 H new ATOM 1280 N CYS A 87 82.943 -9.899 3.983 1.00 1.00 N ATOM 1281 CA CYS A 87 81.696 -9.858 4.796 1.00 1.00 C ATOM 1282 C CYS A 87 80.912 -11.156 4.590 1.00 1.00 C ATOM 1283 CB CYS A 87 80.840 -8.668 4.357 1.00 1.00 C ATOM 1284 SG CYS A 87 79.150 -8.882 4.968 1.00 1.00 S ATOM 0 H CYS A 87 83.074 -9.112 3.348 1.00 1.00 H new ATOM 0 HA CYS A 87 81.951 -9.751 5.850 1.00 1.00 H new ATOM 0 HB2 CYS A 87 81.263 -7.740 4.743 1.00 1.00 H new ATOM 0 HB3 CYS A 87 80.838 -8.589 3.270 1.00 1.00 H new TER 1289 CYS A 87 HETATM 1290 C1C RCY A 110 64.267 -2.755 10.818 1.00 1.00 C HETATM 1291 O1G RCY A 110 61.894 -3.240 15.753 1.00 1.00 O HETATM 1292 O1H RCY A 110 65.325 -4.531 12.775 1.00 1.00 O HETATM 1293 O1J RCY A 110 63.973 0.200 10.315 1.00 1.00 O HETATM 1294 C1L RCY A 110 63.468 -5.114 15.722 1.00 1.00 C HETATM 1295 C1M RCY A 110 62.969 -1.011 13.813 1.00 1.00 C HETATM 1296 C1P RCY A 110 62.800 -3.844 15.179 1.00 1.00 C HETATM 1297 C1Q RCY A 110 64.372 -4.559 13.553 1.00 1.00 C HETATM 1298 N1R RCY A 110 63.399 -3.422 13.839 1.00 1.00 N HETATM 1299 C1S RCY A 110 63.948 -5.739 14.408 1.00 1.00 C HETATM 1300 C1U RCY A 110 63.105 -2.181 12.993 1.00 1.00 C HETATM 1301 C1V RCY A 110 65.596 -1.799 12.753 1.00 1.00 C HETATM 1302 N1V RCY A 110 63.832 -0.425 11.627 1.00 1.00 N HETATM 1303 C1W RCY A 110 63.237 0.187 12.894 1.00 1.00 C HETATM 1304 C1X RCY A 110 64.245 -1.831 12.038 1.00 1.00 C HETATM 1305 C1Y RCY A 110 64.235 1.151 13.543 1.00 1.00 C HETATM 1306 C1Z RCY A 110 61.940 0.914 12.537 1.00 1.00 C HETATM 0 H1ZB RCY A 110 61.267 0.227 12.024 1.00 1.00 H new HETATM 0 H1ZA RCY A 110 61.463 1.276 13.448 1.00 1.00 H new HETATM 0 H1YB RCY A 110 63.829 1.514 14.487 1.00 1.00 H new HETATM 0 H1YA RCY A 110 65.175 0.631 13.729 1.00 1.00 H new HETATM 0 H1VB RCY A 110 65.853 -2.803 13.090 1.00 1.00 H new HETATM 0 H1VA RCY A 110 66.363 -1.439 12.067 1.00 1.00 H new HETATM 0 H1MA RCY A 110 61.971 -0.953 14.247 1.00 1.00 H new HETATM 0 H1LA RCY A 110 64.289 -4.895 16.404 1.00 1.00 H new HETATM 0 H1CB RCY A 110 64.399 -3.786 11.145 1.00 1.00 H new HETATM 0 H1CA RCY A 110 63.326 -2.664 10.276 1.00 1.00 H new HETATM 0 H1Z RCY A 110 62.164 1.758 11.885 1.00 1.00 H new HETATM 0 H1Y RCY A 110 64.412 1.995 12.876 1.00 1.00 H new HETATM 0 H1V RCY A 110 65.537 -1.132 13.613 1.00 1.00 H new HETATM 0 H1U RCY A 110 62.192 -2.434 12.453 1.00 1.00 H new HETATM 0 H1S RCY A 110 63.154 -6.311 13.928 1.00 1.00 H new HETATM 0 H1M RCY A 110 63.676 -1.032 14.642 1.00 1.00 H new HETATM 0 H1L RCY A 110 62.770 -5.756 16.259 1.00 1.00 H new HETATM 0 H1C RCY A 110 65.092 -2.474 10.163 1.00 1.00 H new HETATM 1309 C1C RCY A 121 62.321 -2.031 -3.630 1.00 1.00 C HETATM 1310 O1G RCY A 121 60.697 -3.876 -4.402 1.00 1.00 O HETATM 1311 O1H RCY A 121 64.745 -5.519 -6.195 1.00 1.00 O HETATM 1312 O1J RCY A 121 65.170 -2.482 -2.765 1.00 1.00 O HETATM 1313 C1L RCY A 121 61.660 -6.118 -4.585 1.00 1.00 C HETATM 1314 C1M RCY A 121 64.526 -2.624 -6.542 1.00 1.00 C HETATM 1315 C1P RCY A 121 61.610 -4.600 -4.796 1.00 1.00 C HETATM 1316 C1Q RCY A 121 63.560 -5.396 -5.888 1.00 1.00 C HETATM 1317 N1R RCY A 121 62.836 -4.097 -5.557 1.00 1.00 N HETATM 1318 C1S RCY A 121 62.546 -6.519 -5.770 1.00 1.00 C HETATM 1319 C1U RCY A 121 63.242 -2.663 -5.902 1.00 1.00 C HETATM 1320 C1V RCY A 121 63.534 -0.303 -5.034 1.00 1.00 C HETATM 1321 N1V RCY A 121 64.755 -2.304 -4.153 1.00 1.00 N HETATM 1322 C1W RCY A 121 65.565 -2.597 -5.415 1.00 1.00 C HETATM 1323 C1X RCY A 121 63.420 -1.783 -4.666 1.00 1.00 C HETATM 1324 C1Y RCY A 121 66.596 -1.492 -5.659 1.00 1.00 C HETATM 1325 C1Z RCY A 121 66.255 -3.953 -5.262 1.00 1.00 C HETATM 0 H1ZB RCY A 121 65.512 -4.715 -5.029 1.00 1.00 H new HETATM 0 H1ZA RCY A 121 66.760 -4.211 -6.193 1.00 1.00 H new HETATM 0 H1YB RCY A 121 67.106 -1.673 -6.605 1.00 1.00 H new HETATM 0 H1YA RCY A 121 66.092 -0.526 -5.697 1.00 1.00 H new HETATM 0 H1MA RCY A 121 64.669 -3.495 -7.182 1.00 1.00 H new HETATM 0 H1LA RCY A 121 62.098 -6.392 -3.625 1.00 1.00 H new HETATM 0 H1CB RCY A 121 61.349 -1.810 -4.071 1.00 1.00 H new HETATM 0 H1CA RCY A 121 62.347 -3.074 -3.314 1.00 1.00 H new HETATM 0 H1Z RCY A 121 66.986 -3.900 -4.455 1.00 1.00 H new HETATM 0 H1Y RCY A 121 67.325 -1.489 -4.848 1.00 1.00 H new HETATM 0 H1V RCY A 121 64.326 -0.171 -5.772 1.00 1.00 H new HETATM 0 H1U RCY A 121 62.435 -2.301 -6.539 1.00 1.00 H new HETATM 0 H1S RCY A 121 61.962 -6.623 -6.684 1.00 1.00 H new HETATM 0 H1M RCY A 121 64.618 -1.743 -7.177 1.00 1.00 H new HETATM 0 H1L RCY A 121 60.673 -6.578 -4.628 1.00 1.00 H new HETATM 0 H1C RCY A 121 62.483 -1.386 -2.766 1.00 1.00 H new HETATM 1328 C1C RCY A 130 79.084 14.838 -6.934 1.00 1.00 C HETATM 1329 O1G RCY A 130 79.833 10.140 -7.259 1.00 1.00 O HETATM 1330 O1H RCY A 130 76.993 12.907 -9.824 1.00 1.00 O HETATM 1331 O1J RCY A 130 81.147 16.553 -8.303 1.00 1.00 O HETATM 1332 C1L RCY A 130 77.560 9.865 -8.123 1.00 1.00 C HETATM 1333 C1M RCY A 130 80.609 13.063 -9.801 1.00 1.00 C HETATM 1334 C1P RCY A 130 78.874 10.614 -7.867 1.00 1.00 C HETATM 1335 C1Q RCY A 130 77.416 12.118 -8.981 1.00 1.00 C HETATM 1336 N1R RCY A 130 78.845 12.021 -8.461 1.00 1.00 N HETATM 1337 C1S RCY A 130 76.604 11.055 -8.263 1.00 1.00 C HETATM 1338 C1U RCY A 130 79.956 13.070 -8.523 1.00 1.00 C HETATM 1339 C1V RCY A 130 78.260 14.768 -9.330 1.00 1.00 C HETATM 1340 N1V RCY A 130 80.659 15.281 -8.831 1.00 1.00 N HETATM 1341 C1W RCY A 130 81.267 14.441 -9.952 1.00 1.00 C HETATM 1342 C1X RCY A 130 79.432 14.498 -8.385 1.00 1.00 C HETATM 1343 C1Y RCY A 130 80.934 15.049 -11.317 1.00 1.00 C HETATM 1344 C1Z RCY A 130 82.780 14.359 -9.753 1.00 1.00 C HETATM 0 H1ZB RCY A 130 82.996 13.980 -8.754 1.00 1.00 H new HETATM 0 H1ZA RCY A 130 83.209 13.687 -10.496 1.00 1.00 H new HETATM 0 H1YB RCY A 130 81.301 14.394 -12.107 1.00 1.00 H new HETATM 0 H1YA RCY A 130 79.854 15.161 -11.412 1.00 1.00 H new HETATM 0 H1VB RCY A 130 77.405 14.160 -9.033 1.00 1.00 H new HETATM 0 H1VA RCY A 130 77.989 15.823 -9.282 1.00 1.00 H new HETATM 0 H1MA RCY A 130 81.353 12.268 -9.854 1.00 1.00 H new HETATM 0 H1CB RCY A 130 78.314 14.155 -6.575 1.00 1.00 H new HETATM 0 H1CA RCY A 130 79.975 14.739 -6.313 1.00 1.00 H new HETATM 0 H1Z RCY A 130 83.216 15.351 -9.866 1.00 1.00 H new HETATM 0 H1Y RCY A 130 81.409 16.026 -11.406 1.00 1.00 H new HETATM 0 H1V RCY A 130 78.549 14.514 -10.350 1.00 1.00 H new HETATM 0 H1U RCY A 130 80.621 12.806 -7.701 1.00 1.00 H new HETATM 0 H1S RCY A 130 76.264 11.407 -7.289 1.00 1.00 H new HETATM 0 H1M RCY A 130 79.893 12.883 -10.603 1.00 1.00 H new HETATM 0 H1L RCY A 130 77.288 9.205 -7.299 1.00 1.00 H new HETATM 0 H1C RCY A 130 78.715 15.862 -6.879 1.00 1.00 H new HETATM 1347 C1C RCY A 138 83.005 1.403 -5.580 1.00 1.00 C HETATM 1348 O1G RCY A 138 85.748 1.752 -1.134 1.00 1.00 O HETATM 1349 O1H RCY A 138 84.538 2.825 -5.571 1.00 1.00 O HETATM 1350 O1J RCY A 138 85.160 -0.263 -6.864 1.00 1.00 O HETATM 1351 C1L RCY A 138 86.325 3.604 -2.626 1.00 1.00 C HETATM 1352 C1M RCY A 138 84.710 -0.733 -3.085 1.00 1.00 C HETATM 1353 C1P RCY A 138 85.657 2.277 -2.242 1.00 1.00 C HETATM 1354 C1Q RCY A 138 85.181 2.665 -4.534 1.00 1.00 C HETATM 1355 N1R RCY A 138 84.862 1.690 -3.408 1.00 1.00 N HETATM 1356 C1S RCY A 138 86.445 3.408 -4.141 1.00 1.00 C HETATM 1357 C1U RCY A 138 83.974 0.445 -3.446 1.00 1.00 C HETATM 1358 C1V RCY A 138 82.340 -0.921 -4.816 1.00 1.00 C HETATM 1359 N1V RCY A 138 84.703 -0.436 -5.488 1.00 1.00 N HETATM 1360 C1W RCY A 138 85.381 -1.229 -4.372 1.00 1.00 C HETATM 1361 C1X RCY A 138 83.447 0.135 -4.846 1.00 1.00 C HETATM 1362 C1Y RCY A 138 85.141 -2.729 -4.560 1.00 1.00 C HETATM 1363 C1Z RCY A 138 86.877 -0.917 -4.374 1.00 1.00 C HETATM 0 H1ZB RCY A 138 87.024 0.160 -4.300 1.00 1.00 H new HETATM 0 H1ZA RCY A 138 87.352 -1.407 -3.524 1.00 1.00 H new HETATM 0 H1YB RCY A 138 85.557 -3.273 -3.712 1.00 1.00 H new HETATM 0 H1VB RCY A 138 81.466 -0.518 -4.305 1.00 1.00 H new HETATM 0 H1VA RCY A 138 82.070 -1.194 -5.836 1.00 1.00 H new HETATM 0 H1MA RCY A 138 85.453 -0.508 -2.320 1.00 1.00 H new HETATM 0 H1LA RCY A 138 85.716 4.469 -2.364 1.00 1.00 H new HETATM 0 H1CB RCY A 138 82.211 1.892 -5.016 1.00 1.00 H new HETATM 0 H1CA RCY A 138 83.852 2.082 -5.676 1.00 1.00 H new HETATM 0 H1Z RCY A 138 87.323 -1.281 -5.299 1.00 1.00 H new HETATM 0 H1V RCY A 138 82.695 -1.805 -4.286 1.00 1.00 H new HETATM 0 H1U RCY A 138 83.164 0.672 -2.753 1.00 1.00 H new HETATM 0 H1M RCY A 138 84.048 -1.495 -2.673 1.00 1.00 H new HETATM 0 H1L RCY A 138 87.294 3.738 -2.144 1.00 1.00 H new HETATM 1366 C1C RCY A 150 79.044 6.384 3.434 1.00 1.00 C HETATM 1367 O1G RCY A 150 81.120 8.469 4.568 1.00 1.00 O HETATM 1368 O1H RCY A 150 80.152 6.379 8.690 1.00 1.00 O HETATM 1369 O1J RCY A 150 78.269 3.484 3.193 1.00 1.00 O HETATM 1370 C1L RCY A 150 81.102 9.260 6.883 1.00 1.00 C HETATM 1371 C1M RCY A 150 80.003 4.487 6.463 1.00 1.00 C HETATM 1372 C1P RCY A 150 80.907 8.238 5.757 1.00 1.00 C HETATM 1373 C1Q RCY A 150 80.217 7.199 7.775 1.00 1.00 C HETATM 1374 N1R RCY A 150 80.415 6.895 6.295 1.00 1.00 N HETATM 1375 C1S RCY A 150 80.113 8.706 7.915 1.00 1.00 C HETATM 1376 C1U RCY A 150 80.179 5.580 5.550 1.00 1.00 C HETATM 1377 C1V RCY A 150 77.693 6.065 5.556 1.00 1.00 C HETATM 1378 N1V RCY A 150 78.757 4.101 4.423 1.00 1.00 N HETATM 1379 C1W RCY A 150 79.248 3.400 5.689 1.00 1.00 C HETATM 1380 C1X RCY A 150 78.889 5.586 4.731 1.00 1.00 C HETATM 1381 C1Y RCY A 150 78.062 2.881 6.507 1.00 1.00 C HETATM 1382 C1Z RCY A 150 80.176 2.251 5.296 1.00 1.00 C HETATM 0 H1ZB RCY A 150 80.979 2.631 4.664 1.00 1.00 H new HETATM 0 H1ZA RCY A 150 80.602 1.804 6.194 1.00 1.00 H new HETATM 0 H1YB RCY A 150 78.424 2.460 7.445 1.00 1.00 H new HETATM 0 H1YA RCY A 150 77.378 3.703 6.718 1.00 1.00 H new HETATM 0 H1VB RCY A 150 77.827 7.115 5.816 1.00 1.00 H new HETATM 0 H1VA RCY A 150 76.779 5.949 4.973 1.00 1.00 H new HETATM 0 H1MA RCY A 150 80.965 4.116 6.816 1.00 1.00 H new HETATM 0 H1LA RCY A 150 82.126 9.280 7.255 1.00 1.00 H new HETATM 0 H1CB RCY A 150 79.304 7.416 3.670 1.00 1.00 H new HETATM 0 H1CA RCY A 150 79.833 5.941 2.826 1.00 1.00 H new HETATM 0 H1Z RCY A 150 79.610 1.497 4.749 1.00 1.00 H new HETATM 0 H1Y RCY A 150 77.539 2.110 5.941 1.00 1.00 H new HETATM 0 H1V RCY A 150 77.619 5.472 6.468 1.00 1.00 H new HETATM 0 H1U RCY A 150 81.058 5.470 4.915 1.00 1.00 H new HETATM 0 H1S RCY A 150 79.099 9.053 7.718 1.00 1.00 H new HETATM 0 H1M RCY A 150 79.440 4.801 7.342 1.00 1.00 H new HETATM 0 H1L RCY A 150 80.856 10.275 6.572 1.00 1.00 H new HETATM 0 H1C RCY A 150 78.105 6.364 2.880 1.00 1.00 H new HETATM 1385 C1C RCY A 160 74.518 9.230 2.749 1.00 1.00 C HETATM 1386 O1G RCY A 160 75.245 9.766 -2.402 1.00 1.00 O HETATM 1387 O1H RCY A 160 73.261 10.617 1.798 1.00 1.00 O HETATM 1388 O1J RCY A 160 72.092 7.497 2.324 1.00 1.00 O HETATM 1389 C1L RCY A 160 73.771 11.535 -1.574 1.00 1.00 C HETATM 1390 C1M RCY A 160 74.854 7.187 -0.318 1.00 1.00 C HETATM 1391 C1P RCY A 160 74.579 10.235 -1.480 1.00 1.00 C HETATM 1392 C1Q RCY A 160 73.446 10.507 0.587 1.00 1.00 C HETATM 1393 N1R RCY A 160 74.454 9.593 -0.099 1.00 1.00 N HETATM 1394 C1S RCY A 160 72.708 11.260 -0.504 1.00 1.00 C HETATM 1395 C1U RCY A 160 75.156 8.354 0.461 1.00 1.00 C HETATM 1396 C1V RCY A 160 75.590 6.944 2.519 1.00 1.00 C HETATM 1397 N1V RCY A 160 73.324 7.385 1.548 1.00 1.00 N HETATM 1398 C1W RCY A 160 73.535 6.634 0.235 1.00 1.00 C HETATM 1399 C1X RCY A 160 74.683 7.991 1.868 1.00 1.00 C HETATM 1400 C1Y RCY A 160 73.647 5.128 0.491 1.00 1.00 C HETATM 1401 C1Z RCY A 160 72.368 6.934 -0.706 1.00 1.00 C HETATM 0 H1ZB RCY A 160 72.267 8.012 -0.828 1.00 1.00 H new HETATM 0 H1ZA RCY A 160 72.556 6.475 -1.677 1.00 1.00 H new HETATM 0 H1YB RCY A 160 73.880 4.617 -0.443 1.00 1.00 H new HETATM 0 H1YA RCY A 160 74.440 4.940 1.215 1.00 1.00 H new HETATM 0 H1VB RCY A 160 76.577 7.374 2.691 1.00 1.00 H new HETATM 0 H1VA RCY A 160 75.160 6.631 3.470 1.00 1.00 H new HETATM 0 H1MA RCY A 160 74.759 7.438 -1.374 1.00 1.00 H new HETATM 0 H1LA RCY A 160 74.371 12.417 -1.349 1.00 1.00 H new HETATM 0 H1CB RCY A 160 75.474 9.747 2.832 1.00 1.00 H new HETATM 0 H1CA RCY A 160 73.782 9.898 2.303 1.00 1.00 H new HETATM 0 H1Z RCY A 160 71.448 6.529 -0.285 1.00 1.00 H new HETATM 0 H1Y RCY A 160 72.701 4.754 0.883 1.00 1.00 H new HETATM 0 H1V RCY A 160 75.680 6.080 1.860 1.00 1.00 H new HETATM 0 H1U RCY A 160 76.214 8.615 0.448 1.00 1.00 H new HETATM 0 H1S RCY A 160 71.885 10.669 -0.906 1.00 1.00 H new HETATM 0 H1M RCY A 160 75.651 6.448 -0.237 1.00 1.00 H new HETATM 0 H1L RCY A 160 73.338 11.687 -2.563 1.00 1.00 H new HETATM 0 H1C RCY A 160 74.181 8.929 3.741 1.00 1.00 H new HETATM 1404 C1C RCY A 168 68.280 3.662 0.541 1.00 1.00 C HETATM 1405 O1G RCY A 168 72.653 1.892 0.625 1.00 1.00 O HETATM 1406 O1H RCY A 168 68.375 1.344 -1.299 1.00 1.00 O HETATM 1407 O1J RCY A 168 66.279 1.444 0.157 1.00 1.00 O HETATM 1408 C1L RCY A 168 71.886 1.474 -1.661 1.00 1.00 C HETATM 1409 C1M RCY A 168 69.336 0.586 2.307 1.00 1.00 C HETATM 1410 C1P RCY A 168 71.721 1.682 -0.150 1.00 1.00 C HETATM 1411 C1Q RCY A 168 69.569 1.213 -1.032 1.00 1.00 C HETATM 1412 N1R RCY A 168 70.255 1.594 0.273 1.00 1.00 N HETATM 1413 C1S RCY A 168 70.634 0.638 -1.949 1.00 1.00 C HETATM 1414 C1U RCY A 168 69.628 1.827 1.649 1.00 1.00 C HETATM 1415 C1V RCY A 168 67.806 3.014 2.946 1.00 1.00 C HETATM 1416 N1V RCY A 168 67.400 1.382 1.091 1.00 1.00 N HETATM 1417 C1W RCY A 168 67.955 0.150 1.802 1.00 1.00 C HETATM 1418 C1X RCY A 168 68.274 2.531 1.572 1.00 1.00 C HETATM 1419 C1Y RCY A 168 67.053 -0.244 2.975 1.00 1.00 C HETATM 1420 C1Z RCY A 168 68.067 -0.999 0.800 1.00 1.00 C HETATM 0 H1ZB RCY A 168 68.663 -0.680 -0.055 1.00 1.00 H new HETATM 0 H1ZA RCY A 168 68.546 -1.853 1.278 1.00 1.00 H new HETATM 0 H1YB RCY A 168 67.507 -1.071 3.521 1.00 1.00 H new HETATM 0 H1YA RCY A 168 66.932 0.609 3.643 1.00 1.00 H new HETATM 0 H1VB RCY A 168 68.474 3.798 3.303 1.00 1.00 H new HETATM 0 H1VA RCY A 168 66.793 3.409 2.867 1.00 1.00 H new HETATM 0 H1MA RCY A 168 70.091 -0.165 2.074 1.00 1.00 H new HETATM 0 H1CB RCY A 168 69.034 4.400 0.815 1.00 1.00 H new HETATM 0 H1CA RCY A 168 68.511 3.255 -0.444 1.00 1.00 H new HETATM 0 H1Z RCY A 168 67.071 -1.285 0.461 1.00 1.00 H new HETATM 0 H1Y RCY A 168 66.078 -0.550 2.597 1.00 1.00 H new HETATM 0 H1V RCY A 168 67.817 2.180 3.648 1.00 1.00 H new HETATM 0 H1U RCY A 168 70.364 2.430 2.181 1.00 1.00 H new HETATM 0 H1S RCY A 168 70.807 -0.418 -1.742 1.00 1.00 H new HETATM 0 H1M RCY A 168 69.333 0.710 3.390 1.00 1.00 H new HETATM 0 H1L RCY A 168 72.807 0.947 -1.912 1.00 1.00 H new HETATM 0 H1C RCY A 168 67.299 4.137 0.517 1.00 1.00 H new HETATM 1423 C1C RCY A 173 75.880 0.545 -1.744 1.00 1.00 C HETATM 1424 O1G RCY A 173 72.328 1.284 -5.432 1.00 1.00 O HETATM 1425 O1H RCY A 173 76.927 0.425 -4.784 1.00 1.00 O HETATM 1426 O1J RCY A 173 74.546 2.189 0.397 1.00 1.00 O HETATM 1427 C1L RCY A 173 73.999 0.045 -6.722 1.00 1.00 C HETATM 1428 C1M RCY A 173 73.361 2.836 -3.192 1.00 1.00 C HETATM 1429 C1P RCY A 173 73.496 0.922 -5.567 1.00 1.00 C HETATM 1430 C1Q RCY A 173 75.842 0.690 -5.302 1.00 1.00 C HETATM 1431 N1R RCY A 173 74.626 1.290 -4.607 1.00 1.00 N HETATM 1432 C1S RCY A 173 75.469 0.476 -6.757 1.00 1.00 C HETATM 1433 C1U RCY A 173 74.564 2.061 -3.287 1.00 1.00 C HETATM 1434 C1V RCY A 173 73.436 0.063 -2.216 1.00 1.00 C HETATM 1435 N1V RCY A 173 74.105 2.145 -0.994 1.00 1.00 N HETATM 1436 C1W RCY A 173 73.135 3.093 -1.697 1.00 1.00 C HETATM 1437 C1X RCY A 173 74.509 1.143 -2.067 1.00 1.00 C HETATM 1438 C1Y RCY A 173 71.690 2.767 -1.307 1.00 1.00 C HETATM 1439 C1Z RCY A 173 73.482 4.533 -1.321 1.00 1.00 C HETATM 0 H1ZB RCY A 173 74.530 4.727 -1.551 1.00 1.00 H new HETATM 0 H1ZA RCY A 173 72.853 5.219 -1.889 1.00 1.00 H new HETATM 0 H1YB RCY A 173 71.008 3.395 -1.880 1.00 1.00 H new HETATM 0 H1VB RCY A 173 73.711 -0.614 -3.024 1.00 1.00 H new HETATM 0 H1VA RCY A 173 73.353 -0.498 -1.285 1.00 1.00 H new HETATM 0 H1MA RCY A 173 73.458 3.774 -3.738 1.00 1.00 H new HETATM 0 H1CB RCY A 173 76.232 -0.038 -2.595 1.00 1.00 H new HETATM 0 H1CA RCY A 173 76.587 1.348 -1.536 1.00 1.00 H new HETATM 0 H1Z RCY A 173 73.311 4.682 -0.255 1.00 1.00 H new HETATM 0 H1V RCY A 173 72.478 0.531 -2.445 1.00 1.00 H new HETATM 0 H1U RCY A 173 75.467 2.672 -3.289 1.00 1.00 H new HETATM 0 H1S RCY A 173 75.600 1.389 -7.338 1.00 1.00 H new HETATM 0 H1M RCY A 173 72.517 2.300 -3.627 1.00 1.00 H new HETATM 0 H1C RCY A 173 75.798 -0.102 -0.870 1.00 1.00 H new HETATM 1442 C1C RCY A 176 75.665 -5.966 0.229 1.00 1.00 C HETATM 1443 O1G RCY A 176 76.031 -7.383 -2.915 1.00 1.00 O HETATM 1444 O1H RCY A 176 78.324 -3.256 -3.017 1.00 1.00 O HETATM 1445 O1J RCY A 176 72.980 -4.737 0.825 1.00 1.00 O HETATM 1446 C1L RCY A 176 78.118 -6.652 -3.962 1.00 1.00 C HETATM 1447 C1M RCY A 176 74.533 -3.809 -2.557 1.00 1.00 C HETATM 1448 C1P RCY A 176 76.826 -6.476 -3.154 1.00 1.00 C HETATM 1449 C1Q RCY A 176 77.833 -4.336 -3.343 1.00 1.00 C HETATM 1450 N1R RCY A 176 76.650 -5.033 -2.684 1.00 1.00 N HETATM 1451 C1S RCY A 176 78.299 -5.223 -4.484 1.00 1.00 C HETATM 1452 C1U RCY A 176 75.568 -4.432 -1.784 1.00 1.00 C HETATM 1453 C1V RCY A 176 74.350 -6.652 -1.828 1.00 1.00 C HETATM 1454 N1V RCY A 176 73.642 -4.667 -0.475 1.00 1.00 N HETATM 1455 C1W RCY A 176 73.297 -3.755 -1.650 1.00 1.00 C HETATM 1456 C1X RCY A 176 74.830 -5.486 -0.960 1.00 1.00 C HETATM 1457 C1Y RCY A 176 72.063 -4.279 -2.391 1.00 1.00 C HETATM 1458 C1Z RCY A 176 73.051 -2.338 -1.130 1.00 1.00 C HETATM 0 H1ZB RCY A 176 73.916 -2.005 -0.557 1.00 1.00 H new HETATM 0 H1ZA RCY A 176 72.893 -1.664 -1.972 1.00 1.00 H new HETATM 0 H1VB RCY A 176 75.211 -7.197 -2.214 1.00 1.00 H new HETATM 0 H1VA RCY A 176 73.735 -7.323 -1.228 1.00 1.00 H new HETATM 0 H1MA RCY A 176 74.830 -2.808 -2.871 1.00 1.00 H new HETATM 0 H1LA RCY A 176 78.955 -6.980 -3.345 1.00 1.00 H new HETATM 0 H1Z RCY A 176 72.168 -2.333 -0.490 1.00 1.00 H new HETATM 0 H1V RCY A 176 73.761 -6.267 -2.661 1.00 1.00 H new HETATM 0 H1U RCY A 176 76.107 -3.730 -1.148 1.00 1.00 H new HETATM 0 H1S RCY A 176 77.709 -5.052 -5.385 1.00 1.00 H new HETATM 0 H1M RCY A 176 74.327 -4.379 -3.463 1.00 1.00 H new HETATM 0 H1L RCY A 176 78.011 -7.380 -4.767 1.00 1.00 H new HETATM 1461 C1C RCY A 187 78.141 -2.993 2.155 1.00 1.00 C HETATM 1462 O1G RCY A 187 79.146 -3.920 3.634 1.00 1.00 O HETATM 1463 O1H RCY A 187 77.165 -8.133 2.844 1.00 1.00 O HETATM 1464 O1J RCY A 187 79.544 -4.173 -0.234 1.00 1.00 O HETATM 1465 C1L RCY A 187 79.612 -6.173 4.468 1.00 1.00 C HETATM 1466 C1M RCY A 187 76.334 -5.956 0.872 1.00 1.00 C HETATM 1467 C1P RCY A 187 78.846 -5.112 3.667 1.00 1.00 C HETATM 1468 C1Q RCY A 187 77.691 -7.167 3.394 1.00 1.00 C HETATM 1469 N1R RCY A 187 77.664 -5.721 2.915 1.00 1.00 N HETATM 1470 C1S RCY A 187 78.493 -7.198 4.683 1.00 1.00 C HETATM 1471 C1U RCY A 187 76.695 -5.059 1.932 1.00 1.00 C HETATM 1472 C1V RCY A 187 76.254 -3.045 0.463 1.00 1.00 C HETATM 1473 N1V RCY A 187 78.218 -4.581 0.220 1.00 1.00 N HETATM 1474 C1W RCY A 187 77.431 -5.824 -0.192 1.00 1.00 C HETATM 1475 C1X RCY A 187 77.311 -3.862 1.209 1.00 1.00 C HETATM 1476 C1Y RCY A 187 76.815 -5.632 -1.580 1.00 1.00 C HETATM 1477 C1Z RCY A 187 78.365 -7.034 -0.179 1.00 1.00 C HETATM 0 H1ZB RCY A 187 78.839 -7.117 0.799 1.00 1.00 H new HETATM 0 H1ZA RCY A 187 77.792 -7.938 -0.383 1.00 1.00 H new HETATM 0 H1VB RCY A 187 75.578 -2.582 1.182 1.00 1.00 H new HETATM 0 H1VA RCY A 187 76.743 -2.270 -0.127 1.00 1.00 H new HETATM 0 H1LA RCY A 187 80.455 -6.586 3.914 1.00 1.00 H new HETATM 0 H1CB RCY A 187 77.505 -2.618 2.957 1.00 1.00 H new HETATM 0 H1CA RCY A 187 78.949 -3.588 2.581 1.00 1.00 H new HETATM 0 H1Z RCY A 187 79.131 -6.910 -0.944 1.00 1.00 H new HETATM 0 H1V RCY A 187 75.687 -3.701 -0.198 1.00 1.00 H new HETATM 0 H1U RCY A 187 75.846 -4.762 2.548 1.00 1.00 H new HETATM 0 H1S RCY A 187 77.874 -6.935 5.541 1.00 1.00 H new HETATM 0 H1L RCY A 187 80.007 -5.783 5.406 1.00 1.00 H new HETATM 0 H1C RCY A 187 78.562 -2.153 1.602 1.00 1.00 H new