USER MOD reduce.3.24.130724 H: found=0, std=0, add=603, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 603 hydrogens (0 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 Set 1.1: A 53 THR OG1 : rot -150:sc= 0.235 USER MOD Set 1.2: A 70 THR OG1 : rot -39:sc= 1.02 USER MOD Set 2.1: A 49 THR OG1 : rot 58:sc= -1.51! USER MOD Set 2.2: A 66 THR OG1 : rot -57:sc= 0.916 USER MOD Set 3.1: A 12 SER OG : rot 146:sc= -1.94! USER MOD Set 3.2: A 14 ASN :FLIP amide:sc= -1.23! F(o=-5.5,f=-3.2!) USER MOD Set 4.1: A 6 ASN : amide:sc= -21.3! C(o=-24!,f=-34!) USER MOD Set 4.2: A 7 THR OG1 : rot -122:sc= -2.49! USER MOD Single : A 1 ASP N :NH3+ 176:sc= 1.09 (180deg=0.992) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 3:sc= 0.446 USER MOD Single : A 8 ASN :FLIP amide:sc= -7.85! C(o=-10!,f=-7.9!) USER MOD Single : A 9 SER OG : rot -23:sc= -0.55! USER MOD Single : A 10 GLN :FLIP amide:sc= -0.134 F(o=-0.74,f=-0.13) USER MOD Single : A 15 SER OG : rot 88:sc= -1.71! USER MOD Single : A 16 LYS NZ :NH3+ 173:sc= 0.494 (180deg=0.465) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot -96:sc= -0.631 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 33:sc= 0.627 USER MOD Single : A 24 ASN : amide:sc= -1.8 K(o=-1.8,f=-8.2!) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.00105) USER MOD Single : A 30 SER OG : rot 12:sc= -5.61! USER MOD Single : A 33 TYR OH : rot 165:sc= 0 USER MOD Single : A 35 THR OG1 : rot -61:sc= -1.25 USER MOD Single : A 36 THR OG1 : rot -160:sc= 0 USER MOD Single : A 38 THR OG1 : rot 55:sc= 1.12 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot -23:sc= 0.124 USER MOD Single : A 48 THR OG1 : rot 139:sc= -2.31! USER MOD Single : A 50 SER OG : rot -92:sc= -2.55! USER MOD Single : A 51 THR OG1 : rot -150:sc= -0.128 USER MOD Single : A 52 SER OG : rot 44:sc= 0.204 USER MOD Single : A 55 SER OG : rot 26:sc= 0.236 USER MOD Single : A 58 SER OG : rot 180:sc= -2.21 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -48:sc= 1.03 USER MOD Single : A 77 SER OG : rot -20:sc= 0.18 USER MOD Single : A 81 LYS NZ :NH3+ -135:sc= 0.447 (180deg=-1.07) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot -43:sc= -0.296! USER MOD Single : A 90 ASN : amide:sc= -0.477 K(o=-0.48,f=-9.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 47.296 9.190 5.015 1.00 0.00 N ATOM 2 CA ASP A 1 47.158 8.122 3.979 1.00 0.00 C ATOM 3 C ASP A 1 45.828 7.382 4.153 1.00 0.00 C ATOM 4 O ASP A 1 44.919 7.866 4.798 1.00 0.00 O ATOM 5 CB ASP A 1 48.334 7.172 4.220 1.00 0.00 C ATOM 6 CG ASP A 1 48.188 6.525 5.598 1.00 0.00 C ATOM 7 OD1 ASP A 1 47.543 7.120 6.444 1.00 0.00 O ATOM 8 OD2 ASP A 1 48.724 5.444 5.783 1.00 0.00 O ATOM 0 H1 ASP A 1 48.230 9.639 4.929 1.00 0.00 H new ATOM 0 H2 ASP A 1 46.554 9.906 4.877 1.00 0.00 H new ATOM 0 H3 ASP A 1 47.200 8.770 5.962 1.00 0.00 H new ATOM 0 HA ASP A 1 47.166 8.530 2.968 1.00 0.00 H new ATOM 0 HB2 ASP A 1 48.361 6.405 3.446 1.00 0.00 H new ATOM 0 HB3 ASP A 1 49.275 7.718 4.160 1.00 0.00 H new ATOM 15 N GLY A 2 45.707 6.214 3.583 1.00 0.00 N ATOM 16 CA GLY A 2 44.435 5.447 3.719 1.00 0.00 C ATOM 17 C GLY A 2 44.301 4.462 2.555 1.00 0.00 C ATOM 18 O GLY A 2 44.326 3.261 2.739 1.00 0.00 O ATOM 0 H GLY A 2 46.432 5.758 3.030 1.00 0.00 H new ATOM 0 HA2 GLY A 2 44.423 4.909 4.667 1.00 0.00 H new ATOM 0 HA3 GLY A 2 43.586 6.131 3.730 1.00 0.00 H new ATOM 22 N SER A 3 44.155 4.959 1.357 1.00 0.00 N ATOM 23 CA SER A 3 44.017 4.050 0.182 1.00 0.00 C ATOM 24 C SER A 3 45.091 4.368 -0.862 1.00 0.00 C ATOM 25 O SER A 3 45.219 5.489 -1.312 1.00 0.00 O ATOM 26 CB SER A 3 42.625 4.342 -0.378 1.00 0.00 C ATOM 27 OG SER A 3 41.661 3.577 0.332 1.00 0.00 O ATOM 0 H SER A 3 44.125 5.955 1.140 1.00 0.00 H new ATOM 0 HA SER A 3 44.138 3.001 0.453 1.00 0.00 H new ATOM 0 HB2 SER A 3 42.400 5.405 -0.288 1.00 0.00 H new ATOM 0 HB3 SER A 3 42.589 4.098 -1.440 1.00 0.00 H new ATOM 0 HG SER A 3 40.768 3.764 -0.025 1.00 0.00 H new ATOM 33 N CYS A 4 45.865 3.392 -1.252 1.00 0.00 N ATOM 34 CA CYS A 4 46.927 3.648 -2.268 1.00 0.00 C ATOM 35 C CYS A 4 47.390 2.333 -2.901 1.00 0.00 C ATOM 36 O CYS A 4 46.680 1.347 -2.899 1.00 0.00 O ATOM 37 CB CYS A 4 48.069 4.305 -1.493 1.00 0.00 C ATOM 38 SG CYS A 4 48.481 5.896 -2.255 1.00 0.00 S ATOM 0 H CYS A 4 45.809 2.432 -0.913 1.00 0.00 H new ATOM 0 HA CYS A 4 46.572 4.279 -3.082 1.00 0.00 H new ATOM 0 HB2 CYS A 4 47.779 4.452 -0.453 1.00 0.00 H new ATOM 0 HB3 CYS A 4 48.943 3.654 -1.491 1.00 0.00 H new ATOM 43 N THR A 5 48.580 2.315 -3.444 1.00 0.00 N ATOM 44 CA THR A 5 49.105 1.085 -4.087 1.00 0.00 C ATOM 45 C THR A 5 50.579 1.326 -4.418 1.00 0.00 C ATOM 46 O THR A 5 51.084 0.892 -5.432 1.00 0.00 O ATOM 47 CB THR A 5 48.265 0.928 -5.365 1.00 0.00 C ATOM 48 OG1 THR A 5 46.963 0.477 -5.020 1.00 0.00 O ATOM 49 CG2 THR A 5 48.914 -0.085 -6.308 1.00 0.00 C ATOM 0 H THR A 5 49.214 3.113 -3.467 1.00 0.00 H new ATOM 0 HA THR A 5 49.041 0.191 -3.466 1.00 0.00 H new ATOM 0 HB THR A 5 48.205 1.893 -5.868 1.00 0.00 H new ATOM 0 HG1 THR A 5 46.886 0.413 -4.045 1.00 0.00 H new ATOM 0 HG21 THR A 5 48.307 -0.185 -7.208 1.00 0.00 H new ATOM 0 HG22 THR A 5 49.912 0.258 -6.580 1.00 0.00 H new ATOM 0 HG23 THR A 5 48.986 -1.052 -5.810 1.00 0.00 H new ATOM 57 N ASN A 6 51.264 2.057 -3.576 1.00 0.00 N ATOM 58 CA ASN A 6 52.692 2.365 -3.858 1.00 0.00 C ATOM 59 C ASN A 6 52.759 3.029 -5.234 1.00 0.00 C ATOM 60 O ASN A 6 52.668 4.235 -5.361 1.00 0.00 O ATOM 61 CB ASN A 6 53.403 1.007 -3.866 1.00 0.00 C ATOM 62 CG ASN A 6 54.837 1.181 -4.367 1.00 0.00 C ATOM 63 OD1 ASN A 6 55.059 1.581 -5.493 1.00 0.00 O ATOM 64 ND2 ASN A 6 55.831 0.895 -3.569 1.00 0.00 N ATOM 0 H ASN A 6 50.895 2.451 -2.710 1.00 0.00 H new ATOM 0 HA ASN A 6 53.152 3.034 -3.131 1.00 0.00 H new ATOM 0 HB2 ASN A 6 53.407 0.581 -2.863 1.00 0.00 H new ATOM 0 HB3 ASN A 6 52.866 0.308 -4.507 1.00 0.00 H new ATOM 0 HD21 ASN A 6 56.792 1.007 -3.891 1.00 0.00 H new ATOM 0 HD22 ASN A 6 55.646 0.559 -2.624 1.00 0.00 H new ATOM 71 N THR A 7 52.880 2.244 -6.262 1.00 0.00 N ATOM 72 CA THR A 7 52.911 2.804 -7.639 1.00 0.00 C ATOM 73 C THR A 7 52.156 1.870 -8.596 1.00 0.00 C ATOM 74 O THR A 7 52.043 2.141 -9.774 1.00 0.00 O ATOM 75 CB THR A 7 54.394 2.874 -8.010 1.00 0.00 C ATOM 76 OG1 THR A 7 54.989 3.992 -7.366 1.00 0.00 O ATOM 77 CG2 THR A 7 54.542 3.018 -9.525 1.00 0.00 C ATOM 0 H THR A 7 52.960 1.229 -6.208 1.00 0.00 H new ATOM 0 HA THR A 7 52.435 3.783 -7.702 1.00 0.00 H new ATOM 0 HB THR A 7 54.891 1.959 -7.687 1.00 0.00 H new ATOM 0 HG1 THR A 7 55.383 4.586 -8.039 1.00 0.00 H new ATOM 0 HG21 THR A 7 55.600 3.067 -9.784 1.00 0.00 H new ATOM 0 HG22 THR A 7 54.087 2.159 -10.018 1.00 0.00 H new ATOM 0 HG23 THR A 7 54.045 3.930 -9.854 1.00 0.00 H new ATOM 85 N ASN A 8 51.637 0.770 -8.089 1.00 0.00 N ATOM 86 CA ASN A 8 50.894 -0.198 -8.957 1.00 0.00 C ATOM 87 C ASN A 8 50.534 -1.476 -8.178 1.00 0.00 C ATOM 88 O ASN A 8 49.686 -2.242 -8.592 1.00 0.00 O ATOM 89 CB ASN A 8 51.879 -0.572 -10.067 1.00 0.00 C ATOM 90 CG ASN A 8 53.019 -1.384 -9.456 1.00 0.00 C ATOM 91 OD1 ASN A 8 53.840 -0.802 -8.624 1.00 0.00 O flip ATOM 92 ND2 ASN A 8 53.157 -2.559 -9.732 1.00 0.00 N flip ATOM 0 H ASN A 8 51.699 0.504 -7.106 1.00 0.00 H new ATOM 0 HA ASN A 8 49.967 0.240 -9.326 1.00 0.00 H new ATOM 0 HB2 ASN A 8 51.375 -1.151 -10.840 1.00 0.00 H new ATOM 0 HB3 ASN A 8 52.269 0.327 -10.545 1.00 0.00 H new ATOM 0 HD21 ASN A 8 52.513 -3.009 -10.382 1.00 0.00 H new ATOM 0 HD22 ASN A 8 53.917 -3.095 -9.313 1.00 0.00 H new ATOM 99 N SER A 9 51.205 -1.742 -7.085 1.00 0.00 N ATOM 100 CA SER A 9 50.931 -3.003 -6.330 1.00 0.00 C ATOM 101 C SER A 9 49.804 -2.837 -5.301 1.00 0.00 C ATOM 102 O SER A 9 48.662 -2.616 -5.654 1.00 0.00 O ATOM 103 CB SER A 9 52.253 -3.326 -5.640 1.00 0.00 C ATOM 104 OG SER A 9 52.464 -2.410 -4.573 1.00 0.00 O ATOM 0 H SER A 9 51.927 -1.144 -6.684 1.00 0.00 H new ATOM 0 HA SER A 9 50.592 -3.798 -6.994 1.00 0.00 H new ATOM 0 HB2 SER A 9 52.238 -4.347 -5.260 1.00 0.00 H new ATOM 0 HB3 SER A 9 53.074 -3.264 -6.355 1.00 0.00 H new ATOM 0 HG SER A 9 51.950 -1.592 -4.737 1.00 0.00 H new ATOM 110 N GLN A 10 50.103 -2.975 -4.033 1.00 0.00 N ATOM 111 CA GLN A 10 49.035 -2.863 -3.004 1.00 0.00 C ATOM 112 C GLN A 10 49.423 -1.865 -1.906 1.00 0.00 C ATOM 113 O GLN A 10 48.617 -1.072 -1.463 1.00 0.00 O ATOM 114 CB GLN A 10 48.915 -4.288 -2.439 1.00 0.00 C ATOM 115 CG GLN A 10 49.867 -4.480 -1.250 1.00 0.00 C ATOM 116 CD GLN A 10 49.654 -5.869 -0.646 1.00 0.00 C ATOM 117 OE1 GLN A 10 50.670 -6.680 -0.536 1.00 0.00 O flip ATOM 118 NE2 GLN A 10 48.553 -6.220 -0.269 1.00 0.00 N flip ATOM 0 H GLN A 10 51.039 -3.160 -3.671 1.00 0.00 H new ATOM 0 HA GLN A 10 48.096 -2.494 -3.416 1.00 0.00 H new ATOM 0 HB2 GLN A 10 47.888 -4.475 -2.124 1.00 0.00 H new ATOM 0 HB3 GLN A 10 49.146 -5.015 -3.218 1.00 0.00 H new ATOM 0 HG2 GLN A 10 50.901 -4.368 -1.576 1.00 0.00 H new ATOM 0 HG3 GLN A 10 49.686 -3.713 -0.497 1.00 0.00 H new ATOM 0 HE21 GLN A 10 47.758 -5.586 -0.355 1.00 0.00 H new ATOM 0 HE22 GLN A 10 48.424 -7.148 0.133 1.00 0.00 H new ATOM 127 N LEU A 11 50.642 -1.916 -1.447 1.00 0.00 N ATOM 128 CA LEU A 11 51.061 -0.990 -0.358 1.00 0.00 C ATOM 129 C LEU A 11 50.183 -1.227 0.868 1.00 0.00 C ATOM 130 O LEU A 11 49.020 -0.876 0.884 1.00 0.00 O ATOM 131 CB LEU A 11 50.857 0.420 -0.912 1.00 0.00 C ATOM 132 CG LEU A 11 51.475 1.433 0.056 1.00 0.00 C ATOM 133 CD1 LEU A 11 52.881 0.979 0.449 1.00 0.00 C ATOM 134 CD2 LEU A 11 51.562 2.802 -0.617 1.00 0.00 C ATOM 0 H LEU A 11 51.364 -2.556 -1.777 1.00 0.00 H new ATOM 0 HA LEU A 11 52.097 -1.142 -0.054 1.00 0.00 H new ATOM 0 HB2 LEU A 11 51.320 0.508 -1.895 1.00 0.00 H new ATOM 0 HB3 LEU A 11 49.794 0.623 -1.041 1.00 0.00 H new ATOM 0 HG LEU A 11 50.850 1.501 0.946 1.00 0.00 H new ATOM 0 HD11 LEU A 11 53.318 1.702 1.138 1.00 0.00 H new ATOM 0 HD12 LEU A 11 52.826 0.004 0.933 1.00 0.00 H new ATOM 0 HD13 LEU A 11 53.503 0.907 -0.443 1.00 0.00 H new ATOM 0 HD21 LEU A 11 52.002 3.520 0.075 1.00 0.00 H new ATOM 0 HD22 LEU A 11 52.184 2.730 -1.509 1.00 0.00 H new ATOM 0 HD23 LEU A 11 50.562 3.134 -0.897 1.00 0.00 H new ATOM 146 N SER A 12 50.732 -1.841 1.883 1.00 0.00 N ATOM 147 CA SER A 12 49.942 -2.130 3.116 1.00 0.00 C ATOM 148 C SER A 12 48.953 -0.998 3.404 1.00 0.00 C ATOM 149 O SER A 12 49.235 0.161 3.171 1.00 0.00 O ATOM 150 CB SER A 12 50.979 -2.232 4.235 1.00 0.00 C ATOM 151 OG SER A 12 50.910 -1.073 5.054 1.00 0.00 O ATOM 0 H SER A 12 51.701 -2.157 1.911 1.00 0.00 H new ATOM 0 HA SER A 12 49.352 -3.041 3.017 1.00 0.00 H new ATOM 0 HB2 SER A 12 50.797 -3.124 4.834 1.00 0.00 H new ATOM 0 HB3 SER A 12 51.978 -2.331 3.811 1.00 0.00 H new ATOM 0 HG SER A 12 51.114 -1.315 5.982 1.00 0.00 H new ATOM 157 N ALA A 13 47.797 -1.328 3.906 1.00 0.00 N ATOM 158 CA ALA A 13 46.788 -0.274 4.206 1.00 0.00 C ATOM 159 C ALA A 13 47.363 0.738 5.200 1.00 0.00 C ATOM 160 O ALA A 13 46.816 1.805 5.399 1.00 0.00 O ATOM 161 CB ALA A 13 45.610 -1.024 4.828 1.00 0.00 C ATOM 0 H ALA A 13 47.507 -2.282 4.122 1.00 0.00 H new ATOM 0 HA ALA A 13 46.494 0.284 3.317 1.00 0.00 H new ATOM 0 HB1 ALA A 13 44.820 -0.316 5.079 1.00 0.00 H new ATOM 0 HB2 ALA A 13 45.229 -1.756 4.117 1.00 0.00 H new ATOM 0 HB3 ALA A 13 45.941 -1.535 5.732 1.00 0.00 H new ATOM 167 N ASN A 14 48.459 0.412 5.828 1.00 0.00 N ATOM 168 CA ASN A 14 49.062 1.356 6.808 1.00 0.00 C ATOM 169 C ASN A 14 50.404 1.888 6.293 1.00 0.00 C ATOM 170 O ASN A 14 51.128 2.555 7.008 1.00 0.00 O ATOM 171 CB ASN A 14 49.260 0.529 8.078 1.00 0.00 C ATOM 172 CG ASN A 14 50.415 -0.452 7.876 1.00 0.00 C ATOM 173 OD1 ASN A 14 50.166 -1.650 7.424 1.00 0.00 O flip ATOM 174 ND2 ASN A 14 51.557 -0.126 8.133 1.00 0.00 N flip ATOM 0 H ASN A 14 48.962 -0.467 5.704 1.00 0.00 H new ATOM 0 HA ASN A 14 48.431 2.228 6.980 1.00 0.00 H new ATOM 0 HB2 ASN A 14 49.470 1.185 8.922 1.00 0.00 H new ATOM 0 HB3 ASN A 14 48.346 -0.014 8.317 1.00 0.00 H new ATOM 0 HD21 ASN A 14 51.753 0.811 8.486 1.00 0.00 H new ATOM 0 HD22 ASN A 14 52.320 -0.789 7.995 1.00 0.00 H new ATOM 181 N SER A 15 50.748 1.609 5.062 1.00 0.00 N ATOM 182 CA SER A 15 52.045 2.115 4.527 1.00 0.00 C ATOM 183 C SER A 15 51.886 3.565 4.054 1.00 0.00 C ATOM 184 O SER A 15 51.053 4.298 4.549 1.00 0.00 O ATOM 185 CB SER A 15 52.391 1.193 3.358 1.00 0.00 C ATOM 186 OG SER A 15 53.799 1.195 3.167 1.00 0.00 O ATOM 0 H SER A 15 50.191 1.057 4.410 1.00 0.00 H new ATOM 0 HA SER A 15 52.833 2.112 5.280 1.00 0.00 H new ATOM 0 HB2 SER A 15 52.040 0.181 3.560 1.00 0.00 H new ATOM 0 HB3 SER A 15 51.888 1.530 2.452 1.00 0.00 H new ATOM 0 HG SER A 15 54.207 0.507 3.733 1.00 0.00 H new ATOM 192 N LYS A 16 52.681 3.993 3.109 1.00 0.00 N ATOM 193 CA LYS A 16 52.568 5.402 2.626 1.00 0.00 C ATOM 194 C LYS A 16 52.907 5.499 1.134 1.00 0.00 C ATOM 195 O LYS A 16 53.657 4.704 0.603 1.00 0.00 O ATOM 196 CB LYS A 16 53.592 6.179 3.456 1.00 0.00 C ATOM 197 CG LYS A 16 53.123 7.625 3.630 1.00 0.00 C ATOM 198 CD LYS A 16 54.147 8.395 4.467 1.00 0.00 C ATOM 199 CE LYS A 16 53.620 9.805 4.749 1.00 0.00 C ATOM 200 NZ LYS A 16 54.037 10.614 3.570 1.00 0.00 N ATOM 0 H LYS A 16 53.400 3.432 2.652 1.00 0.00 H new ATOM 0 HA LYS A 16 51.556 5.792 2.738 1.00 0.00 H new ATOM 0 HB2 LYS A 16 53.718 5.707 4.431 1.00 0.00 H new ATOM 0 HB3 LYS A 16 54.564 6.158 2.964 1.00 0.00 H new ATOM 0 HG2 LYS A 16 53.003 8.099 2.656 1.00 0.00 H new ATOM 0 HG3 LYS A 16 52.148 7.647 4.118 1.00 0.00 H new ATOM 0 HD2 LYS A 16 54.334 7.871 5.404 1.00 0.00 H new ATOM 0 HD3 LYS A 16 55.098 8.450 3.937 1.00 0.00 H new ATOM 0 HE2 LYS A 16 52.536 9.806 4.865 1.00 0.00 H new ATOM 0 HE3 LYS A 16 54.040 10.206 5.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 53.612 11.561 3.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 55.073 10.699 3.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 53.717 10.147 2.698 1.00 0.00 H new ATOM 214 N CYS A 17 52.360 6.475 0.456 1.00 0.00 N ATOM 215 CA CYS A 17 52.650 6.636 -1.000 1.00 0.00 C ATOM 216 C CYS A 17 52.756 8.126 -1.350 1.00 0.00 C ATOM 217 O CYS A 17 53.090 8.943 -0.515 1.00 0.00 O ATOM 218 CB CYS A 17 51.458 5.991 -1.715 1.00 0.00 C ATOM 219 SG CYS A 17 49.915 6.668 -1.057 1.00 0.00 S ATOM 0 H CYS A 17 51.724 7.169 0.849 1.00 0.00 H new ATOM 0 HA CYS A 17 53.593 6.174 -1.293 1.00 0.00 H new ATOM 0 HB2 CYS A 17 51.520 6.177 -2.787 1.00 0.00 H new ATOM 0 HB3 CYS A 17 51.480 4.910 -1.577 1.00 0.00 H new ATOM 224 N GLU A 18 52.479 8.487 -2.575 1.00 0.00 N ATOM 225 CA GLU A 18 52.568 9.924 -2.968 1.00 0.00 C ATOM 226 C GLU A 18 53.973 10.462 -2.687 1.00 0.00 C ATOM 227 O GLU A 18 54.712 9.913 -1.893 1.00 0.00 O ATOM 228 CB GLU A 18 51.533 10.642 -2.101 1.00 0.00 C ATOM 229 CG GLU A 18 50.133 10.127 -2.442 1.00 0.00 C ATOM 230 CD GLU A 18 49.454 11.099 -3.409 1.00 0.00 C ATOM 231 OE1 GLU A 18 50.120 12.016 -3.860 1.00 0.00 O ATOM 232 OE2 GLU A 18 48.280 10.909 -3.681 1.00 0.00 O ATOM 0 H GLU A 18 52.195 7.850 -3.319 1.00 0.00 H new ATOM 0 HA GLU A 18 52.378 10.073 -4.031 1.00 0.00 H new ATOM 0 HB2 GLU A 18 51.747 10.472 -1.046 1.00 0.00 H new ATOM 0 HB3 GLU A 18 51.587 11.718 -2.268 1.00 0.00 H new ATOM 0 HG2 GLU A 18 50.198 9.136 -2.891 1.00 0.00 H new ATOM 0 HG3 GLU A 18 49.539 10.027 -1.533 1.00 0.00 H new ATOM 239 N LYS A 19 54.351 11.532 -3.333 1.00 0.00 N ATOM 240 CA LYS A 19 55.711 12.101 -3.105 1.00 0.00 C ATOM 241 C LYS A 19 56.750 10.978 -3.085 1.00 0.00 C ATOM 242 O LYS A 19 57.399 10.735 -2.089 1.00 0.00 O ATOM 243 CB LYS A 19 55.632 12.786 -1.742 1.00 0.00 C ATOM 244 CG LYS A 19 55.817 14.294 -1.919 1.00 0.00 C ATOM 245 CD LYS A 19 54.466 14.994 -1.774 1.00 0.00 C ATOM 246 CE LYS A 19 54.494 15.911 -0.550 1.00 0.00 C ATOM 247 NZ LYS A 19 53.070 16.276 -0.312 1.00 0.00 N ATOM 0 H LYS A 19 53.777 12.037 -4.009 1.00 0.00 H new ATOM 0 HA LYS A 19 56.008 12.797 -3.890 1.00 0.00 H new ATOM 0 HB2 LYS A 19 54.670 12.579 -1.274 1.00 0.00 H new ATOM 0 HB3 LYS A 19 56.401 12.390 -1.079 1.00 0.00 H new ATOM 0 HG2 LYS A 19 56.517 14.675 -1.176 1.00 0.00 H new ATOM 0 HG3 LYS A 19 56.245 14.506 -2.899 1.00 0.00 H new ATOM 0 HD2 LYS A 19 54.247 15.574 -2.671 1.00 0.00 H new ATOM 0 HD3 LYS A 19 53.671 14.255 -1.670 1.00 0.00 H new ATOM 0 HE2 LYS A 19 54.921 15.403 0.315 1.00 0.00 H new ATOM 0 HE3 LYS A 19 55.103 16.796 -0.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 53.006 16.905 0.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 52.692 16.764 -1.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 52.516 15.414 -0.134 1.00 0.00 H new ATOM 261 N SER A 20 56.905 10.291 -4.182 1.00 0.00 N ATOM 262 CA SER A 20 57.895 9.179 -4.236 1.00 0.00 C ATOM 263 C SER A 20 58.053 8.694 -5.679 1.00 0.00 C ATOM 264 O SER A 20 57.207 8.925 -6.519 1.00 0.00 O ATOM 265 CB SER A 20 57.292 8.078 -3.366 1.00 0.00 C ATOM 266 OG SER A 20 56.008 7.733 -3.867 1.00 0.00 O ATOM 0 H SER A 20 56.387 10.452 -5.046 1.00 0.00 H new ATOM 0 HA SER A 20 58.883 9.480 -3.888 1.00 0.00 H new ATOM 0 HB2 SER A 20 57.942 7.203 -3.365 1.00 0.00 H new ATOM 0 HB3 SER A 20 57.213 8.417 -2.333 1.00 0.00 H new ATOM 0 HG SER A 20 55.321 8.229 -3.375 1.00 0.00 H new ATOM 272 N THR A 21 59.123 8.011 -5.972 1.00 0.00 N ATOM 273 CA THR A 21 59.322 7.500 -7.357 1.00 0.00 C ATOM 274 C THR A 21 59.558 5.995 -7.296 1.00 0.00 C ATOM 275 O THR A 21 60.612 5.538 -6.904 1.00 0.00 O ATOM 276 CB THR A 21 60.561 8.222 -7.886 1.00 0.00 C ATOM 277 OG1 THR A 21 61.042 7.547 -9.040 1.00 0.00 O ATOM 278 CG2 THR A 21 61.647 8.234 -6.810 1.00 0.00 C ATOM 0 H THR A 21 59.868 7.784 -5.313 1.00 0.00 H new ATOM 0 HA THR A 21 58.462 7.678 -8.002 1.00 0.00 H new ATOM 0 HB THR A 21 60.301 9.248 -8.146 1.00 0.00 H new ATOM 0 HG1 THR A 21 61.836 8.009 -9.382 1.00 0.00 H new ATOM 0 HG21 THR A 21 62.529 8.749 -7.189 1.00 0.00 H new ATOM 0 HG22 THR A 21 61.277 8.752 -5.925 1.00 0.00 H new ATOM 0 HG23 THR A 21 61.910 7.209 -6.547 1.00 0.00 H new ATOM 286 N LEU A 22 58.577 5.217 -7.652 1.00 0.00 N ATOM 287 CA LEU A 22 58.753 3.740 -7.576 1.00 0.00 C ATOM 288 C LEU A 22 58.031 3.034 -8.726 1.00 0.00 C ATOM 289 O LEU A 22 57.585 3.649 -9.674 1.00 0.00 O ATOM 290 CB LEU A 22 58.141 3.316 -6.227 1.00 0.00 C ATOM 291 CG LEU A 22 57.222 4.405 -5.663 1.00 0.00 C ATOM 292 CD1 LEU A 22 56.189 3.767 -4.736 1.00 0.00 C ATOM 293 CD2 LEU A 22 58.057 5.414 -4.873 1.00 0.00 C ATOM 0 H LEU A 22 57.668 5.535 -7.990 1.00 0.00 H new ATOM 0 HA LEU A 22 59.806 3.468 -7.654 1.00 0.00 H new ATOM 0 HB2 LEU A 22 57.577 2.392 -6.356 1.00 0.00 H new ATOM 0 HB3 LEU A 22 58.938 3.105 -5.514 1.00 0.00 H new ATOM 0 HG LEU A 22 56.713 4.913 -6.482 1.00 0.00 H new ATOM 0 HD11 LEU A 22 55.534 4.540 -4.334 1.00 0.00 H new ATOM 0 HD12 LEU A 22 55.595 3.044 -5.295 1.00 0.00 H new ATOM 0 HD13 LEU A 22 56.699 3.261 -3.916 1.00 0.00 H new ATOM 0 HD21 LEU A 22 57.405 6.190 -4.471 1.00 0.00 H new ATOM 0 HD22 LEU A 22 58.564 4.905 -4.053 1.00 0.00 H new ATOM 0 HD23 LEU A 22 58.798 5.868 -5.531 1.00 0.00 H new ATOM 305 N THR A 23 57.922 1.736 -8.636 1.00 0.00 N ATOM 306 CA THR A 23 57.240 0.944 -9.700 1.00 0.00 C ATOM 307 C THR A 23 57.223 -0.532 -9.286 1.00 0.00 C ATOM 308 O THR A 23 58.132 -1.010 -8.639 1.00 0.00 O ATOM 309 CB THR A 23 58.085 1.152 -10.964 1.00 0.00 C ATOM 310 OG1 THR A 23 57.693 2.361 -11.599 1.00 0.00 O ATOM 311 CG2 THR A 23 57.879 -0.017 -11.932 1.00 0.00 C ATOM 0 H THR A 23 58.282 1.183 -7.858 1.00 0.00 H new ATOM 0 HA THR A 23 56.207 1.251 -9.866 1.00 0.00 H new ATOM 0 HB THR A 23 59.137 1.204 -10.685 1.00 0.00 H new ATOM 0 HG1 THR A 23 57.418 3.013 -10.921 1.00 0.00 H new ATOM 0 HG21 THR A 23 58.483 0.140 -12.826 1.00 0.00 H new ATOM 0 HG22 THR A 23 58.180 -0.947 -11.449 1.00 0.00 H new ATOM 0 HG23 THR A 23 56.827 -0.077 -12.211 1.00 0.00 H new ATOM 319 N ASN A 24 56.198 -1.254 -9.646 1.00 0.00 N ATOM 320 CA ASN A 24 56.125 -2.695 -9.261 1.00 0.00 C ATOM 321 C ASN A 24 56.496 -2.859 -7.780 1.00 0.00 C ATOM 322 O ASN A 24 57.655 -2.918 -7.421 1.00 0.00 O ATOM 323 CB ASN A 24 57.146 -3.399 -10.155 1.00 0.00 C ATOM 324 CG ASN A 24 56.755 -3.210 -11.622 1.00 0.00 C ATOM 325 OD1 ASN A 24 56.012 -2.308 -11.953 1.00 0.00 O ATOM 326 ND2 ASN A 24 57.225 -4.030 -12.522 1.00 0.00 N ATOM 0 H ASN A 24 55.407 -0.910 -10.190 1.00 0.00 H new ATOM 0 HA ASN A 24 55.125 -3.110 -9.388 1.00 0.00 H new ATOM 0 HB2 ASN A 24 58.142 -2.993 -9.978 1.00 0.00 H new ATOM 0 HB3 ASN A 24 57.187 -4.461 -9.912 1.00 0.00 H new ATOM 0 HD21 ASN A 24 56.968 -3.913 -13.502 1.00 0.00 H new ATOM 0 HD22 ASN A 24 57.849 -4.788 -12.245 1.00 0.00 H new ATOM 333 N CYS A 25 55.518 -2.922 -6.916 1.00 0.00 N ATOM 334 CA CYS A 25 55.817 -3.064 -5.459 1.00 0.00 C ATOM 335 C CYS A 25 54.832 -4.029 -4.787 1.00 0.00 C ATOM 336 O CYS A 25 54.264 -4.896 -5.423 1.00 0.00 O ATOM 337 CB CYS A 25 55.665 -1.644 -4.905 1.00 0.00 C ATOM 338 SG CYS A 25 56.756 -0.544 -5.841 1.00 0.00 S ATOM 0 H CYS A 25 54.527 -2.881 -7.154 1.00 0.00 H new ATOM 0 HA CYS A 25 56.808 -3.478 -5.274 1.00 0.00 H new ATOM 0 HB2 CYS A 25 54.630 -1.313 -4.990 1.00 0.00 H new ATOM 0 HB3 CYS A 25 55.922 -1.621 -3.846 1.00 0.00 H new ATOM 343 N TYR A 26 54.639 -3.887 -3.501 1.00 0.00 N ATOM 344 CA TYR A 26 53.707 -4.786 -2.753 1.00 0.00 C ATOM 345 C TYR A 26 54.012 -4.654 -1.263 1.00 0.00 C ATOM 346 O TYR A 26 54.097 -5.627 -0.539 1.00 0.00 O ATOM 347 CB TYR A 26 54.020 -6.205 -3.236 1.00 0.00 C ATOM 348 CG TYR A 26 52.871 -6.729 -4.064 1.00 0.00 C ATOM 349 CD1 TYR A 26 51.550 -6.492 -3.663 1.00 0.00 C ATOM 350 CD2 TYR A 26 53.128 -7.457 -5.232 1.00 0.00 C ATOM 351 CE1 TYR A 26 50.487 -6.983 -4.431 1.00 0.00 C ATOM 352 CE2 TYR A 26 52.065 -7.949 -5.999 1.00 0.00 C ATOM 353 CZ TYR A 26 50.744 -7.713 -5.598 1.00 0.00 C ATOM 354 OH TYR A 26 49.696 -8.199 -6.355 1.00 0.00 O ATOM 0 H TYR A 26 55.094 -3.176 -2.929 1.00 0.00 H new ATOM 0 HA TYR A 26 52.657 -4.542 -2.917 1.00 0.00 H new ATOM 0 HB2 TYR A 26 54.936 -6.204 -3.827 1.00 0.00 H new ATOM 0 HB3 TYR A 26 54.193 -6.860 -2.382 1.00 0.00 H new ATOM 0 HD1 TYR A 26 51.351 -5.931 -2.762 1.00 0.00 H new ATOM 0 HD2 TYR A 26 54.147 -7.639 -5.541 1.00 0.00 H new ATOM 0 HE1 TYR A 26 49.468 -6.799 -4.123 1.00 0.00 H new ATOM 0 HE2 TYR A 26 52.264 -8.511 -6.900 1.00 0.00 H new ATOM 0 HH TYR A 26 50.049 -8.681 -7.131 1.00 0.00 H new ATOM 364 N VAL A 27 54.203 -3.447 -0.812 1.00 0.00 N ATOM 365 CA VAL A 27 54.536 -3.213 0.620 1.00 0.00 C ATOM 366 C VAL A 27 53.403 -3.692 1.531 1.00 0.00 C ATOM 367 O VAL A 27 52.240 -3.607 1.194 1.00 0.00 O ATOM 368 CB VAL A 27 54.723 -1.700 0.727 1.00 0.00 C ATOM 369 CG1 VAL A 27 55.266 -1.344 2.110 1.00 0.00 C ATOM 370 CG2 VAL A 27 55.714 -1.236 -0.345 1.00 0.00 C ATOM 0 H VAL A 27 54.142 -2.603 -1.381 1.00 0.00 H new ATOM 0 HA VAL A 27 55.424 -3.762 0.933 1.00 0.00 H new ATOM 0 HB VAL A 27 53.763 -1.205 0.579 1.00 0.00 H new ATOM 0 HG11 VAL A 27 55.398 -0.264 2.182 1.00 0.00 H new ATOM 0 HG12 VAL A 27 54.562 -1.675 2.874 1.00 0.00 H new ATOM 0 HG13 VAL A 27 56.226 -1.838 2.262 1.00 0.00 H new ATOM 0 HG21 VAL A 27 55.850 -0.157 -0.272 1.00 0.00 H new ATOM 0 HG22 VAL A 27 56.672 -1.734 -0.195 1.00 0.00 H new ATOM 0 HG23 VAL A 27 55.326 -1.487 -1.332 1.00 0.00 H new ATOM 380 N ASP A 28 53.746 -4.199 2.684 1.00 0.00 N ATOM 381 CA ASP A 28 52.703 -4.692 3.632 1.00 0.00 C ATOM 382 C ASP A 28 52.919 -4.085 5.024 1.00 0.00 C ATOM 383 O ASP A 28 52.215 -4.395 5.963 1.00 0.00 O ATOM 384 CB ASP A 28 52.893 -6.210 3.671 1.00 0.00 C ATOM 385 CG ASP A 28 51.981 -6.865 2.631 1.00 0.00 C ATOM 386 OD1 ASP A 28 51.147 -6.166 2.079 1.00 0.00 O ATOM 387 OD2 ASP A 28 52.135 -8.054 2.403 1.00 0.00 O ATOM 0 H ASP A 28 54.707 -4.294 3.012 1.00 0.00 H new ATOM 0 HA ASP A 28 51.696 -4.414 3.320 1.00 0.00 H new ATOM 0 HB2 ASP A 28 53.934 -6.462 3.468 1.00 0.00 H new ATOM 0 HB3 ASP A 28 52.661 -6.591 4.666 1.00 0.00 H new ATOM 392 N LYS A 29 53.883 -3.217 5.157 1.00 0.00 N ATOM 393 CA LYS A 29 54.145 -2.579 6.481 1.00 0.00 C ATOM 394 C LYS A 29 55.387 -1.689 6.392 1.00 0.00 C ATOM 395 O LYS A 29 56.465 -2.071 6.796 1.00 0.00 O ATOM 396 CB LYS A 29 54.390 -3.736 7.454 1.00 0.00 C ATOM 397 CG LYS A 29 53.148 -3.954 8.320 1.00 0.00 C ATOM 398 CD LYS A 29 53.561 -4.015 9.792 1.00 0.00 C ATOM 399 CE LYS A 29 52.568 -4.883 10.568 1.00 0.00 C ATOM 400 NZ LYS A 29 53.057 -6.280 10.390 1.00 0.00 N ATOM 0 H LYS A 29 54.504 -2.920 4.404 1.00 0.00 H new ATOM 0 HA LYS A 29 53.314 -1.951 6.804 1.00 0.00 H new ATOM 0 HB2 LYS A 29 54.624 -4.646 6.901 1.00 0.00 H new ATOM 0 HB3 LYS A 29 55.251 -3.517 8.085 1.00 0.00 H new ATOM 0 HG2 LYS A 29 52.435 -3.144 8.164 1.00 0.00 H new ATOM 0 HG3 LYS A 29 52.648 -4.879 8.032 1.00 0.00 H new ATOM 0 HD2 LYS A 29 54.566 -4.426 9.881 1.00 0.00 H new ATOM 0 HD3 LYS A 29 53.589 -3.011 10.214 1.00 0.00 H new ATOM 0 HE2 LYS A 29 52.540 -4.606 11.622 1.00 0.00 H new ATOM 0 HE3 LYS A 29 51.556 -4.767 10.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 52.328 -6.947 10.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 53.260 -6.451 9.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 53.925 -6.418 10.946 1.00 0.00 H new ATOM 414 N SER A 30 55.251 -0.508 5.861 1.00 0.00 N ATOM 415 CA SER A 30 56.436 0.388 5.749 1.00 0.00 C ATOM 416 C SER A 30 55.993 1.820 5.447 1.00 0.00 C ATOM 417 O SER A 30 54.858 2.188 5.668 1.00 0.00 O ATOM 418 CB SER A 30 57.244 -0.177 4.584 1.00 0.00 C ATOM 419 OG SER A 30 57.814 -1.422 4.966 1.00 0.00 O ATOM 0 H SER A 30 54.377 -0.125 5.501 1.00 0.00 H new ATOM 0 HA SER A 30 57.015 0.425 6.672 1.00 0.00 H new ATOM 0 HB2 SER A 30 56.603 -0.310 3.713 1.00 0.00 H new ATOM 0 HB3 SER A 30 58.029 0.523 4.298 1.00 0.00 H new ATOM 0 HG SER A 30 57.408 -1.724 5.805 1.00 0.00 H new ATOM 425 N GLU A 31 56.881 2.629 4.942 1.00 0.00 N ATOM 426 CA GLU A 31 56.503 4.039 4.627 1.00 0.00 C ATOM 427 C GLU A 31 57.090 4.464 3.279 1.00 0.00 C ATOM 428 O GLU A 31 56.372 4.778 2.352 1.00 0.00 O ATOM 429 CB GLU A 31 57.099 4.875 5.761 1.00 0.00 C ATOM 430 CG GLU A 31 55.968 5.515 6.567 1.00 0.00 C ATOM 431 CD GLU A 31 56.490 5.919 7.947 1.00 0.00 C ATOM 432 OE1 GLU A 31 57.691 6.084 8.080 1.00 0.00 O ATOM 433 OE2 GLU A 31 55.679 6.054 8.849 1.00 0.00 O ATOM 0 H GLU A 31 57.848 2.379 4.734 1.00 0.00 H new ATOM 0 HA GLU A 31 55.423 4.165 4.552 1.00 0.00 H new ATOM 0 HB2 GLU A 31 57.711 4.247 6.408 1.00 0.00 H new ATOM 0 HB3 GLU A 31 57.753 5.647 5.354 1.00 0.00 H new ATOM 0 HG2 GLU A 31 55.583 6.389 6.042 1.00 0.00 H new ATOM 0 HG3 GLU A 31 55.139 4.814 6.671 1.00 0.00 H new ATOM 440 N VAL A 32 58.390 4.478 3.164 1.00 0.00 N ATOM 441 CA VAL A 32 59.023 4.883 1.875 1.00 0.00 C ATOM 442 C VAL A 32 58.719 6.350 1.559 1.00 0.00 C ATOM 443 O VAL A 32 57.714 6.894 1.971 1.00 0.00 O ATOM 444 CB VAL A 32 58.398 3.978 0.813 1.00 0.00 C ATOM 445 CG1 VAL A 32 59.248 4.029 -0.457 1.00 0.00 C ATOM 446 CG2 VAL A 32 58.338 2.538 1.332 1.00 0.00 C ATOM 0 H VAL A 32 59.042 4.226 3.907 1.00 0.00 H new ATOM 0 HA VAL A 32 60.108 4.783 1.914 1.00 0.00 H new ATOM 0 HB VAL A 32 57.388 4.322 0.592 1.00 0.00 H new ATOM 0 HG11 VAL A 32 58.806 3.385 -1.217 1.00 0.00 H new ATOM 0 HG12 VAL A 32 59.287 5.053 -0.828 1.00 0.00 H new ATOM 0 HG13 VAL A 32 60.258 3.685 -0.233 1.00 0.00 H new ATOM 0 HG21 VAL A 32 57.892 1.896 0.573 1.00 0.00 H new ATOM 0 HG22 VAL A 32 59.346 2.189 1.555 1.00 0.00 H new ATOM 0 HG23 VAL A 32 57.733 2.503 2.238 1.00 0.00 H new ATOM 456 N TYR A 33 59.583 6.986 0.817 1.00 0.00 N ATOM 457 CA TYR A 33 59.363 8.414 0.449 1.00 0.00 C ATOM 458 C TYR A 33 60.001 8.690 -0.914 1.00 0.00 C ATOM 459 O TYR A 33 59.330 8.759 -1.924 1.00 0.00 O ATOM 460 CB TYR A 33 60.063 9.224 1.541 1.00 0.00 C ATOM 461 CG TYR A 33 59.137 9.396 2.722 1.00 0.00 C ATOM 462 CD1 TYR A 33 59.125 8.445 3.750 1.00 0.00 C ATOM 463 CD2 TYR A 33 58.291 10.510 2.790 1.00 0.00 C ATOM 464 CE1 TYR A 33 58.266 8.610 4.846 1.00 0.00 C ATOM 465 CE2 TYR A 33 57.435 10.674 3.884 1.00 0.00 C ATOM 466 CZ TYR A 33 57.421 9.723 4.912 1.00 0.00 C ATOM 467 OH TYR A 33 56.576 9.885 5.991 1.00 0.00 O ATOM 0 H TYR A 33 60.440 6.574 0.447 1.00 0.00 H new ATOM 0 HA TYR A 33 58.306 8.670 0.377 1.00 0.00 H new ATOM 0 HB2 TYR A 33 60.976 8.718 1.854 1.00 0.00 H new ATOM 0 HB3 TYR A 33 60.356 10.199 1.152 1.00 0.00 H new ATOM 0 HD1 TYR A 33 59.777 7.585 3.699 1.00 0.00 H new ATOM 0 HD2 TYR A 33 58.300 11.243 1.997 1.00 0.00 H new ATOM 0 HE1 TYR A 33 58.257 7.877 5.640 1.00 0.00 H new ATOM 0 HE2 TYR A 33 56.784 11.535 3.936 1.00 0.00 H new ATOM 0 HH TYR A 33 56.240 10.805 6.008 1.00 0.00 H new ATOM 477 N GLY A 34 61.299 8.831 -0.948 1.00 0.00 N ATOM 478 CA GLY A 34 61.993 9.086 -2.242 1.00 0.00 C ATOM 479 C GLY A 34 62.758 7.825 -2.650 1.00 0.00 C ATOM 480 O GLY A 34 63.844 7.891 -3.195 1.00 0.00 O ATOM 0 H GLY A 34 61.910 8.780 -0.133 1.00 0.00 H new ATOM 0 HA2 GLY A 34 61.269 9.354 -3.012 1.00 0.00 H new ATOM 0 HA3 GLY A 34 62.679 9.928 -2.143 1.00 0.00 H new ATOM 484 N THR A 35 62.202 6.675 -2.380 1.00 0.00 N ATOM 485 CA THR A 35 62.889 5.401 -2.735 1.00 0.00 C ATOM 486 C THR A 35 62.631 5.044 -4.205 1.00 0.00 C ATOM 487 O THR A 35 61.831 5.666 -4.877 1.00 0.00 O ATOM 488 CB THR A 35 62.273 4.359 -1.784 1.00 0.00 C ATOM 489 OG1 THR A 35 63.077 4.259 -0.617 1.00 0.00 O ATOM 490 CG2 THR A 35 62.195 2.988 -2.463 1.00 0.00 C ATOM 0 H THR A 35 61.296 6.563 -1.926 1.00 0.00 H new ATOM 0 HA THR A 35 63.972 5.459 -2.628 1.00 0.00 H new ATOM 0 HB THR A 35 61.264 4.677 -1.520 1.00 0.00 H new ATOM 0 HG1 THR A 35 63.978 3.963 -0.865 1.00 0.00 H new ATOM 0 HG21 THR A 35 61.757 2.265 -1.775 1.00 0.00 H new ATOM 0 HG22 THR A 35 61.575 3.059 -3.357 1.00 0.00 H new ATOM 0 HG23 THR A 35 63.197 2.662 -2.741 1.00 0.00 H new ATOM 498 N THR A 36 63.304 4.040 -4.704 1.00 0.00 N ATOM 499 CA THR A 36 63.101 3.632 -6.126 1.00 0.00 C ATOM 500 C THR A 36 62.599 2.185 -6.196 1.00 0.00 C ATOM 501 O THR A 36 63.216 1.331 -6.801 1.00 0.00 O ATOM 502 CB THR A 36 64.481 3.754 -6.774 1.00 0.00 C ATOM 503 OG1 THR A 36 65.163 4.874 -6.225 1.00 0.00 O ATOM 504 CG2 THR A 36 64.323 3.941 -8.284 1.00 0.00 C ATOM 0 H THR A 36 63.986 3.484 -4.188 1.00 0.00 H new ATOM 0 HA THR A 36 62.358 4.249 -6.631 1.00 0.00 H new ATOM 0 HB THR A 36 65.055 2.848 -6.581 1.00 0.00 H new ATOM 0 HG1 THR A 36 65.883 5.148 -6.831 1.00 0.00 H new ATOM 0 HG21 THR A 36 65.307 4.028 -8.745 1.00 0.00 H new ATOM 0 HG22 THR A 36 63.800 3.082 -8.704 1.00 0.00 H new ATOM 0 HG23 THR A 36 63.749 4.847 -8.480 1.00 0.00 H new ATOM 512 N CYS A 37 61.478 1.910 -5.581 1.00 0.00 N ATOM 513 CA CYS A 37 60.914 0.526 -5.605 1.00 0.00 C ATOM 514 C CYS A 37 61.111 -0.112 -6.984 1.00 0.00 C ATOM 515 O CYS A 37 60.404 0.191 -7.923 1.00 0.00 O ATOM 516 CB CYS A 37 59.427 0.729 -5.331 1.00 0.00 C ATOM 517 SG CYS A 37 58.601 -0.861 -5.075 1.00 0.00 S ATOM 0 H CYS A 37 60.925 2.590 -5.059 1.00 0.00 H new ATOM 0 HA CYS A 37 61.395 -0.133 -4.882 1.00 0.00 H new ATOM 0 HB2 CYS A 37 59.297 1.358 -4.450 1.00 0.00 H new ATOM 0 HB3 CYS A 37 58.966 1.253 -6.168 1.00 0.00 H new ATOM 522 N THR A 38 62.064 -0.994 -7.114 1.00 0.00 N ATOM 523 CA THR A 38 62.294 -1.647 -8.434 1.00 0.00 C ATOM 524 C THR A 38 61.798 -3.094 -8.395 1.00 0.00 C ATOM 525 O THR A 38 62.575 -4.025 -8.307 1.00 0.00 O ATOM 526 CB THR A 38 63.809 -1.603 -8.641 1.00 0.00 C ATOM 527 OG1 THR A 38 64.222 -0.257 -8.840 1.00 0.00 O ATOM 528 CG2 THR A 38 64.183 -2.442 -9.865 1.00 0.00 C ATOM 0 H THR A 38 62.691 -1.290 -6.366 1.00 0.00 H new ATOM 0 HA THR A 38 61.760 -1.148 -9.243 1.00 0.00 H new ATOM 0 HB THR A 38 64.308 -2.008 -7.760 1.00 0.00 H new ATOM 0 HG1 THR A 38 63.919 0.293 -8.087 1.00 0.00 H new ATOM 0 HG21 THR A 38 65.263 -2.410 -10.012 1.00 0.00 H new ATOM 0 HG22 THR A 38 63.868 -3.474 -9.709 1.00 0.00 H new ATOM 0 HG23 THR A 38 63.685 -2.040 -10.747 1.00 0.00 H new ATOM 536 N GLY A 39 60.510 -3.291 -8.454 1.00 0.00 N ATOM 537 CA GLY A 39 59.967 -4.679 -8.416 1.00 0.00 C ATOM 538 C GLY A 39 60.310 -5.315 -7.068 1.00 0.00 C ATOM 539 O GLY A 39 60.810 -6.420 -6.999 1.00 0.00 O ATOM 0 H GLY A 39 59.810 -2.552 -8.527 1.00 0.00 H new ATOM 0 HA2 GLY A 39 58.887 -4.664 -8.560 1.00 0.00 H new ATOM 0 HA3 GLY A 39 60.389 -5.270 -9.229 1.00 0.00 H new ATOM 543 N SER A 40 60.046 -4.622 -5.994 1.00 0.00 N ATOM 544 CA SER A 40 60.358 -5.180 -4.647 1.00 0.00 C ATOM 545 C SER A 40 59.223 -4.865 -3.669 1.00 0.00 C ATOM 546 O SER A 40 58.339 -4.082 -3.958 1.00 0.00 O ATOM 547 CB SER A 40 61.643 -4.476 -4.215 1.00 0.00 C ATOM 548 OG SER A 40 61.552 -3.095 -4.544 1.00 0.00 O ATOM 0 H SER A 40 59.627 -3.692 -5.991 1.00 0.00 H new ATOM 0 HA SER A 40 60.472 -6.264 -4.666 1.00 0.00 H new ATOM 0 HB2 SER A 40 61.796 -4.598 -3.143 1.00 0.00 H new ATOM 0 HB3 SER A 40 62.503 -4.925 -4.712 1.00 0.00 H new ATOM 0 HG SER A 40 62.374 -2.638 -4.267 1.00 0.00 H new ATOM 554 N ARG A 41 59.242 -5.469 -2.512 1.00 0.00 N ATOM 555 CA ARG A 41 58.167 -5.204 -1.512 1.00 0.00 C ATOM 556 C ARG A 41 58.735 -5.304 -0.094 1.00 0.00 C ATOM 557 O ARG A 41 59.750 -5.934 0.133 1.00 0.00 O ATOM 558 CB ARG A 41 57.124 -6.294 -1.757 1.00 0.00 C ATOM 559 CG ARG A 41 57.774 -7.669 -1.603 1.00 0.00 C ATOM 560 CD ARG A 41 57.097 -8.661 -2.551 1.00 0.00 C ATOM 561 NE ARG A 41 58.167 -9.070 -3.504 1.00 0.00 N ATOM 562 CZ ARG A 41 57.855 -9.469 -4.707 1.00 0.00 C ATOM 563 NH1 ARG A 41 56.898 -8.875 -5.366 1.00 0.00 N ATOM 564 NH2 ARG A 41 58.502 -10.463 -5.252 1.00 0.00 N ATOM 0 H ARG A 41 59.955 -6.135 -2.215 1.00 0.00 H new ATOM 0 HA ARG A 41 57.740 -4.206 -1.612 1.00 0.00 H new ATOM 0 HB2 ARG A 41 56.300 -6.189 -1.051 1.00 0.00 H new ATOM 0 HB3 ARG A 41 56.702 -6.190 -2.757 1.00 0.00 H new ATOM 0 HG2 ARG A 41 58.839 -7.607 -1.825 1.00 0.00 H new ATOM 0 HG3 ARG A 41 57.682 -8.013 -0.573 1.00 0.00 H new ATOM 0 HD2 ARG A 41 56.702 -9.520 -2.008 1.00 0.00 H new ATOM 0 HD3 ARG A 41 56.258 -8.200 -3.073 1.00 0.00 H new ATOM 0 HE ARG A 41 59.145 -9.038 -3.216 1.00 0.00 H new ATOM 0 HH11 ARG A 41 56.393 -8.098 -4.941 1.00 0.00 H new ATOM 0 HH12 ARG A 41 56.656 -9.188 -6.306 1.00 0.00 H new ATOM 0 HH21 ARG A 41 59.251 -10.927 -4.738 1.00 0.00 H new ATOM 0 HH22 ARG A 41 58.259 -10.776 -6.192 1.00 0.00 H new ATOM 578 N PHE A 42 58.097 -4.685 0.861 1.00 0.00 N ATOM 579 CA PHE A 42 58.615 -4.747 2.260 1.00 0.00 C ATOM 580 C PHE A 42 57.576 -5.379 3.187 1.00 0.00 C ATOM 581 O PHE A 42 56.500 -5.758 2.769 1.00 0.00 O ATOM 582 CB PHE A 42 58.864 -3.290 2.673 1.00 0.00 C ATOM 583 CG PHE A 42 59.433 -2.506 1.512 1.00 0.00 C ATOM 584 CD1 PHE A 42 60.446 -3.059 0.720 1.00 0.00 C ATOM 585 CD2 PHE A 42 58.944 -1.225 1.231 1.00 0.00 C ATOM 586 CE1 PHE A 42 60.971 -2.328 -0.353 1.00 0.00 C ATOM 587 CE2 PHE A 42 59.469 -0.495 0.158 1.00 0.00 C ATOM 588 CZ PHE A 42 60.482 -1.046 -0.633 1.00 0.00 C ATOM 0 H PHE A 42 57.243 -4.141 0.736 1.00 0.00 H new ATOM 0 HA PHE A 42 59.520 -5.352 2.325 1.00 0.00 H new ATOM 0 HB2 PHE A 42 57.931 -2.835 3.006 1.00 0.00 H new ATOM 0 HB3 PHE A 42 59.554 -3.257 3.516 1.00 0.00 H new ATOM 0 HD1 PHE A 42 60.822 -4.048 0.936 1.00 0.00 H new ATOM 0 HD2 PHE A 42 58.162 -0.800 1.842 1.00 0.00 H new ATOM 0 HE1 PHE A 42 61.753 -2.753 -0.965 1.00 0.00 H new ATOM 0 HE2 PHE A 42 59.092 0.493 -0.059 1.00 0.00 H new ATOM 0 HZ PHE A 42 60.887 -0.483 -1.460 1.00 0.00 H new ATOM 598 N ASP A 43 57.890 -5.488 4.449 1.00 0.00 N ATOM 599 CA ASP A 43 56.926 -6.087 5.417 1.00 0.00 C ATOM 600 C ASP A 43 57.231 -5.573 6.824 1.00 0.00 C ATOM 601 O ASP A 43 57.295 -6.327 7.775 1.00 0.00 O ATOM 602 CB ASP A 43 57.153 -7.597 5.330 1.00 0.00 C ATOM 603 CG ASP A 43 55.815 -8.325 5.483 1.00 0.00 C ATOM 604 OD1 ASP A 43 54.793 -7.659 5.450 1.00 0.00 O ATOM 605 OD2 ASP A 43 55.836 -9.536 5.632 1.00 0.00 O ATOM 0 H ASP A 43 58.777 -5.187 4.854 1.00 0.00 H new ATOM 0 HA ASP A 43 55.891 -5.827 5.194 1.00 0.00 H new ATOM 0 HB2 ASP A 43 57.610 -7.852 4.374 1.00 0.00 H new ATOM 0 HB3 ASP A 43 57.844 -7.917 6.110 1.00 0.00 H new ATOM 610 N GLY A 44 57.420 -4.290 6.959 1.00 0.00 N ATOM 611 CA GLY A 44 57.724 -3.716 8.297 1.00 0.00 C ATOM 612 C GLY A 44 59.039 -2.936 8.222 1.00 0.00 C ATOM 613 O GLY A 44 60.066 -3.389 8.686 1.00 0.00 O ATOM 0 H GLY A 44 57.377 -3.613 6.197 1.00 0.00 H new ATOM 0 HA2 GLY A 44 56.915 -3.059 8.617 1.00 0.00 H new ATOM 0 HA3 GLY A 44 57.801 -4.511 9.038 1.00 0.00 H new ATOM 617 N VAL A 45 59.019 -1.769 7.633 1.00 0.00 N ATOM 618 CA VAL A 45 60.277 -0.970 7.522 1.00 0.00 C ATOM 619 C VAL A 45 59.960 0.529 7.511 1.00 0.00 C ATOM 620 O VAL A 45 58.848 0.948 7.762 1.00 0.00 O ATOM 621 CB VAL A 45 60.932 -1.397 6.189 1.00 0.00 C ATOM 622 CG1 VAL A 45 60.576 -2.848 5.867 1.00 0.00 C ATOM 623 CG2 VAL A 45 60.442 -0.504 5.041 1.00 0.00 C ATOM 0 H VAL A 45 58.191 -1.335 7.225 1.00 0.00 H new ATOM 0 HA VAL A 45 60.941 -1.148 8.368 1.00 0.00 H new ATOM 0 HB VAL A 45 62.012 -1.296 6.295 1.00 0.00 H new ATOM 0 HG11 VAL A 45 61.043 -3.137 4.926 1.00 0.00 H new ATOM 0 HG12 VAL A 45 60.936 -3.497 6.665 1.00 0.00 H new ATOM 0 HG13 VAL A 45 59.494 -2.946 5.780 1.00 0.00 H new ATOM 0 HG21 VAL A 45 60.913 -0.818 4.109 1.00 0.00 H new ATOM 0 HG22 VAL A 45 59.360 -0.592 4.948 1.00 0.00 H new ATOM 0 HG23 VAL A 45 60.705 0.533 5.249 1.00 0.00 H new ATOM 633 N THR A 46 60.938 1.333 7.197 1.00 0.00 N ATOM 634 CA THR A 46 60.718 2.804 7.138 1.00 0.00 C ATOM 635 C THR A 46 61.749 3.433 6.199 1.00 0.00 C ATOM 636 O THR A 46 62.512 4.296 6.586 1.00 0.00 O ATOM 637 CB THR A 46 60.916 3.307 8.568 1.00 0.00 C ATOM 638 OG1 THR A 46 60.067 2.580 9.446 1.00 0.00 O ATOM 639 CG2 THR A 46 60.569 4.794 8.633 1.00 0.00 C ATOM 0 H THR A 46 61.887 1.031 6.977 1.00 0.00 H new ATOM 0 HA THR A 46 59.728 3.062 6.762 1.00 0.00 H new ATOM 0 HB THR A 46 61.954 3.163 8.867 1.00 0.00 H new ATOM 0 HG1 THR A 46 59.313 2.211 8.941 1.00 0.00 H new ATOM 0 HG21 THR A 46 60.709 5.156 9.652 1.00 0.00 H new ATOM 0 HG22 THR A 46 61.220 5.349 7.958 1.00 0.00 H new ATOM 0 HG23 THR A 46 59.530 4.939 8.336 1.00 0.00 H new ATOM 647 N ILE A 47 61.781 3.000 4.968 1.00 0.00 N ATOM 648 CA ILE A 47 62.768 3.565 4.005 1.00 0.00 C ATOM 649 C ILE A 47 62.289 4.928 3.502 1.00 0.00 C ATOM 650 O ILE A 47 61.157 5.314 3.714 1.00 0.00 O ATOM 651 CB ILE A 47 62.827 2.549 2.862 1.00 0.00 C ATOM 652 CG1 ILE A 47 64.073 2.809 2.014 1.00 0.00 C ATOM 653 CG2 ILE A 47 61.581 2.682 1.987 1.00 0.00 C ATOM 654 CD1 ILE A 47 64.463 1.529 1.273 1.00 0.00 C ATOM 0 H ILE A 47 61.167 2.280 4.588 1.00 0.00 H new ATOM 0 HA ILE A 47 63.748 3.724 4.454 1.00 0.00 H new ATOM 0 HB ILE A 47 62.870 1.542 3.278 1.00 0.00 H new ATOM 0 HG12 ILE A 47 63.880 3.610 1.301 1.00 0.00 H new ATOM 0 HG13 ILE A 47 64.895 3.139 2.649 1.00 0.00 H new ATOM 0 HG21 ILE A 47 61.628 1.957 1.175 1.00 0.00 H new ATOM 0 HG22 ILE A 47 60.692 2.496 2.589 1.00 0.00 H new ATOM 0 HG23 ILE A 47 61.534 3.689 1.572 1.00 0.00 H new ATOM 0 HD11 ILE A 47 65.351 1.715 0.669 1.00 0.00 H new ATOM 0 HD12 ILE A 47 64.674 0.740 1.995 1.00 0.00 H new ATOM 0 HD13 ILE A 47 63.642 1.219 0.626 1.00 0.00 H new ATOM 666 N THR A 48 63.142 5.661 2.842 1.00 0.00 N ATOM 667 CA THR A 48 62.733 7.000 2.333 1.00 0.00 C ATOM 668 C THR A 48 63.373 7.267 0.968 1.00 0.00 C ATOM 669 O THR A 48 62.752 7.093 -0.061 1.00 0.00 O ATOM 670 CB THR A 48 63.254 7.989 3.377 1.00 0.00 C ATOM 671 OG1 THR A 48 64.526 7.562 3.831 1.00 0.00 O ATOM 672 CG2 THR A 48 62.283 8.049 4.558 1.00 0.00 C ATOM 0 H THR A 48 64.103 5.391 2.633 1.00 0.00 H new ATOM 0 HA THR A 48 61.655 7.081 2.195 1.00 0.00 H new ATOM 0 HB THR A 48 63.338 8.980 2.930 1.00 0.00 H new ATOM 0 HG1 THR A 48 65.118 8.338 3.922 1.00 0.00 H new ATOM 0 HG21 THR A 48 62.656 8.754 5.301 1.00 0.00 H new ATOM 0 HG22 THR A 48 61.304 8.375 4.208 1.00 0.00 H new ATOM 0 HG23 THR A 48 62.196 7.060 5.008 1.00 0.00 H new ATOM 680 N THR A 49 64.608 7.687 0.950 1.00 0.00 N ATOM 681 CA THR A 49 65.288 7.964 -0.355 1.00 0.00 C ATOM 682 C THR A 49 66.374 6.915 -0.594 1.00 0.00 C ATOM 683 O THR A 49 67.453 7.215 -1.068 1.00 0.00 O ATOM 684 CB THR A 49 65.910 9.370 -0.234 1.00 0.00 C ATOM 685 OG1 THR A 49 67.302 9.261 0.008 1.00 0.00 O ATOM 686 CG2 THR A 49 65.264 10.152 0.911 1.00 0.00 C ATOM 0 H THR A 49 65.178 7.851 1.780 1.00 0.00 H new ATOM 0 HA THR A 49 64.592 7.921 -1.193 1.00 0.00 H new ATOM 0 HB THR A 49 65.736 9.901 -1.170 1.00 0.00 H new ATOM 0 HG1 THR A 49 67.723 8.760 -0.722 1.00 0.00 H new ATOM 0 HG21 THR A 49 65.718 11.141 0.978 1.00 0.00 H new ATOM 0 HG22 THR A 49 64.195 10.255 0.723 1.00 0.00 H new ATOM 0 HG23 THR A 49 65.418 9.618 1.849 1.00 0.00 H new ATOM 694 N SER A 50 66.097 5.686 -0.264 1.00 0.00 N ATOM 695 CA SER A 50 67.113 4.616 -0.458 1.00 0.00 C ATOM 696 C SER A 50 66.886 3.881 -1.775 1.00 0.00 C ATOM 697 O SER A 50 65.826 3.342 -2.026 1.00 0.00 O ATOM 698 CB SER A 50 66.903 3.662 0.716 1.00 0.00 C ATOM 699 OG SER A 50 66.360 4.382 1.815 1.00 0.00 O ATOM 0 H SER A 50 65.210 5.376 0.132 1.00 0.00 H new ATOM 0 HA SER A 50 68.124 5.021 -0.495 1.00 0.00 H new ATOM 0 HB2 SER A 50 66.230 2.854 0.427 1.00 0.00 H new ATOM 0 HB3 SER A 50 67.850 3.202 1.000 1.00 0.00 H new ATOM 0 HG SER A 50 67.088 4.702 2.388 1.00 0.00 H new ATOM 705 N THR A 51 67.885 3.835 -2.611 1.00 0.00 N ATOM 706 CA THR A 51 67.735 3.109 -3.901 1.00 0.00 C ATOM 707 C THR A 51 67.690 1.606 -3.623 1.00 0.00 C ATOM 708 O THR A 51 68.459 1.091 -2.837 1.00 0.00 O ATOM 709 CB THR A 51 68.980 3.473 -4.712 1.00 0.00 C ATOM 710 OG1 THR A 51 69.484 4.725 -4.269 1.00 0.00 O ATOM 711 CG2 THR A 51 68.618 3.561 -6.196 1.00 0.00 C ATOM 0 H THR A 51 68.796 4.267 -2.457 1.00 0.00 H new ATOM 0 HA THR A 51 66.823 3.374 -4.436 1.00 0.00 H new ATOM 0 HB THR A 51 69.741 2.706 -4.572 1.00 0.00 H new ATOM 0 HG1 THR A 51 69.927 5.182 -5.015 1.00 0.00 H new ATOM 0 HG21 THR A 51 69.506 3.820 -6.772 1.00 0.00 H new ATOM 0 HG22 THR A 51 68.234 2.599 -6.535 1.00 0.00 H new ATOM 0 HG23 THR A 51 67.856 4.327 -6.340 1.00 0.00 H new ATOM 719 N SER A 52 66.793 0.895 -4.245 1.00 0.00 N ATOM 720 CA SER A 52 66.714 -0.571 -3.988 1.00 0.00 C ATOM 721 C SER A 52 66.427 -1.331 -5.283 1.00 0.00 C ATOM 722 O SER A 52 65.408 -1.138 -5.917 1.00 0.00 O ATOM 723 CB SER A 52 65.560 -0.740 -2.999 1.00 0.00 C ATOM 724 OG SER A 52 64.447 0.026 -3.440 1.00 0.00 O ATOM 0 H SER A 52 66.116 1.260 -4.915 1.00 0.00 H new ATOM 0 HA SER A 52 67.651 -0.967 -3.595 1.00 0.00 H new ATOM 0 HB2 SER A 52 65.284 -1.792 -2.921 1.00 0.00 H new ATOM 0 HB3 SER A 52 65.868 -0.416 -2.005 1.00 0.00 H new ATOM 0 HG SER A 52 64.330 -0.094 -4.406 1.00 0.00 H new ATOM 730 N THR A 53 67.315 -2.202 -5.673 1.00 0.00 N ATOM 731 CA THR A 53 67.094 -2.987 -6.920 1.00 0.00 C ATOM 732 C THR A 53 67.006 -4.474 -6.576 1.00 0.00 C ATOM 733 O THR A 53 67.892 -5.246 -6.882 1.00 0.00 O ATOM 734 CB THR A 53 68.314 -2.705 -7.800 1.00 0.00 C ATOM 735 OG1 THR A 53 69.098 -1.675 -7.214 1.00 0.00 O ATOM 736 CG2 THR A 53 67.847 -2.266 -9.189 1.00 0.00 C ATOM 0 H THR A 53 68.186 -2.405 -5.182 1.00 0.00 H new ATOM 0 HA THR A 53 66.169 -2.714 -7.427 1.00 0.00 H new ATOM 0 HB THR A 53 68.916 -3.610 -7.887 1.00 0.00 H new ATOM 0 HG1 THR A 53 69.558 -1.173 -7.919 1.00 0.00 H new ATOM 0 HG21 THR A 53 68.714 -2.065 -9.818 1.00 0.00 H new ATOM 0 HG22 THR A 53 67.249 -3.058 -9.639 1.00 0.00 H new ATOM 0 HG23 THR A 53 67.245 -1.362 -9.101 1.00 0.00 H new ATOM 744 N GLY A 54 65.947 -4.876 -5.929 1.00 0.00 N ATOM 745 CA GLY A 54 65.804 -6.308 -5.547 1.00 0.00 C ATOM 746 C GLY A 54 66.285 -6.483 -4.107 1.00 0.00 C ATOM 747 O GLY A 54 67.453 -6.711 -3.857 1.00 0.00 O ATOM 0 H GLY A 54 65.174 -4.273 -5.648 1.00 0.00 H new ATOM 0 HA2 GLY A 54 64.764 -6.621 -5.638 1.00 0.00 H new ATOM 0 HA3 GLY A 54 66.387 -6.938 -6.219 1.00 0.00 H new ATOM 751 N SER A 55 65.401 -6.365 -3.154 1.00 0.00 N ATOM 752 CA SER A 55 65.824 -6.512 -1.733 1.00 0.00 C ATOM 753 C SER A 55 64.609 -6.536 -0.804 1.00 0.00 C ATOM 754 O SER A 55 63.767 -5.660 -0.844 1.00 0.00 O ATOM 755 CB SER A 55 66.676 -5.277 -1.455 1.00 0.00 C ATOM 756 OG SER A 55 65.882 -4.111 -1.624 1.00 0.00 O ATOM 0 H SER A 55 64.409 -6.174 -3.297 1.00 0.00 H new ATOM 0 HA SER A 55 66.366 -7.442 -1.562 1.00 0.00 H new ATOM 0 HB2 SER A 55 67.074 -5.316 -0.441 1.00 0.00 H new ATOM 0 HB3 SER A 55 67.530 -5.250 -2.132 1.00 0.00 H new ATOM 0 HG SER A 55 64.940 -4.332 -1.470 1.00 0.00 H new ATOM 762 N ARG A 56 64.520 -7.524 0.045 1.00 0.00 N ATOM 763 CA ARG A 56 63.368 -7.588 0.990 1.00 0.00 C ATOM 764 C ARG A 56 63.706 -6.797 2.257 1.00 0.00 C ATOM 765 O ARG A 56 64.483 -7.229 3.086 1.00 0.00 O ATOM 766 CB ARG A 56 63.176 -9.075 1.308 1.00 0.00 C ATOM 767 CG ARG A 56 64.515 -9.711 1.687 1.00 0.00 C ATOM 768 CD ARG A 56 64.271 -10.886 2.635 1.00 0.00 C ATOM 769 NE ARG A 56 64.058 -12.059 1.741 1.00 0.00 N ATOM 770 CZ ARG A 56 64.148 -13.270 2.220 1.00 0.00 C ATOM 771 NH1 ARG A 56 63.094 -13.855 2.718 1.00 0.00 N ATOM 772 NH2 ARG A 56 65.293 -13.896 2.199 1.00 0.00 N ATOM 0 H ARG A 56 65.192 -8.287 0.125 1.00 0.00 H new ATOM 0 HA ARG A 56 62.459 -7.158 0.570 1.00 0.00 H new ATOM 0 HB2 ARG A 56 62.465 -9.191 2.126 1.00 0.00 H new ATOM 0 HB3 ARG A 56 62.753 -9.588 0.444 1.00 0.00 H new ATOM 0 HG2 ARG A 56 65.033 -10.054 0.792 1.00 0.00 H new ATOM 0 HG3 ARG A 56 65.159 -8.972 2.165 1.00 0.00 H new ATOM 0 HD2 ARG A 56 65.122 -11.043 3.297 1.00 0.00 H new ATOM 0 HD3 ARG A 56 63.402 -10.709 3.269 1.00 0.00 H new ATOM 0 HE ARG A 56 63.842 -11.916 0.755 1.00 0.00 H new ATOM 0 HH11 ARG A 56 62.199 -13.366 2.733 1.00 0.00 H new ATOM 0 HH12 ARG A 56 63.165 -14.801 3.092 1.00 0.00 H new ATOM 0 HH21 ARG A 56 66.117 -13.439 1.808 1.00 0.00 H new ATOM 0 HH22 ARG A 56 65.364 -14.842 2.573 1.00 0.00 H new ATOM 786 N ILE A 57 63.140 -5.632 2.408 1.00 0.00 N ATOM 787 CA ILE A 57 63.444 -4.807 3.613 1.00 0.00 C ATOM 788 C ILE A 57 62.609 -5.263 4.816 1.00 0.00 C ATOM 789 O ILE A 57 62.492 -4.560 5.799 1.00 0.00 O ATOM 790 CB ILE A 57 63.081 -3.373 3.216 1.00 0.00 C ATOM 791 CG1 ILE A 57 63.573 -3.086 1.791 1.00 0.00 C ATOM 792 CG2 ILE A 57 63.743 -2.394 4.187 1.00 0.00 C ATOM 793 CD1 ILE A 57 64.999 -3.620 1.618 1.00 0.00 C ATOM 0 H ILE A 57 62.481 -5.215 1.751 1.00 0.00 H new ATOM 0 HA ILE A 57 64.488 -4.898 3.913 1.00 0.00 H new ATOM 0 HB ILE A 57 61.998 -3.254 3.254 1.00 0.00 H new ATOM 0 HG12 ILE A 57 62.908 -3.555 1.065 1.00 0.00 H new ATOM 0 HG13 ILE A 57 63.550 -2.014 1.597 1.00 0.00 H new ATOM 0 HG21 ILE A 57 63.486 -1.373 3.906 1.00 0.00 H new ATOM 0 HG22 ILE A 57 63.391 -2.591 5.199 1.00 0.00 H new ATOM 0 HG23 ILE A 57 64.825 -2.519 4.149 1.00 0.00 H new ATOM 0 HD11 ILE A 57 65.344 -3.414 0.605 1.00 0.00 H new ATOM 0 HD12 ILE A 57 65.660 -3.130 2.333 1.00 0.00 H new ATOM 0 HD13 ILE A 57 65.008 -4.696 1.793 1.00 0.00 H new ATOM 805 N SER A 58 62.033 -6.433 4.753 1.00 0.00 N ATOM 806 CA SER A 58 61.218 -6.919 5.905 1.00 0.00 C ATOM 807 C SER A 58 62.000 -6.748 7.210 1.00 0.00 C ATOM 808 O SER A 58 63.213 -6.695 7.212 1.00 0.00 O ATOM 809 CB SER A 58 60.979 -8.402 5.622 1.00 0.00 C ATOM 810 OG SER A 58 59.701 -8.567 5.021 1.00 0.00 O ATOM 0 H SER A 58 62.090 -7.071 3.959 1.00 0.00 H new ATOM 0 HA SER A 58 60.285 -6.367 6.013 1.00 0.00 H new ATOM 0 HB2 SER A 58 61.756 -8.788 4.962 1.00 0.00 H new ATOM 0 HB3 SER A 58 61.034 -8.974 6.548 1.00 0.00 H new ATOM 0 HG SER A 58 59.546 -9.517 4.837 1.00 0.00 H new ATOM 816 N GLY A 59 61.318 -6.660 8.321 1.00 0.00 N ATOM 817 CA GLY A 59 62.037 -6.495 9.619 1.00 0.00 C ATOM 818 C GLY A 59 61.081 -5.943 10.677 1.00 0.00 C ATOM 819 O GLY A 59 60.229 -5.128 10.383 1.00 0.00 O ATOM 0 H GLY A 59 60.301 -6.695 8.387 1.00 0.00 H new ATOM 0 HA2 GLY A 59 62.440 -7.453 9.946 1.00 0.00 H new ATOM 0 HA3 GLY A 59 62.883 -5.819 9.493 1.00 0.00 H new ATOM 823 N PRO A 60 61.262 -6.407 11.885 1.00 0.00 N ATOM 824 CA PRO A 60 60.410 -5.958 13.013 1.00 0.00 C ATOM 825 C PRO A 60 60.813 -4.547 13.452 1.00 0.00 C ATOM 826 O PRO A 60 60.207 -3.959 14.326 1.00 0.00 O ATOM 827 CB PRO A 60 60.712 -6.970 14.113 1.00 0.00 C ATOM 828 CG PRO A 60 62.078 -7.495 13.798 1.00 0.00 C ATOM 829 CD PRO A 60 62.267 -7.389 12.306 1.00 0.00 C ATOM 0 HA PRO A 60 59.351 -5.912 12.760 1.00 0.00 H new ATOM 0 HB2 PRO A 60 60.687 -6.501 15.097 1.00 0.00 H new ATOM 0 HB3 PRO A 60 59.974 -7.772 14.123 1.00 0.00 H new ATOM 0 HG2 PRO A 60 62.841 -6.921 14.324 1.00 0.00 H new ATOM 0 HG3 PRO A 60 62.177 -8.530 14.125 1.00 0.00 H new ATOM 0 HD2 PRO A 60 63.275 -7.060 12.055 1.00 0.00 H new ATOM 0 HD3 PRO A 60 62.114 -8.351 11.816 1.00 0.00 H new ATOM 837 N GLY A 61 61.835 -4.001 12.853 1.00 0.00 N ATOM 838 CA GLY A 61 62.281 -2.631 13.231 1.00 0.00 C ATOM 839 C GLY A 61 63.153 -2.061 12.114 1.00 0.00 C ATOM 840 O GLY A 61 64.019 -1.240 12.344 1.00 0.00 O ATOM 0 H GLY A 61 62.382 -4.446 12.116 1.00 0.00 H new ATOM 0 HA2 GLY A 61 61.417 -1.988 13.399 1.00 0.00 H new ATOM 0 HA3 GLY A 61 62.841 -2.663 14.166 1.00 0.00 H new ATOM 844 N CYS A 62 62.937 -2.496 10.905 1.00 0.00 N ATOM 845 CA CYS A 62 63.759 -1.985 9.773 1.00 0.00 C ATOM 846 C CYS A 62 63.633 -0.464 9.664 1.00 0.00 C ATOM 847 O CYS A 62 62.576 0.103 9.850 1.00 0.00 O ATOM 848 CB CYS A 62 63.195 -2.662 8.523 1.00 0.00 C ATOM 849 SG CYS A 62 64.524 -3.547 7.668 1.00 0.00 S ATOM 0 H CYS A 62 62.227 -3.183 10.651 1.00 0.00 H new ATOM 0 HA CYS A 62 64.818 -2.205 9.909 1.00 0.00 H new ATOM 0 HB2 CYS A 62 62.400 -3.355 8.798 1.00 0.00 H new ATOM 0 HB3 CYS A 62 62.754 -1.918 7.860 1.00 0.00 H new ATOM 854 N LYS A 63 64.716 0.195 9.363 1.00 0.00 N ATOM 855 CA LYS A 63 64.691 1.679 9.237 1.00 0.00 C ATOM 856 C LYS A 63 65.773 2.118 8.251 1.00 0.00 C ATOM 857 O LYS A 63 66.946 1.902 8.477 1.00 0.00 O ATOM 858 CB LYS A 63 65.010 2.194 10.640 1.00 0.00 C ATOM 859 CG LYS A 63 65.080 3.721 10.625 1.00 0.00 C ATOM 860 CD LYS A 63 64.749 4.258 12.019 1.00 0.00 C ATOM 861 CE LYS A 63 66.045 4.456 12.810 1.00 0.00 C ATOM 862 NZ LYS A 63 66.128 5.924 13.048 1.00 0.00 N ATOM 0 H LYS A 63 65.626 -0.235 9.197 1.00 0.00 H new ATOM 0 HA LYS A 63 63.737 2.059 8.872 1.00 0.00 H new ATOM 0 HB2 LYS A 63 64.245 1.862 11.342 1.00 0.00 H new ATOM 0 HB3 LYS A 63 65.958 1.780 10.983 1.00 0.00 H new ATOM 0 HG2 LYS A 63 66.075 4.048 10.324 1.00 0.00 H new ATOM 0 HG3 LYS A 63 64.379 4.121 9.893 1.00 0.00 H new ATOM 0 HD2 LYS A 63 64.212 5.203 11.938 1.00 0.00 H new ATOM 0 HD3 LYS A 63 64.093 3.562 12.542 1.00 0.00 H new ATOM 0 HE2 LYS A 63 66.023 3.904 13.750 1.00 0.00 H new ATOM 0 HE3 LYS A 63 66.908 4.097 12.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 66.991 6.140 13.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 66.154 6.423 12.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 65.296 6.236 13.589 1.00 0.00 H new ATOM 876 N ILE A 64 65.400 2.718 7.153 1.00 0.00 N ATOM 877 CA ILE A 64 66.436 3.141 6.168 1.00 0.00 C ATOM 878 C ILE A 64 66.255 4.608 5.771 1.00 0.00 C ATOM 879 O ILE A 64 65.154 5.115 5.702 1.00 0.00 O ATOM 880 CB ILE A 64 66.238 2.231 4.954 1.00 0.00 C ATOM 881 CG1 ILE A 64 65.953 0.801 5.418 1.00 0.00 C ATOM 882 CG2 ILE A 64 67.507 2.241 4.101 1.00 0.00 C ATOM 883 CD1 ILE A 64 64.443 0.606 5.568 1.00 0.00 C ATOM 0 H ILE A 64 64.436 2.931 6.897 1.00 0.00 H new ATOM 0 HA ILE A 64 67.439 3.056 6.585 1.00 0.00 H new ATOM 0 HB ILE A 64 65.395 2.594 4.366 1.00 0.00 H new ATOM 0 HG12 ILE A 64 66.353 0.087 4.698 1.00 0.00 H new ATOM 0 HG13 ILE A 64 66.452 0.609 6.368 1.00 0.00 H new ATOM 0 HG21 ILE A 64 67.369 1.593 3.235 1.00 0.00 H new ATOM 0 HG22 ILE A 64 67.711 3.257 3.765 1.00 0.00 H new ATOM 0 HG23 ILE A 64 68.347 1.879 4.694 1.00 0.00 H new ATOM 0 HD11 ILE A 64 64.239 -0.412 5.898 1.00 0.00 H new ATOM 0 HD12 ILE A 64 64.056 1.311 6.304 1.00 0.00 H new ATOM 0 HD13 ILE A 64 63.956 0.780 4.608 1.00 0.00 H new ATOM 895 N SER A 65 67.338 5.290 5.496 1.00 0.00 N ATOM 896 CA SER A 65 67.242 6.719 5.089 1.00 0.00 C ATOM 897 C SER A 65 68.296 7.037 4.022 1.00 0.00 C ATOM 898 O SER A 65 69.484 7.037 4.285 1.00 0.00 O ATOM 899 CB SER A 65 67.491 7.526 6.361 1.00 0.00 C ATOM 900 OG SER A 65 68.758 8.165 6.277 1.00 0.00 O ATOM 0 H SER A 65 68.286 4.915 5.537 1.00 0.00 H new ATOM 0 HA SER A 65 66.271 6.956 4.654 1.00 0.00 H new ATOM 0 HB2 SER A 65 66.705 8.270 6.492 1.00 0.00 H new ATOM 0 HB3 SER A 65 67.459 6.871 7.232 1.00 0.00 H new ATOM 0 HG SER A 65 69.433 7.516 5.989 1.00 0.00 H new ATOM 906 N THR A 66 67.861 7.303 2.822 1.00 0.00 N ATOM 907 CA THR A 66 68.814 7.622 1.718 1.00 0.00 C ATOM 908 C THR A 66 69.905 6.553 1.605 1.00 0.00 C ATOM 909 O THR A 66 71.083 6.840 1.677 1.00 0.00 O ATOM 910 CB THR A 66 69.425 8.974 2.079 1.00 0.00 C ATOM 911 OG1 THR A 66 68.389 9.889 2.409 1.00 0.00 O ATOM 912 CG2 THR A 66 70.214 9.500 0.879 1.00 0.00 C ATOM 0 H THR A 66 66.877 7.314 2.555 1.00 0.00 H new ATOM 0 HA THR A 66 68.307 7.650 0.753 1.00 0.00 H new ATOM 0 HB THR A 66 70.091 8.863 2.935 1.00 0.00 H new ATOM 0 HG1 THR A 66 67.763 9.960 1.658 1.00 0.00 H new ATOM 0 HG21 THR A 66 70.654 10.466 1.128 1.00 0.00 H new ATOM 0 HG22 THR A 66 71.006 8.795 0.627 1.00 0.00 H new ATOM 0 HG23 THR A 66 69.545 9.615 0.026 1.00 0.00 H new ATOM 920 N CYS A 67 69.516 5.326 1.410 1.00 0.00 N ATOM 921 CA CYS A 67 70.526 4.231 1.269 1.00 0.00 C ATOM 922 C CYS A 67 70.544 3.712 -0.172 1.00 0.00 C ATOM 923 O CYS A 67 69.519 3.368 -0.726 1.00 0.00 O ATOM 924 CB CYS A 67 70.063 3.118 2.210 1.00 0.00 C ATOM 925 SG CYS A 67 71.499 2.179 2.779 1.00 0.00 S ATOM 0 H CYS A 67 68.543 5.029 1.341 1.00 0.00 H new ATOM 0 HA CYS A 67 71.531 4.579 1.509 1.00 0.00 H new ATOM 0 HB2 CYS A 67 69.532 3.544 3.061 1.00 0.00 H new ATOM 0 HB3 CYS A 67 69.364 2.459 1.696 1.00 0.00 H new ATOM 930 N ILE A 68 71.696 3.629 -0.777 1.00 0.00 N ATOM 931 CA ILE A 68 71.762 3.103 -2.172 1.00 0.00 C ATOM 932 C ILE A 68 71.882 1.587 -2.116 1.00 0.00 C ATOM 933 O ILE A 68 72.956 1.038 -1.987 1.00 0.00 O ATOM 934 CB ILE A 68 73.008 3.726 -2.793 1.00 0.00 C ATOM 935 CG1 ILE A 68 72.709 5.177 -3.153 1.00 0.00 C ATOM 936 CG2 ILE A 68 73.394 2.953 -4.056 1.00 0.00 C ATOM 937 CD1 ILE A 68 72.549 5.975 -1.864 1.00 0.00 C ATOM 0 H ILE A 68 72.591 3.901 -0.370 1.00 0.00 H new ATOM 0 HA ILE A 68 70.877 3.348 -2.759 1.00 0.00 H new ATOM 0 HB ILE A 68 73.834 3.685 -2.083 1.00 0.00 H new ATOM 0 HG12 ILE A 68 73.517 5.591 -3.756 1.00 0.00 H new ATOM 0 HG13 ILE A 68 71.800 5.239 -3.751 1.00 0.00 H new ATOM 0 HG21 ILE A 68 74.284 3.400 -4.498 1.00 0.00 H new ATOM 0 HG22 ILE A 68 73.599 1.914 -3.798 1.00 0.00 H new ATOM 0 HG23 ILE A 68 72.574 2.994 -4.773 1.00 0.00 H new ATOM 0 HD11 ILE A 68 72.335 7.016 -2.105 1.00 0.00 H new ATOM 0 HD12 ILE A 68 71.727 5.561 -1.279 1.00 0.00 H new ATOM 0 HD13 ILE A 68 73.471 5.919 -1.285 1.00 0.00 H new ATOM 949 N ILE A 69 70.779 0.907 -2.182 1.00 0.00 N ATOM 950 CA ILE A 69 70.815 -0.577 -2.100 1.00 0.00 C ATOM 951 C ILE A 69 70.539 -1.197 -3.474 1.00 0.00 C ATOM 952 O ILE A 69 69.831 -0.639 -4.290 1.00 0.00 O ATOM 953 CB ILE A 69 69.712 -0.937 -1.102 1.00 0.00 C ATOM 954 CG1 ILE A 69 69.762 0.024 0.099 1.00 0.00 C ATOM 955 CG2 ILE A 69 69.915 -2.371 -0.612 1.00 0.00 C ATOM 956 CD1 ILE A 69 68.467 -0.092 0.899 1.00 0.00 C ATOM 0 H ILE A 69 69.850 1.314 -2.290 1.00 0.00 H new ATOM 0 HA ILE A 69 71.788 -0.954 -1.785 1.00 0.00 H new ATOM 0 HB ILE A 69 68.743 -0.851 -1.593 1.00 0.00 H new ATOM 0 HG12 ILE A 69 70.616 -0.214 0.733 1.00 0.00 H new ATOM 0 HG13 ILE A 69 69.897 1.049 -0.247 1.00 0.00 H new ATOM 0 HG21 ILE A 69 69.129 -2.627 0.099 1.00 0.00 H new ATOM 0 HG22 ILE A 69 69.874 -3.055 -1.460 1.00 0.00 H new ATOM 0 HG23 ILE A 69 70.886 -2.455 -0.125 1.00 0.00 H new ATOM 0 HD11 ILE A 69 68.503 0.589 1.750 1.00 0.00 H new ATOM 0 HD12 ILE A 69 67.621 0.167 0.262 1.00 0.00 H new ATOM 0 HD13 ILE A 69 68.351 -1.115 1.257 1.00 0.00 H new ATOM 968 N THR A 70 71.100 -2.348 -3.738 1.00 0.00 N ATOM 969 CA THR A 70 70.878 -3.002 -5.061 1.00 0.00 C ATOM 970 C THR A 70 71.094 -4.515 -4.961 1.00 0.00 C ATOM 971 O THR A 70 72.212 -4.987 -4.919 1.00 0.00 O ATOM 972 CB THR A 70 71.929 -2.386 -5.984 1.00 0.00 C ATOM 973 OG1 THR A 70 71.551 -1.057 -6.314 1.00 0.00 O ATOM 974 CG2 THR A 70 72.037 -3.221 -7.262 1.00 0.00 C ATOM 0 H THR A 70 71.702 -2.863 -3.095 1.00 0.00 H new ATOM 0 HA THR A 70 69.861 -2.849 -5.423 1.00 0.00 H new ATOM 0 HB THR A 70 72.894 -2.372 -5.478 1.00 0.00 H new ATOM 0 HG1 THR A 70 70.581 -1.017 -6.450 1.00 0.00 H new ATOM 0 HG21 THR A 70 72.786 -2.782 -7.921 1.00 0.00 H new ATOM 0 HG22 THR A 70 72.329 -4.240 -7.007 1.00 0.00 H new ATOM 0 HG23 THR A 70 71.072 -3.236 -7.769 1.00 0.00 H new ATOM 982 N GLY A 71 70.038 -5.281 -4.939 1.00 0.00 N ATOM 983 CA GLY A 71 70.202 -6.759 -4.857 1.00 0.00 C ATOM 984 C GLY A 71 70.221 -7.200 -3.395 1.00 0.00 C ATOM 985 O GLY A 71 70.775 -8.227 -3.053 1.00 0.00 O ATOM 0 H GLY A 71 69.074 -4.949 -4.974 1.00 0.00 H new ATOM 0 HA2 GLY A 71 69.387 -7.254 -5.385 1.00 0.00 H new ATOM 0 HA3 GLY A 71 71.128 -7.059 -5.348 1.00 0.00 H new ATOM 989 N GLY A 72 69.629 -6.433 -2.526 1.00 0.00 N ATOM 990 CA GLY A 72 69.623 -6.813 -1.086 1.00 0.00 C ATOM 991 C GLY A 72 70.937 -6.360 -0.447 1.00 0.00 C ATOM 992 O GLY A 72 71.320 -6.819 0.611 1.00 0.00 O ATOM 0 H GLY A 72 69.149 -5.561 -2.748 1.00 0.00 H new ATOM 0 HA2 GLY A 72 68.777 -6.350 -0.578 1.00 0.00 H new ATOM 0 HA3 GLY A 72 69.506 -7.892 -0.982 1.00 0.00 H new ATOM 996 N VAL A 73 71.635 -5.471 -1.097 1.00 0.00 N ATOM 997 CA VAL A 73 72.937 -4.990 -0.546 1.00 0.00 C ATOM 998 C VAL A 73 72.933 -3.464 -0.400 1.00 0.00 C ATOM 999 O VAL A 73 72.632 -2.756 -1.339 1.00 0.00 O ATOM 1000 CB VAL A 73 73.970 -5.404 -1.589 1.00 0.00 C ATOM 1001 CG1 VAL A 73 73.845 -6.901 -1.874 1.00 0.00 C ATOM 1002 CG2 VAL A 73 73.716 -4.618 -2.876 1.00 0.00 C ATOM 0 H VAL A 73 71.361 -5.055 -1.987 1.00 0.00 H new ATOM 0 HA VAL A 73 73.140 -5.404 0.441 1.00 0.00 H new ATOM 0 HB VAL A 73 74.972 -5.194 -1.216 1.00 0.00 H new ATOM 0 HG11 VAL A 73 74.585 -7.192 -2.620 1.00 0.00 H new ATOM 0 HG12 VAL A 73 74.016 -7.462 -0.955 1.00 0.00 H new ATOM 0 HG13 VAL A 73 72.845 -7.117 -2.251 1.00 0.00 H new ATOM 0 HG21 VAL A 73 74.449 -4.906 -3.629 1.00 0.00 H new ATOM 0 HG22 VAL A 73 72.713 -4.836 -3.244 1.00 0.00 H new ATOM 0 HG23 VAL A 73 73.804 -3.551 -2.674 1.00 0.00 H new ATOM 1012 N PRO A 74 73.285 -3.008 0.774 1.00 0.00 N ATOM 1013 CA PRO A 74 73.336 -1.552 1.040 1.00 0.00 C ATOM 1014 C PRO A 74 74.658 -0.963 0.529 1.00 0.00 C ATOM 1015 O PRO A 74 75.722 -1.475 0.812 1.00 0.00 O ATOM 1016 CB PRO A 74 73.269 -1.468 2.561 1.00 0.00 C ATOM 1017 CG PRO A 74 73.801 -2.779 3.061 1.00 0.00 C ATOM 1018 CD PRO A 74 73.657 -3.797 1.952 1.00 0.00 C ATOM 0 HA PRO A 74 72.538 -0.997 0.546 1.00 0.00 H new ATOM 0 HB2 PRO A 74 73.865 -0.635 2.934 1.00 0.00 H new ATOM 0 HB3 PRO A 74 72.246 -1.305 2.900 1.00 0.00 H new ATOM 0 HG2 PRO A 74 74.846 -2.679 3.353 1.00 0.00 H new ATOM 0 HG3 PRO A 74 73.252 -3.100 3.946 1.00 0.00 H new ATOM 0 HD2 PRO A 74 74.588 -4.340 1.788 1.00 0.00 H new ATOM 0 HD3 PRO A 74 72.894 -4.538 2.190 1.00 0.00 H new ATOM 1026 N ALA A 75 74.602 0.108 -0.216 1.00 0.00 N ATOM 1027 CA ALA A 75 75.862 0.721 -0.732 1.00 0.00 C ATOM 1028 C ALA A 75 76.348 1.812 0.225 1.00 0.00 C ATOM 1029 O ALA A 75 75.555 2.488 0.849 1.00 0.00 O ATOM 1030 CB ALA A 75 75.490 1.336 -2.082 1.00 0.00 C ATOM 0 H ALA A 75 73.742 0.584 -0.489 1.00 0.00 H new ATOM 0 HA ALA A 75 76.663 -0.012 -0.824 1.00 0.00 H new ATOM 0 HB1 ALA A 75 76.369 1.806 -2.522 1.00 0.00 H new ATOM 0 HB2 ALA A 75 75.124 0.555 -2.749 1.00 0.00 H new ATOM 0 HB3 ALA A 75 74.711 2.085 -1.938 1.00 0.00 H new ATOM 1036 N PRO A 76 77.644 1.952 0.301 1.00 0.00 N ATOM 1037 CA PRO A 76 78.244 2.979 1.182 1.00 0.00 C ATOM 1038 C PRO A 76 78.059 4.366 0.562 1.00 0.00 C ATOM 1039 O PRO A 76 78.763 4.748 -0.350 1.00 0.00 O ATOM 1040 CB PRO A 76 79.718 2.591 1.233 1.00 0.00 C ATOM 1041 CG PRO A 76 79.963 1.824 -0.027 1.00 0.00 C ATOM 1042 CD PRO A 76 78.660 1.176 -0.418 1.00 0.00 C ATOM 0 HA PRO A 76 77.793 3.022 2.173 1.00 0.00 H new ATOM 0 HB2 PRO A 76 80.356 3.473 1.288 1.00 0.00 H new ATOM 0 HB3 PRO A 76 79.936 1.985 2.112 1.00 0.00 H new ATOM 0 HG2 PRO A 76 80.315 2.486 -0.818 1.00 0.00 H new ATOM 0 HG3 PRO A 76 80.736 1.071 0.126 1.00 0.00 H new ATOM 0 HD2 PRO A 76 78.503 1.216 -1.496 1.00 0.00 H new ATOM 0 HD3 PRO A 76 78.636 0.125 -0.131 1.00 0.00 H new ATOM 1050 N SER A 77 77.104 5.115 1.040 1.00 0.00 N ATOM 1051 CA SER A 77 76.858 6.469 0.470 1.00 0.00 C ATOM 1052 C SER A 77 77.221 7.557 1.483 1.00 0.00 C ATOM 1053 O SER A 77 77.172 8.735 1.187 1.00 0.00 O ATOM 1054 CB SER A 77 75.359 6.497 0.181 1.00 0.00 C ATOM 1055 OG SER A 77 74.997 7.784 -0.301 1.00 0.00 O ATOM 0 H SER A 77 76.482 4.847 1.803 1.00 0.00 H new ATOM 0 HA SER A 77 77.460 6.656 -0.419 1.00 0.00 H new ATOM 0 HB2 SER A 77 75.105 5.735 -0.556 1.00 0.00 H new ATOM 0 HB3 SER A 77 74.798 6.264 1.086 1.00 0.00 H new ATOM 0 HG SER A 77 75.685 8.434 -0.047 1.00 0.00 H new ATOM 1061 N ALA A 78 77.565 7.176 2.683 1.00 0.00 N ATOM 1062 CA ALA A 78 77.909 8.192 3.723 1.00 0.00 C ATOM 1063 C ALA A 78 76.640 8.940 4.150 1.00 0.00 C ATOM 1064 O ALA A 78 76.683 9.856 4.947 1.00 0.00 O ATOM 1065 CB ALA A 78 78.898 9.146 3.051 1.00 0.00 C ATOM 0 H ALA A 78 77.623 6.205 2.990 1.00 0.00 H new ATOM 0 HA ALA A 78 78.338 7.742 4.618 1.00 0.00 H new ATOM 0 HB1 ALA A 78 79.195 9.920 3.759 1.00 0.00 H new ATOM 0 HB2 ALA A 78 79.779 8.590 2.731 1.00 0.00 H new ATOM 0 HB3 ALA A 78 78.426 9.608 2.184 1.00 0.00 H new ATOM 1071 N ALA A 79 75.511 8.545 3.627 1.00 0.00 N ATOM 1072 CA ALA A 79 74.232 9.212 3.995 1.00 0.00 C ATOM 1073 C ALA A 79 73.236 8.160 4.488 1.00 0.00 C ATOM 1074 O ALA A 79 72.435 8.408 5.367 1.00 0.00 O ATOM 1075 CB ALA A 79 73.735 9.861 2.703 1.00 0.00 C ATOM 0 H ALA A 79 75.421 7.783 2.955 1.00 0.00 H new ATOM 0 HA ALA A 79 74.353 9.947 4.791 1.00 0.00 H new ATOM 0 HB1 ALA A 79 72.793 10.375 2.893 1.00 0.00 H new ATOM 0 HB2 ALA A 79 74.475 10.579 2.349 1.00 0.00 H new ATOM 0 HB3 ALA A 79 73.583 9.093 1.945 1.00 0.00 H new ATOM 1081 N CYS A 80 73.292 6.983 3.926 1.00 0.00 N ATOM 1082 CA CYS A 80 72.363 5.902 4.356 1.00 0.00 C ATOM 1083 C CYS A 80 72.300 5.859 5.890 1.00 0.00 C ATOM 1084 O CYS A 80 73.078 6.501 6.567 1.00 0.00 O ATOM 1085 CB CYS A 80 72.970 4.623 3.772 1.00 0.00 C ATOM 1086 SG CYS A 80 72.106 3.174 4.424 1.00 0.00 S ATOM 0 H CYS A 80 73.944 6.724 3.185 1.00 0.00 H new ATOM 0 HA CYS A 80 71.339 6.045 4.012 1.00 0.00 H new ATOM 0 HB2 CYS A 80 72.898 4.640 2.684 1.00 0.00 H new ATOM 0 HB3 CYS A 80 74.030 4.567 4.021 1.00 0.00 H new ATOM 1091 N LYS A 81 71.359 5.142 6.445 1.00 0.00 N ATOM 1092 CA LYS A 81 71.229 5.101 7.936 1.00 0.00 C ATOM 1093 C LYS A 81 71.914 3.872 8.548 1.00 0.00 C ATOM 1094 O LYS A 81 71.765 3.622 9.726 1.00 0.00 O ATOM 1095 CB LYS A 81 69.715 5.049 8.184 1.00 0.00 C ATOM 1096 CG LYS A 81 69.214 3.593 8.175 1.00 0.00 C ATOM 1097 CD LYS A 81 69.660 2.886 6.886 1.00 0.00 C ATOM 1098 CE LYS A 81 69.301 1.397 6.960 1.00 0.00 C ATOM 1099 NZ LYS A 81 70.337 0.713 6.138 1.00 0.00 N ATOM 0 H LYS A 81 70.675 4.583 5.934 1.00 0.00 H new ATOM 0 HA LYS A 81 71.712 5.961 8.400 1.00 0.00 H new ATOM 0 HB2 LYS A 81 69.482 5.514 9.142 1.00 0.00 H new ATOM 0 HB3 LYS A 81 69.195 5.623 7.417 1.00 0.00 H new ATOM 0 HG2 LYS A 81 69.603 3.061 9.043 1.00 0.00 H new ATOM 0 HG3 LYS A 81 68.127 3.574 8.251 1.00 0.00 H new ATOM 0 HD2 LYS A 81 69.176 3.344 6.023 1.00 0.00 H new ATOM 0 HD3 LYS A 81 70.735 3.004 6.749 1.00 0.00 H new ATOM 0 HE2 LYS A 81 69.313 1.038 7.989 1.00 0.00 H new ATOM 0 HE3 LYS A 81 68.300 1.212 6.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 69.882 0.010 5.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 70.836 1.415 5.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 71.017 0.236 6.764 1.00 0.00 H new ATOM 1113 N ILE A 82 72.635 3.115 7.753 1.00 0.00 N ATOM 1114 CA ILE A 82 73.333 1.873 8.241 1.00 0.00 C ATOM 1115 C ILE A 82 73.239 1.702 9.762 1.00 0.00 C ATOM 1116 O ILE A 82 74.197 1.905 10.480 1.00 0.00 O ATOM 1117 CB ILE A 82 74.786 2.055 7.813 1.00 0.00 C ATOM 1118 CG1 ILE A 82 74.866 2.073 6.284 1.00 0.00 C ATOM 1119 CG2 ILE A 82 75.629 0.901 8.359 1.00 0.00 C ATOM 1120 CD1 ILE A 82 74.053 0.910 5.707 1.00 0.00 C ATOM 0 H ILE A 82 72.774 3.309 6.761 1.00 0.00 H new ATOM 0 HA ILE A 82 72.873 0.977 7.824 1.00 0.00 H new ATOM 0 HB ILE A 82 75.167 2.997 8.208 1.00 0.00 H new ATOM 0 HG12 ILE A 82 74.484 3.020 5.902 1.00 0.00 H new ATOM 0 HG13 ILE A 82 75.905 1.996 5.964 1.00 0.00 H new ATOM 0 HG21 ILE A 82 76.667 1.032 8.053 1.00 0.00 H new ATOM 0 HG22 ILE A 82 75.570 0.891 9.447 1.00 0.00 H new ATOM 0 HG23 ILE A 82 75.251 -0.043 7.966 1.00 0.00 H new ATOM 0 HD11 ILE A 82 74.114 0.928 4.619 1.00 0.00 H new ATOM 0 HD12 ILE A 82 74.454 -0.033 6.077 1.00 0.00 H new ATOM 0 HD13 ILE A 82 73.012 1.007 6.014 1.00 0.00 H new ATOM 1132 N SER A 83 72.087 1.328 10.257 1.00 0.00 N ATOM 1133 CA SER A 83 71.930 1.144 11.729 1.00 0.00 C ATOM 1134 C SER A 83 71.422 -0.268 12.025 1.00 0.00 C ATOM 1135 O SER A 83 71.990 -0.992 12.819 1.00 0.00 O ATOM 1136 CB SER A 83 70.893 2.186 12.151 1.00 0.00 C ATOM 1137 OG SER A 83 70.688 2.103 13.556 1.00 0.00 O ATOM 0 H SER A 83 71.250 1.142 9.705 1.00 0.00 H new ATOM 0 HA SER A 83 72.870 1.267 12.267 1.00 0.00 H new ATOM 0 HB2 SER A 83 71.234 3.185 11.880 1.00 0.00 H new ATOM 0 HB3 SER A 83 69.954 2.016 11.624 1.00 0.00 H new ATOM 0 HG SER A 83 70.025 2.771 13.830 1.00 0.00 H new ATOM 1143 N GLY A 84 70.356 -0.662 11.387 1.00 0.00 N ATOM 1144 CA GLY A 84 69.807 -2.026 11.621 1.00 0.00 C ATOM 1145 C GLY A 84 69.169 -2.539 10.332 1.00 0.00 C ATOM 1146 O GLY A 84 69.834 -2.748 9.336 1.00 0.00 O ATOM 0 H GLY A 84 69.840 -0.097 10.712 1.00 0.00 H new ATOM 0 HA2 GLY A 84 70.601 -2.701 11.941 1.00 0.00 H new ATOM 0 HA3 GLY A 84 69.068 -2.001 12.422 1.00 0.00 H new ATOM 1150 N CYS A 85 67.882 -2.737 10.341 1.00 0.00 N ATOM 1151 CA CYS A 85 67.197 -3.229 9.115 1.00 0.00 C ATOM 1152 C CYS A 85 68.008 -4.361 8.482 1.00 0.00 C ATOM 1153 O CYS A 85 68.931 -4.884 9.075 1.00 0.00 O ATOM 1154 CB CYS A 85 67.164 -2.012 8.184 1.00 0.00 C ATOM 1155 SG CYS A 85 65.763 -2.085 7.018 1.00 0.00 S ATOM 0 H CYS A 85 67.274 -2.579 11.145 1.00 0.00 H new ATOM 0 HA CYS A 85 66.202 -3.624 9.318 1.00 0.00 H new ATOM 0 HB2 CYS A 85 67.094 -1.102 8.779 1.00 0.00 H new ATOM 0 HB3 CYS A 85 68.098 -1.957 7.626 1.00 0.00 H new ATOM 1160 N THR A 86 67.676 -4.735 7.278 1.00 0.00 N ATOM 1161 CA THR A 86 68.434 -5.824 6.602 1.00 0.00 C ATOM 1162 C THR A 86 67.794 -6.166 5.262 1.00 0.00 C ATOM 1163 O THR A 86 66.587 -6.216 5.129 1.00 0.00 O ATOM 1164 CB THR A 86 68.359 -7.027 7.538 1.00 0.00 C ATOM 1165 OG1 THR A 86 68.708 -8.203 6.821 1.00 0.00 O ATOM 1166 CG2 THR A 86 66.938 -7.171 8.093 1.00 0.00 C ATOM 0 H THR A 86 66.913 -4.334 6.733 1.00 0.00 H new ATOM 0 HA THR A 86 69.464 -5.528 6.404 1.00 0.00 H new ATOM 0 HB THR A 86 69.052 -6.881 8.366 1.00 0.00 H new ATOM 0 HG1 THR A 86 68.662 -8.977 7.420 1.00 0.00 H new ATOM 0 HG21 THR A 86 66.893 -8.032 8.760 1.00 0.00 H new ATOM 0 HG22 THR A 86 66.670 -6.270 8.645 1.00 0.00 H new ATOM 0 HG23 THR A 86 66.238 -7.314 7.269 1.00 0.00 H new ATOM 1174 N PHE A 87 68.595 -6.414 4.270 1.00 0.00 N ATOM 1175 CA PHE A 87 68.035 -6.768 2.935 1.00 0.00 C ATOM 1176 C PHE A 87 68.436 -8.200 2.571 1.00 0.00 C ATOM 1177 O PHE A 87 69.260 -8.809 3.223 1.00 0.00 O ATOM 1178 CB PHE A 87 68.656 -5.795 1.926 1.00 0.00 C ATOM 1179 CG PHE A 87 68.735 -4.388 2.481 1.00 0.00 C ATOM 1180 CD1 PHE A 87 67.814 -3.936 3.439 1.00 0.00 C ATOM 1181 CD2 PHE A 87 69.741 -3.529 2.022 1.00 0.00 C ATOM 1182 CE1 PHE A 87 67.905 -2.625 3.935 1.00 0.00 C ATOM 1183 CE2 PHE A 87 69.828 -2.222 2.517 1.00 0.00 C ATOM 1184 CZ PHE A 87 68.912 -1.772 3.471 1.00 0.00 C ATOM 0 H PHE A 87 69.613 -6.388 4.322 1.00 0.00 H new ATOM 0 HA PHE A 87 66.947 -6.702 2.935 1.00 0.00 H new ATOM 0 HB2 PHE A 87 69.656 -6.137 1.658 1.00 0.00 H new ATOM 0 HB3 PHE A 87 68.064 -5.793 1.011 1.00 0.00 H new ATOM 0 HD1 PHE A 87 67.036 -4.596 3.794 1.00 0.00 H new ATOM 0 HD2 PHE A 87 70.451 -3.875 1.285 1.00 0.00 H new ATOM 0 HE1 PHE A 87 67.199 -2.276 4.674 1.00 0.00 H new ATOM 0 HE2 PHE A 87 70.604 -1.561 2.161 1.00 0.00 H new ATOM 0 HZ PHE A 87 68.981 -0.763 3.851 1.00 0.00 H new ATOM 1194 N SER A 88 67.868 -8.734 1.526 1.00 0.00 N ATOM 1195 CA SER A 88 68.223 -10.120 1.106 1.00 0.00 C ATOM 1196 C SER A 88 67.712 -10.374 -0.312 1.00 0.00 C ATOM 1197 O SER A 88 67.452 -11.496 -0.700 1.00 0.00 O ATOM 1198 CB SER A 88 67.517 -11.038 2.101 1.00 0.00 C ATOM 1199 OG SER A 88 67.743 -10.566 3.423 1.00 0.00 O ATOM 0 H SER A 88 67.172 -8.270 0.943 1.00 0.00 H new ATOM 0 HA SER A 88 69.300 -10.289 1.100 1.00 0.00 H new ATOM 0 HB2 SER A 88 66.448 -11.066 1.891 1.00 0.00 H new ATOM 0 HB3 SER A 88 67.889 -12.058 1.999 1.00 0.00 H new ATOM 0 HG SER A 88 68.683 -10.308 3.522 1.00 0.00 H new ATOM 1205 N ALA A 89 67.562 -9.335 -1.088 1.00 0.00 N ATOM 1206 CA ALA A 89 67.063 -9.507 -2.480 1.00 0.00 C ATOM 1207 C ALA A 89 65.728 -10.257 -2.468 1.00 0.00 C ATOM 1208 O ALA A 89 65.679 -11.457 -2.645 1.00 0.00 O ATOM 1209 CB ALA A 89 68.137 -10.331 -3.190 1.00 0.00 C ATOM 0 H ALA A 89 67.764 -8.373 -0.816 1.00 0.00 H new ATOM 0 HA ALA A 89 66.890 -8.554 -2.979 1.00 0.00 H new ATOM 0 HB1 ALA A 89 67.841 -10.500 -4.225 1.00 0.00 H new ATOM 0 HB2 ALA A 89 69.084 -9.791 -3.167 1.00 0.00 H new ATOM 0 HB3 ALA A 89 68.253 -11.290 -2.685 1.00 0.00 H new ATOM 1215 N ASN A 90 64.646 -9.558 -2.253 1.00 0.00 N ATOM 1216 CA ASN A 90 63.317 -10.233 -2.222 1.00 0.00 C ATOM 1217 C ASN A 90 63.013 -10.873 -3.582 1.00 0.00 C ATOM 1218 O ASN A 90 63.777 -10.646 -4.506 1.00 0.00 O ATOM 1219 CB ASN A 90 62.315 -9.117 -1.891 1.00 0.00 C ATOM 1220 CG ASN A 90 61.872 -8.400 -3.171 1.00 0.00 C ATOM 1221 OD1 ASN A 90 60.692 -8.238 -3.411 1.00 0.00 O ATOM 1222 ND2 ASN A 90 62.773 -7.962 -4.007 1.00 0.00 N ATOM 1223 OXT ASN A 90 62.021 -11.577 -3.675 1.00 0.00 O ATOM 0 H ASN A 90 64.625 -8.550 -2.098 1.00 0.00 H new ATOM 0 HA ASN A 90 63.274 -11.039 -1.490 1.00 0.00 H new ATOM 0 HB2 ASN A 90 61.447 -9.538 -1.383 1.00 0.00 H new ATOM 0 HB3 ASN A 90 62.770 -8.402 -1.205 1.00 0.00 H new ATOM 0 HD21 ASN A 90 62.487 -7.484 -4.861 1.00 0.00 H new ATOM 0 HD22 ASN A 90 63.764 -8.098 -3.806 1.00 0.00 H new TER 1230 ASN A 90