USER MOD reduce.3.24.130724 H: found=0, std=0, add=368, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 366 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 3 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 25:sc= 0.316 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= -0.036 USER MOD Single : A 12 CYS SG : rot 26:sc= 0.0475 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot -130:sc=-0.00348 USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.0456 USER MOD Single : A 18 THR OG1 : rot -170:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ -162:sc= -0.0136 (180deg=-0.18) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 CYS SG : rot -39:sc= 0.0501 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= -2.42 K(o=-2.4,f=-4.1!) USER MOD Single : A 42 ASN :FLIP amide:sc= 0 F(o=-0.6,f=0) USER MOD Single : A 46 ASN : amide:sc= -0.0419 K(o=-0.042,f=-2.1!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 MET CE :methyl 164:sc= -0.0173 (180deg=-0.286) USER MOD Single : A 53 SER OG : rot 102:sc= 0.0255 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 18.830 7.056 -5.027 1.00 0.00 N ATOM 2 CA GLY A 1 18.044 5.836 -5.000 1.00 0.00 C ATOM 3 C GLY A 1 16.963 5.819 -6.063 1.00 0.00 C ATOM 4 O GLY A 1 15.890 6.393 -5.876 1.00 0.00 O ATOM 0 H1 GLY A 1 19.555 7.019 -4.282 1.00 0.00 H new ATOM 0 H2 GLY A 1 19.291 7.151 -5.954 1.00 0.00 H new ATOM 0 H3 GLY A 1 18.208 7.873 -4.864 1.00 0.00 H new ATOM 0 HA2 GLY A 1 18.703 4.980 -5.143 1.00 0.00 H new ATOM 0 HA3 GLY A 1 17.585 5.725 -4.018 1.00 0.00 H new ATOM 8 N SER A 2 17.247 5.161 -7.183 1.00 0.00 N ATOM 9 CA SER A 2 16.293 5.076 -8.282 1.00 0.00 C ATOM 10 C SER A 2 15.391 3.855 -8.126 1.00 0.00 C ATOM 11 O SER A 2 15.819 2.814 -7.629 1.00 0.00 O ATOM 12 CB SER A 2 17.030 5.012 -9.621 1.00 0.00 C ATOM 13 OG SER A 2 16.120 5.048 -10.707 1.00 0.00 O ATOM 0 H SER A 2 18.130 4.679 -7.353 1.00 0.00 H new ATOM 0 HA SER A 2 15.671 5.971 -8.260 1.00 0.00 H new ATOM 0 HB2 SER A 2 17.725 5.848 -9.697 1.00 0.00 H new ATOM 0 HB3 SER A 2 17.623 4.099 -9.670 1.00 0.00 H new ATOM 0 HG SER A 2 16.616 5.008 -11.551 1.00 0.00 H new ATOM 19 N SER A 3 14.140 3.993 -8.554 1.00 0.00 N ATOM 20 CA SER A 3 13.175 2.904 -8.458 1.00 0.00 C ATOM 21 C SER A 3 13.466 1.828 -9.501 1.00 0.00 C ATOM 22 O SER A 3 14.260 2.035 -10.418 1.00 0.00 O ATOM 23 CB SER A 3 11.753 3.436 -8.641 1.00 0.00 C ATOM 24 OG SER A 3 11.612 4.099 -9.886 1.00 0.00 O ATOM 0 H SER A 3 13.771 4.848 -8.970 1.00 0.00 H new ATOM 0 HA SER A 3 13.263 2.459 -7.467 1.00 0.00 H new ATOM 0 HB2 SER A 3 11.043 2.611 -8.582 1.00 0.00 H new ATOM 0 HB3 SER A 3 11.511 4.123 -7.830 1.00 0.00 H new ATOM 0 HG SER A 3 10.694 4.428 -9.979 1.00 0.00 H new ATOM 30 N GLY A 4 12.815 0.678 -9.353 1.00 0.00 N ATOM 31 CA GLY A 4 13.016 -0.413 -10.288 1.00 0.00 C ATOM 32 C GLY A 4 12.209 -0.243 -11.560 1.00 0.00 C ATOM 33 O GLY A 4 11.152 -0.855 -11.719 1.00 0.00 O ATOM 0 H GLY A 4 12.152 0.483 -8.603 1.00 0.00 H new ATOM 0 HA2 GLY A 4 14.074 -0.482 -10.539 1.00 0.00 H new ATOM 0 HA3 GLY A 4 12.741 -1.353 -9.810 1.00 0.00 H new ATOM 37 N SER A 5 12.706 0.590 -12.468 1.00 0.00 N ATOM 38 CA SER A 5 12.021 0.843 -13.730 1.00 0.00 C ATOM 39 C SER A 5 12.973 0.671 -14.909 1.00 0.00 C ATOM 40 O SER A 5 14.085 1.199 -14.906 1.00 0.00 O ATOM 41 CB SER A 5 11.430 2.255 -13.740 1.00 0.00 C ATOM 42 OG SER A 5 12.416 3.223 -13.428 1.00 0.00 O ATOM 0 H SER A 5 13.581 1.102 -12.353 1.00 0.00 H new ATOM 0 HA SER A 5 11.214 0.117 -13.828 1.00 0.00 H new ATOM 0 HB2 SER A 5 11.005 2.468 -14.721 1.00 0.00 H new ATOM 0 HB3 SER A 5 10.615 2.316 -13.019 1.00 0.00 H new ATOM 0 HG SER A 5 12.014 4.116 -13.443 1.00 0.00 H new ATOM 48 N SER A 6 12.528 -0.074 -15.917 1.00 0.00 N ATOM 49 CA SER A 6 13.341 -0.321 -17.102 1.00 0.00 C ATOM 50 C SER A 6 12.496 -0.232 -18.369 1.00 0.00 C ATOM 51 O SER A 6 11.659 -1.095 -18.632 1.00 0.00 O ATOM 52 CB SER A 6 14.005 -1.696 -17.013 1.00 0.00 C ATOM 53 OG SER A 6 14.668 -2.022 -18.223 1.00 0.00 O ATOM 0 H SER A 6 11.609 -0.517 -15.936 1.00 0.00 H new ATOM 0 HA SER A 6 14.115 0.446 -17.148 1.00 0.00 H new ATOM 0 HB2 SER A 6 14.719 -1.706 -16.189 1.00 0.00 H new ATOM 0 HB3 SER A 6 13.253 -2.453 -16.792 1.00 0.00 H new ATOM 0 HG SER A 6 15.085 -2.905 -18.140 1.00 0.00 H new ATOM 59 N GLY A 7 12.722 0.819 -19.151 1.00 0.00 N ATOM 60 CA GLY A 7 11.974 1.003 -20.381 1.00 0.00 C ATOM 61 C GLY A 7 11.833 2.463 -20.761 1.00 0.00 C ATOM 62 O GLY A 7 12.166 3.351 -19.976 1.00 0.00 O ATOM 0 H GLY A 7 13.410 1.546 -18.955 1.00 0.00 H new ATOM 0 HA2 GLY A 7 12.472 0.467 -21.189 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.983 0.563 -20.269 1.00 0.00 H new ATOM 66 N SER A 8 11.339 2.713 -21.970 1.00 0.00 N ATOM 67 CA SER A 8 11.160 4.077 -22.455 1.00 0.00 C ATOM 68 C SER A 8 9.882 4.197 -23.279 1.00 0.00 C ATOM 69 O SER A 8 9.702 3.492 -24.272 1.00 0.00 O ATOM 70 CB SER A 8 12.365 4.503 -23.297 1.00 0.00 C ATOM 71 OG SER A 8 12.535 3.649 -24.414 1.00 0.00 O ATOM 0 H SER A 8 11.056 1.990 -22.631 1.00 0.00 H new ATOM 0 HA SER A 8 11.078 4.736 -21.591 1.00 0.00 H new ATOM 0 HB2 SER A 8 12.230 5.530 -23.638 1.00 0.00 H new ATOM 0 HB3 SER A 8 13.265 4.487 -22.683 1.00 0.00 H new ATOM 0 HG SER A 8 11.675 3.241 -24.647 1.00 0.00 H new ATOM 77 N SER A 9 8.996 5.094 -22.859 1.00 0.00 N ATOM 78 CA SER A 9 7.732 5.305 -23.554 1.00 0.00 C ATOM 79 C SER A 9 7.931 6.176 -24.791 1.00 0.00 C ATOM 80 O SER A 9 8.603 7.206 -24.737 1.00 0.00 O ATOM 81 CB SER A 9 6.712 5.955 -22.617 1.00 0.00 C ATOM 82 OG SER A 9 7.232 7.141 -22.042 1.00 0.00 O ATOM 0 H SER A 9 9.130 5.687 -22.040 1.00 0.00 H new ATOM 0 HA SER A 9 7.354 4.333 -23.872 1.00 0.00 H new ATOM 0 HB2 SER A 9 5.800 6.184 -23.169 1.00 0.00 H new ATOM 0 HB3 SER A 9 6.439 5.254 -21.828 1.00 0.00 H new ATOM 0 HG SER A 9 6.561 7.538 -21.449 1.00 0.00 H new ATOM 88 N SER A 10 7.342 5.754 -25.905 1.00 0.00 N ATOM 89 CA SER A 10 7.457 6.493 -27.157 1.00 0.00 C ATOM 90 C SER A 10 6.354 7.540 -27.273 1.00 0.00 C ATOM 91 O SER A 10 5.194 7.274 -26.958 1.00 0.00 O ATOM 92 CB SER A 10 7.392 5.533 -28.348 1.00 0.00 C ATOM 93 OG SER A 10 8.546 4.713 -28.404 1.00 0.00 O ATOM 0 H SER A 10 6.781 4.905 -25.966 1.00 0.00 H new ATOM 0 HA SER A 10 8.420 7.003 -27.162 1.00 0.00 H new ATOM 0 HB2 SER A 10 6.502 4.909 -28.268 1.00 0.00 H new ATOM 0 HB3 SER A 10 7.301 6.102 -29.273 1.00 0.00 H new ATOM 0 HG SER A 10 8.480 4.108 -29.172 1.00 0.00 H new ATOM 99 N SER A 11 6.725 8.733 -27.728 1.00 0.00 N ATOM 100 CA SER A 11 5.769 9.823 -27.882 1.00 0.00 C ATOM 101 C SER A 11 5.244 9.886 -29.313 1.00 0.00 C ATOM 102 O SER A 11 5.831 9.307 -30.228 1.00 0.00 O ATOM 103 CB SER A 11 6.419 11.156 -27.506 1.00 0.00 C ATOM 104 OG SER A 11 5.467 12.206 -27.511 1.00 0.00 O ATOM 0 H SER A 11 7.680 8.969 -27.996 1.00 0.00 H new ATOM 0 HA SER A 11 4.929 9.635 -27.213 1.00 0.00 H new ATOM 0 HB2 SER A 11 6.873 11.077 -26.518 1.00 0.00 H new ATOM 0 HB3 SER A 11 7.221 11.384 -28.208 1.00 0.00 H new ATOM 0 HG SER A 11 5.906 13.047 -27.266 1.00 0.00 H new ATOM 110 N CYS A 12 4.135 10.594 -29.499 1.00 0.00 N ATOM 111 CA CYS A 12 3.528 10.733 -30.818 1.00 0.00 C ATOM 112 C CYS A 12 3.151 12.185 -31.093 1.00 0.00 C ATOM 113 O CYS A 12 2.684 12.896 -30.202 1.00 0.00 O ATOM 114 CB CYS A 12 2.291 9.842 -30.930 1.00 0.00 C ATOM 115 SG CYS A 12 0.977 10.252 -29.757 1.00 0.00 S ATOM 0 H CYS A 12 3.638 11.081 -28.753 1.00 0.00 H new ATOM 0 HA CYS A 12 4.260 10.420 -31.562 1.00 0.00 H new ATOM 0 HB2 CYS A 12 1.895 9.914 -31.943 1.00 0.00 H new ATOM 0 HB3 CYS A 12 2.589 8.805 -30.778 1.00 0.00 H new ATOM 0 HG CYS A 12 1.066 11.506 -29.426 1.00 0.00 H new ATOM 121 N THR A 13 3.357 12.621 -32.332 1.00 0.00 N ATOM 122 CA THR A 13 3.042 13.989 -32.723 1.00 0.00 C ATOM 123 C THR A 13 2.320 14.024 -34.065 1.00 0.00 C ATOM 124 O THR A 13 2.627 13.244 -34.967 1.00 0.00 O ATOM 125 CB THR A 13 4.313 14.855 -32.814 1.00 0.00 C ATOM 126 OG1 THR A 13 5.068 14.745 -31.603 1.00 0.00 O ATOM 127 CG2 THR A 13 3.957 16.312 -33.066 1.00 0.00 C ATOM 0 H THR A 13 3.741 12.046 -33.082 1.00 0.00 H new ATOM 0 HA THR A 13 2.389 14.396 -31.951 1.00 0.00 H new ATOM 0 HB THR A 13 4.913 14.495 -33.649 1.00 0.00 H new ATOM 0 HG1 THR A 13 5.875 15.297 -31.669 1.00 0.00 H new ATOM 0 HG21 THR A 13 4.870 16.904 -33.126 1.00 0.00 H new ATOM 0 HG22 THR A 13 3.408 16.395 -34.004 1.00 0.00 H new ATOM 0 HG23 THR A 13 3.338 16.682 -32.249 1.00 0.00 H new ATOM 135 N VAL A 14 1.359 14.934 -34.192 1.00 0.00 N ATOM 136 CA VAL A 14 0.594 15.071 -35.425 1.00 0.00 C ATOM 137 C VAL A 14 -0.070 13.754 -35.810 1.00 0.00 C ATOM 138 O VAL A 14 0.010 13.317 -36.958 1.00 0.00 O ATOM 139 CB VAL A 14 1.486 15.543 -36.589 1.00 0.00 C ATOM 140 CG1 VAL A 14 0.634 15.988 -37.768 1.00 0.00 C ATOM 141 CG2 VAL A 14 2.407 16.665 -36.133 1.00 0.00 C ATOM 0 H VAL A 14 1.092 15.587 -33.455 1.00 0.00 H new ATOM 0 HA VAL A 14 -0.175 15.821 -35.238 1.00 0.00 H new ATOM 0 HB VAL A 14 2.104 14.706 -36.913 1.00 0.00 H new ATOM 0 HG11 VAL A 14 1.281 16.318 -38.581 1.00 0.00 H new ATOM 0 HG12 VAL A 14 0.020 15.154 -38.109 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.011 16.811 -37.461 1.00 0.00 H new ATOM 0 HG21 VAL A 14 3.030 16.986 -36.968 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.809 17.506 -35.781 1.00 0.00 H new ATOM 0 HG23 VAL A 14 3.042 16.308 -35.323 1.00 0.00 H new ATOM 151 N THR A 15 -0.728 13.124 -34.842 1.00 0.00 N ATOM 152 CA THR A 15 -1.407 11.856 -35.078 1.00 0.00 C ATOM 153 C THR A 15 -2.857 12.077 -35.491 1.00 0.00 C ATOM 154 O THR A 15 -3.504 13.025 -35.044 1.00 0.00 O ATOM 155 CB THR A 15 -1.372 10.959 -33.826 1.00 0.00 C ATOM 156 OG1 THR A 15 -0.018 10.749 -33.411 1.00 0.00 O ATOM 157 CG2 THR A 15 -2.036 9.619 -34.103 1.00 0.00 C ATOM 0 H THR A 15 -0.805 13.472 -33.886 1.00 0.00 H new ATOM 0 HA THR A 15 -0.874 11.358 -35.888 1.00 0.00 H new ATOM 0 HB THR A 15 -1.921 11.462 -33.030 1.00 0.00 H new ATOM 0 HG1 THR A 15 0.138 9.791 -33.276 1.00 0.00 H new ATOM 0 HG21 THR A 15 -1.999 9.002 -33.205 1.00 0.00 H new ATOM 0 HG22 THR A 15 -3.075 9.780 -34.390 1.00 0.00 H new ATOM 0 HG23 THR A 15 -1.510 9.113 -34.912 1.00 0.00 H new ATOM 165 N THR A 16 -3.365 11.196 -36.348 1.00 0.00 N ATOM 166 CA THR A 16 -4.739 11.295 -36.822 1.00 0.00 C ATOM 167 C THR A 16 -5.668 11.787 -35.718 1.00 0.00 C ATOM 168 O THR A 16 -6.422 12.740 -35.906 1.00 0.00 O ATOM 169 CB THR A 16 -5.253 9.940 -37.344 1.00 0.00 C ATOM 170 OG1 THR A 16 -5.087 8.934 -36.338 1.00 0.00 O ATOM 171 CG2 THR A 16 -4.510 9.530 -38.606 1.00 0.00 C ATOM 0 H THR A 16 -2.844 10.405 -36.728 1.00 0.00 H new ATOM 0 HA THR A 16 -4.739 12.015 -37.641 1.00 0.00 H new ATOM 0 HB THR A 16 -6.311 10.044 -37.583 1.00 0.00 H new ATOM 0 HG1 THR A 16 -5.417 8.076 -36.676 1.00 0.00 H new ATOM 0 HG21 THR A 16 -4.890 8.570 -38.956 1.00 0.00 H new ATOM 0 HG22 THR A 16 -4.661 10.284 -39.378 1.00 0.00 H new ATOM 0 HG23 THR A 16 -3.445 9.442 -38.389 1.00 0.00 H new ATOM 179 N GLY A 17 -5.607 11.130 -34.563 1.00 0.00 N ATOM 180 CA GLY A 17 -6.447 11.516 -33.445 1.00 0.00 C ATOM 181 C GLY A 17 -6.426 13.010 -33.192 1.00 0.00 C ATOM 182 O GLY A 17 -5.549 13.719 -33.687 1.00 0.00 O ATOM 0 H GLY A 17 -4.991 10.338 -34.382 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -7.472 11.198 -33.638 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -6.115 10.994 -32.548 1.00 0.00 H new ATOM 186 N THR A 18 -7.394 13.492 -32.419 1.00 0.00 N ATOM 187 CA THR A 18 -7.485 14.912 -32.104 1.00 0.00 C ATOM 188 C THR A 18 -6.369 15.337 -31.157 1.00 0.00 C ATOM 189 O THR A 18 -6.001 14.598 -30.242 1.00 0.00 O ATOM 190 CB THR A 18 -8.844 15.260 -31.466 1.00 0.00 C ATOM 191 OG1 THR A 18 -9.048 14.473 -30.287 1.00 0.00 O ATOM 192 CG2 THR A 18 -9.980 15.016 -32.447 1.00 0.00 C ATOM 0 H THR A 18 -8.126 12.919 -31.999 1.00 0.00 H new ATOM 0 HA THR A 18 -7.385 15.452 -33.046 1.00 0.00 H new ATOM 0 HB THR A 18 -8.835 16.317 -31.200 1.00 0.00 H new ATOM 0 HG1 THR A 18 -9.971 14.582 -29.977 1.00 0.00 H new ATOM 0 HG21 THR A 18 -10.929 15.269 -31.975 1.00 0.00 H new ATOM 0 HG22 THR A 18 -9.838 15.638 -33.331 1.00 0.00 H new ATOM 0 HG23 THR A 18 -9.989 13.966 -32.740 1.00 0.00 H new ATOM 200 N LEU A 19 -5.832 16.532 -31.381 1.00 0.00 N ATOM 201 CA LEU A 19 -4.757 17.056 -30.547 1.00 0.00 C ATOM 202 C LEU A 19 -5.189 17.133 -29.086 1.00 0.00 C ATOM 203 O LEU A 19 -4.542 16.567 -28.206 1.00 0.00 O ATOM 204 CB LEU A 19 -4.332 18.441 -31.039 1.00 0.00 C ATOM 205 CG LEU A 19 -3.568 18.478 -32.363 1.00 0.00 C ATOM 206 CD1 LEU A 19 -4.526 18.343 -33.536 1.00 0.00 C ATOM 207 CD2 LEU A 19 -2.761 19.763 -32.477 1.00 0.00 C ATOM 0 H LEU A 19 -6.124 17.156 -32.133 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.909 16.375 -30.620 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -5.225 19.058 -31.140 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.711 18.902 -30.271 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.877 17.635 -32.385 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.964 18.371 -34.470 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -5.060 17.396 -33.463 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -5.242 19.165 -33.518 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.224 19.772 -33.425 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.433 20.620 -32.432 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.047 19.819 -31.655 1.00 0.00 H new ATOM 219 N GLY A 20 -6.289 17.837 -28.836 1.00 0.00 N ATOM 220 CA GLY A 20 -6.790 17.973 -27.481 1.00 0.00 C ATOM 221 C GLY A 20 -8.272 18.290 -27.440 1.00 0.00 C ATOM 222 O GLY A 20 -8.665 19.456 -27.448 1.00 0.00 O ATOM 0 H GLY A 20 -6.842 18.315 -29.547 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -6.604 17.049 -26.934 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -6.238 18.762 -26.970 1.00 0.00 H new ATOM 226 N PHE A 21 -9.096 17.249 -27.397 1.00 0.00 N ATOM 227 CA PHE A 21 -10.544 17.421 -27.357 1.00 0.00 C ATOM 228 C PHE A 21 -11.091 17.106 -25.968 1.00 0.00 C ATOM 229 O PHE A 21 -12.010 17.767 -25.486 1.00 0.00 O ATOM 230 CB PHE A 21 -11.215 16.523 -28.398 1.00 0.00 C ATOM 231 CG PHE A 21 -12.692 16.760 -28.532 1.00 0.00 C ATOM 232 CD1 PHE A 21 -13.562 16.389 -27.520 1.00 0.00 C ATOM 233 CD2 PHE A 21 -13.210 17.354 -29.672 1.00 0.00 C ATOM 234 CE1 PHE A 21 -14.921 16.607 -27.640 1.00 0.00 C ATOM 235 CE2 PHE A 21 -14.569 17.575 -29.797 1.00 0.00 C ATOM 236 CZ PHE A 21 -15.425 17.200 -28.781 1.00 0.00 C ATOM 0 H PHE A 21 -8.786 16.277 -27.389 1.00 0.00 H new ATOM 0 HA PHE A 21 -10.767 18.462 -27.588 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -10.740 16.685 -29.366 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -11.045 15.480 -28.130 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -13.173 15.924 -26.626 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -12.545 17.647 -30.471 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -15.588 16.314 -26.843 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -14.961 18.041 -30.689 1.00 0.00 H new ATOM 0 HZ PHE A 21 -16.487 17.370 -28.878 1.00 0.00 H new ATOM 246 N GLY A 22 -10.519 16.090 -25.329 1.00 0.00 N ATOM 247 CA GLY A 22 -10.963 15.703 -24.003 1.00 0.00 C ATOM 248 C GLY A 22 -10.129 16.335 -22.906 1.00 0.00 C ATOM 249 O GLY A 22 -9.055 16.878 -23.167 1.00 0.00 O ATOM 0 H GLY A 22 -9.756 15.528 -25.706 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -12.006 15.991 -23.874 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -10.918 14.618 -23.910 1.00 0.00 H new ATOM 253 N ASP A 23 -10.624 16.266 -21.675 1.00 0.00 N ATOM 254 CA ASP A 23 -9.917 16.836 -20.534 1.00 0.00 C ATOM 255 C ASP A 23 -8.781 15.922 -20.086 1.00 0.00 C ATOM 256 O ASP A 23 -8.791 14.722 -20.360 1.00 0.00 O ATOM 257 CB ASP A 23 -10.885 17.074 -19.374 1.00 0.00 C ATOM 258 CG ASP A 23 -11.528 15.790 -18.885 1.00 0.00 C ATOM 259 OD1 ASP A 23 -10.810 14.951 -18.303 1.00 0.00 O ATOM 260 OD2 ASP A 23 -12.750 15.626 -19.083 1.00 0.00 O ATOM 0 H ASP A 23 -11.512 15.821 -21.442 1.00 0.00 H new ATOM 0 HA ASP A 23 -9.490 17.790 -20.843 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -10.351 17.547 -18.550 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -11.663 17.769 -19.690 1.00 0.00 H new ATOM 265 N LYS A 24 -7.802 16.498 -19.396 1.00 0.00 N ATOM 266 CA LYS A 24 -6.658 15.737 -18.909 1.00 0.00 C ATOM 267 C LYS A 24 -6.951 15.130 -17.541 1.00 0.00 C ATOM 268 O LYS A 24 -7.329 15.836 -16.605 1.00 0.00 O ATOM 269 CB LYS A 24 -5.421 16.633 -18.827 1.00 0.00 C ATOM 270 CG LYS A 24 -4.117 15.861 -18.720 1.00 0.00 C ATOM 271 CD LYS A 24 -3.015 16.710 -18.109 1.00 0.00 C ATOM 272 CE LYS A 24 -1.637 16.231 -18.541 1.00 0.00 C ATOM 273 NZ LYS A 24 -0.557 17.131 -18.049 1.00 0.00 N ATOM 0 H LYS A 24 -7.778 17.490 -19.161 1.00 0.00 H new ATOM 0 HA LYS A 24 -6.466 14.927 -19.613 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -5.385 17.270 -19.711 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.516 17.291 -17.963 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -4.270 14.969 -18.112 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -3.811 15.523 -19.710 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -3.149 17.750 -18.406 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -3.089 16.676 -17.022 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -1.469 15.222 -18.164 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -1.596 16.176 -19.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 0.366 16.770 -18.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -0.703 18.088 -18.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -0.579 17.164 -17.010 1.00 0.00 H new ATOM 287 N PHE A 25 -6.773 13.817 -17.430 1.00 0.00 N ATOM 288 CA PHE A 25 -7.018 13.116 -16.175 1.00 0.00 C ATOM 289 C PHE A 25 -5.974 13.493 -15.128 1.00 0.00 C ATOM 290 O PHE A 25 -5.031 14.232 -15.413 1.00 0.00 O ATOM 291 CB PHE A 25 -7.006 11.603 -16.402 1.00 0.00 C ATOM 292 CG PHE A 25 -8.339 11.048 -16.816 1.00 0.00 C ATOM 293 CD1 PHE A 25 -9.440 11.159 -15.982 1.00 0.00 C ATOM 294 CD2 PHE A 25 -8.491 10.414 -18.039 1.00 0.00 C ATOM 295 CE1 PHE A 25 -10.668 10.650 -16.360 1.00 0.00 C ATOM 296 CE2 PHE A 25 -9.717 9.903 -18.422 1.00 0.00 C ATOM 297 CZ PHE A 25 -10.806 10.020 -17.581 1.00 0.00 C ATOM 0 H PHE A 25 -6.460 13.218 -18.194 1.00 0.00 H new ATOM 0 HA PHE A 25 -8.000 13.414 -15.807 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -6.268 11.365 -17.168 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -6.685 11.109 -15.485 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -9.337 11.649 -15.025 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -7.642 10.318 -18.700 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -11.519 10.745 -15.701 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -9.823 9.413 -19.378 1.00 0.00 H new ATOM 0 HZ PHE A 25 -11.764 9.619 -17.878 1.00 0.00 H new ATOM 307 N LYS A 26 -6.149 12.980 -13.915 1.00 0.00 N ATOM 308 CA LYS A 26 -5.224 13.261 -12.824 1.00 0.00 C ATOM 309 C LYS A 26 -4.383 12.032 -12.494 1.00 0.00 C ATOM 310 O LYS A 26 -4.880 10.905 -12.510 1.00 0.00 O ATOM 311 CB LYS A 26 -5.991 13.716 -11.581 1.00 0.00 C ATOM 312 CG LYS A 26 -6.933 12.660 -11.028 1.00 0.00 C ATOM 313 CD LYS A 26 -8.332 12.804 -11.603 1.00 0.00 C ATOM 314 CE LYS A 26 -9.154 13.819 -10.824 1.00 0.00 C ATOM 315 NZ LYS A 26 -9.547 13.304 -9.484 1.00 0.00 N ATOM 0 H LYS A 26 -6.924 12.367 -13.663 1.00 0.00 H new ATOM 0 HA LYS A 26 -4.557 14.061 -13.144 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -5.277 13.996 -10.806 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -6.564 14.610 -11.825 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -6.544 11.668 -11.258 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -6.975 12.742 -9.942 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -8.267 13.111 -12.647 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -8.835 11.837 -11.586 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -8.579 14.738 -10.706 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -10.049 14.074 -11.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -10.337 13.869 -9.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -9.842 12.310 -9.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -8.737 13.372 -8.835 1.00 0.00 H new ATOM 329 N ARG A 27 -3.108 12.256 -12.193 1.00 0.00 N ATOM 330 CA ARG A 27 -2.199 11.166 -11.859 1.00 0.00 C ATOM 331 C ARG A 27 -2.179 10.918 -10.353 1.00 0.00 C ATOM 332 O ARG A 27 -2.433 11.813 -9.548 1.00 0.00 O ATOM 333 CB ARG A 27 -0.786 11.482 -12.353 1.00 0.00 C ATOM 334 CG ARG A 27 -0.676 11.570 -13.867 1.00 0.00 C ATOM 335 CD ARG A 27 -0.451 10.201 -14.489 1.00 0.00 C ATOM 336 NE ARG A 27 0.936 9.762 -14.360 1.00 0.00 N ATOM 337 CZ ARG A 27 1.309 8.487 -14.384 1.00 0.00 C ATOM 338 NH1 ARG A 27 0.403 7.531 -14.532 1.00 0.00 N ATOM 339 NH2 ARG A 27 2.591 8.167 -14.261 1.00 0.00 N ATOM 0 H ARG A 27 -2.681 13.182 -12.174 1.00 0.00 H new ATOM 0 HA ARG A 27 -2.556 10.263 -12.355 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -0.461 12.427 -11.918 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -0.103 10.713 -11.992 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -1.586 12.011 -14.274 1.00 0.00 H new ATOM 0 HG3 ARG A 27 0.147 12.233 -14.135 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -1.107 9.474 -14.011 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -0.725 10.233 -15.544 1.00 0.00 H new ATOM 0 HE ARG A 27 1.658 10.473 -14.245 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -0.583 7.773 -14.628 1.00 0.00 H new ATOM 0 HH12 ARG A 27 0.692 6.553 -14.550 1.00 0.00 H new ATOM 0 HH21 ARG A 27 3.291 8.900 -14.148 1.00 0.00 H new ATOM 0 HH22 ARG A 27 2.876 7.188 -14.280 1.00 0.00 H new ATOM 353 N PRO A 28 -1.871 9.672 -9.963 1.00 0.00 N ATOM 354 CA PRO A 28 -1.810 9.276 -8.553 1.00 0.00 C ATOM 355 C PRO A 28 -0.625 9.902 -7.825 1.00 0.00 C ATOM 356 O PRO A 28 0.386 10.239 -8.442 1.00 0.00 O ATOM 357 CB PRO A 28 -1.655 7.755 -8.618 1.00 0.00 C ATOM 358 CG PRO A 28 -1.026 7.494 -9.943 1.00 0.00 C ATOM 359 CD PRO A 28 -1.557 8.554 -10.869 1.00 0.00 C ATOM 0 HA PRO A 28 -2.689 9.605 -7.999 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -1.031 7.386 -7.804 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -2.620 7.255 -8.532 1.00 0.00 H new ATOM 0 HG2 PRO A 28 0.061 7.543 -9.876 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -1.278 6.497 -10.305 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -0.819 8.839 -11.619 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -2.441 8.212 -11.407 1.00 0.00 H new ATOM 367 N ILE A 29 -0.757 10.055 -6.512 1.00 0.00 N ATOM 368 CA ILE A 29 0.304 10.639 -5.701 1.00 0.00 C ATOM 369 C ILE A 29 1.032 9.570 -4.894 1.00 0.00 C ATOM 370 O ILE A 29 0.497 9.042 -3.919 1.00 0.00 O ATOM 371 CB ILE A 29 -0.246 11.708 -4.739 1.00 0.00 C ATOM 372 CG1 ILE A 29 -0.935 12.827 -5.523 1.00 0.00 C ATOM 373 CG2 ILE A 29 0.873 12.270 -3.875 1.00 0.00 C ATOM 374 CD1 ILE A 29 -1.918 13.627 -4.697 1.00 0.00 C ATOM 0 H ILE A 29 -1.588 9.783 -5.987 1.00 0.00 H new ATOM 0 HA ILE A 29 1.005 11.109 -6.391 1.00 0.00 H new ATOM 0 HB ILE A 29 -0.983 11.242 -4.086 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -0.176 13.500 -5.923 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -1.458 12.394 -6.376 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.468 13.024 -3.200 1.00 0.00 H new ATOM 0 HG22 ILE A 29 1.322 11.466 -3.292 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.632 12.723 -4.512 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -2.368 14.402 -5.317 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -2.698 12.966 -4.319 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -1.397 14.090 -3.859 1.00 0.00 H new ATOM 386 N GLY A 30 2.256 9.255 -5.306 1.00 0.00 N ATOM 387 CA GLY A 30 3.038 8.251 -4.609 1.00 0.00 C ATOM 388 C GLY A 30 2.412 6.872 -4.686 1.00 0.00 C ATOM 389 O GLY A 30 2.359 6.151 -3.690 1.00 0.00 O ATOM 0 H GLY A 30 2.720 9.677 -6.110 1.00 0.00 H new ATOM 0 HA2 GLY A 30 4.041 8.216 -5.035 1.00 0.00 H new ATOM 0 HA3 GLY A 30 3.146 8.540 -3.564 1.00 0.00 H new ATOM 393 N SER A 31 1.936 6.506 -5.871 1.00 0.00 N ATOM 394 CA SER A 31 1.305 5.206 -6.073 1.00 0.00 C ATOM 395 C SER A 31 2.260 4.076 -5.702 1.00 0.00 C ATOM 396 O SER A 31 3.476 4.260 -5.674 1.00 0.00 O ATOM 397 CB SER A 31 0.856 5.054 -7.527 1.00 0.00 C ATOM 398 OG SER A 31 1.959 4.784 -8.375 1.00 0.00 O ATOM 0 H SER A 31 1.975 7.090 -6.706 1.00 0.00 H new ATOM 0 HA SER A 31 0.432 5.148 -5.423 1.00 0.00 H new ATOM 0 HB2 SER A 31 0.128 4.246 -7.604 1.00 0.00 H new ATOM 0 HB3 SER A 31 0.356 5.966 -7.854 1.00 0.00 H new ATOM 0 HG SER A 31 1.646 4.689 -9.299 1.00 0.00 H new ATOM 404 N TRP A 32 1.699 2.906 -5.418 1.00 0.00 N ATOM 405 CA TRP A 32 2.500 1.744 -5.048 1.00 0.00 C ATOM 406 C TRP A 32 1.874 0.460 -5.582 1.00 0.00 C ATOM 407 O TRP A 32 0.696 0.192 -5.352 1.00 0.00 O ATOM 408 CB TRP A 32 2.645 1.662 -3.528 1.00 0.00 C ATOM 409 CG TRP A 32 1.339 1.476 -2.816 1.00 0.00 C ATOM 410 CD1 TRP A 32 0.449 2.451 -2.467 1.00 0.00 C ATOM 411 CD2 TRP A 32 0.778 0.238 -2.364 1.00 0.00 C ATOM 412 NE1 TRP A 32 -0.631 1.895 -1.826 1.00 0.00 N ATOM 413 CE2 TRP A 32 -0.454 0.539 -1.751 1.00 0.00 C ATOM 414 CE3 TRP A 32 1.195 -1.094 -2.420 1.00 0.00 C ATOM 415 CZ2 TRP A 32 -1.269 -0.445 -1.198 1.00 0.00 C ATOM 416 CZ3 TRP A 32 0.385 -2.069 -1.870 1.00 0.00 C ATOM 417 CH2 TRP A 32 -0.836 -1.741 -1.266 1.00 0.00 C ATOM 0 H TRP A 32 0.693 2.737 -5.437 1.00 0.00 H new ATOM 0 HA TRP A 32 3.488 1.857 -5.494 1.00 0.00 H new ATOM 0 HB2 TRP A 32 3.308 0.834 -3.278 1.00 0.00 H new ATOM 0 HB3 TRP A 32 3.122 2.573 -3.166 1.00 0.00 H new ATOM 0 HD1 TRP A 32 0.576 3.505 -2.666 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -1.435 2.409 -1.464 1.00 0.00 H new ATOM 0 HE3 TRP A 32 2.134 -1.357 -2.885 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -2.210 -0.194 -0.732 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 0.698 -3.102 -1.906 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -1.447 -2.526 -0.846 1.00 0.00 H new ATOM 428 N GLU A 33 2.672 -0.330 -6.294 1.00 0.00 N ATOM 429 CA GLU A 33 2.194 -1.586 -6.861 1.00 0.00 C ATOM 430 C GLU A 33 2.247 -2.705 -5.825 1.00 0.00 C ATOM 431 O GLU A 33 3.042 -2.659 -4.885 1.00 0.00 O ATOM 432 CB GLU A 33 3.029 -1.969 -8.085 1.00 0.00 C ATOM 433 CG GLU A 33 2.467 -3.150 -8.858 1.00 0.00 C ATOM 434 CD GLU A 33 1.354 -2.750 -9.807 1.00 0.00 C ATOM 435 OE1 GLU A 33 0.667 -1.745 -9.524 1.00 0.00 O ATOM 436 OE2 GLU A 33 1.168 -3.441 -10.830 1.00 0.00 O ATOM 0 H GLU A 33 3.651 -0.123 -6.492 1.00 0.00 H new ATOM 0 HA GLU A 33 1.157 -1.446 -7.167 1.00 0.00 H new ATOM 0 HB2 GLU A 33 3.098 -1.109 -8.751 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.043 -2.205 -7.763 1.00 0.00 H new ATOM 0 HG2 GLU A 33 3.269 -3.624 -9.424 1.00 0.00 H new ATOM 0 HG3 GLU A 33 2.091 -3.893 -8.155 1.00 0.00 H new ATOM 443 N CYS A 34 1.395 -3.708 -6.002 1.00 0.00 N ATOM 444 CA CYS A 34 1.342 -4.839 -5.084 1.00 0.00 C ATOM 445 C CYS A 34 2.352 -5.912 -5.483 1.00 0.00 C ATOM 446 O CYS A 34 2.970 -5.832 -6.544 1.00 0.00 O ATOM 447 CB CYS A 34 -0.067 -5.435 -5.055 1.00 0.00 C ATOM 448 SG CYS A 34 -0.519 -6.199 -3.464 1.00 0.00 S ATOM 0 H CYS A 34 0.731 -3.761 -6.774 1.00 0.00 H new ATOM 0 HA CYS A 34 1.597 -4.478 -4.088 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -0.787 -4.650 -5.286 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -0.149 -6.185 -5.842 1.00 0.00 H new ATOM 453 N SER A 35 2.513 -6.914 -4.625 1.00 0.00 N ATOM 454 CA SER A 35 3.449 -8.001 -4.886 1.00 0.00 C ATOM 455 C SER A 35 2.718 -9.336 -4.985 1.00 0.00 C ATOM 456 O SER A 35 3.103 -10.212 -5.759 1.00 0.00 O ATOM 457 CB SER A 35 4.507 -8.066 -3.782 1.00 0.00 C ATOM 458 OG SER A 35 5.551 -8.959 -4.129 1.00 0.00 O ATOM 0 H SER A 35 2.007 -6.996 -3.743 1.00 0.00 H new ATOM 0 HA SER A 35 3.940 -7.805 -5.839 1.00 0.00 H new ATOM 0 HB2 SER A 35 4.918 -7.071 -3.608 1.00 0.00 H new ATOM 0 HB3 SER A 35 4.044 -8.387 -2.849 1.00 0.00 H new ATOM 0 HG SER A 35 6.215 -8.982 -3.409 1.00 0.00 H new ATOM 464 N VAL A 36 1.660 -9.484 -4.194 1.00 0.00 N ATOM 465 CA VAL A 36 0.872 -10.711 -4.192 1.00 0.00 C ATOM 466 C VAL A 36 -0.038 -10.782 -5.413 1.00 0.00 C ATOM 467 O VAL A 36 -0.229 -11.849 -5.997 1.00 0.00 O ATOM 468 CB VAL A 36 0.014 -10.825 -2.918 1.00 0.00 C ATOM 469 CG1 VAL A 36 0.891 -11.103 -1.707 1.00 0.00 C ATOM 470 CG2 VAL A 36 -0.807 -9.561 -2.714 1.00 0.00 C ATOM 0 H VAL A 36 1.329 -8.769 -3.546 1.00 0.00 H new ATOM 0 HA VAL A 36 1.578 -11.541 -4.221 1.00 0.00 H new ATOM 0 HB VAL A 36 -0.674 -11.662 -3.038 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.268 -11.180 -0.816 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.430 -12.039 -1.855 1.00 0.00 H new ATOM 0 HG13 VAL A 36 1.605 -10.289 -1.580 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.407 -9.659 -1.809 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -0.139 -8.705 -2.615 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -1.464 -9.412 -3.571 1.00 0.00 H new ATOM 480 N CYS A 37 -0.597 -9.639 -5.795 1.00 0.00 N ATOM 481 CA CYS A 37 -1.488 -9.570 -6.947 1.00 0.00 C ATOM 482 C CYS A 37 -0.911 -8.658 -8.026 1.00 0.00 C ATOM 483 O CYS A 37 -1.315 -8.722 -9.188 1.00 0.00 O ATOM 484 CB CYS A 37 -2.868 -9.064 -6.521 1.00 0.00 C ATOM 485 SG CYS A 37 -2.906 -7.301 -6.064 1.00 0.00 S ATOM 0 H CYS A 37 -0.449 -8.747 -5.323 1.00 0.00 H new ATOM 0 HA CYS A 37 -1.588 -10.574 -7.359 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -3.572 -9.232 -7.336 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -3.214 -9.655 -5.673 1.00 0.00 H new ATOM 490 N CYS A 38 0.035 -7.812 -7.635 1.00 0.00 N ATOM 491 CA CYS A 38 0.668 -6.887 -8.568 1.00 0.00 C ATOM 492 C CYS A 38 -0.356 -5.919 -9.152 1.00 0.00 C ATOM 493 O CYS A 38 -0.409 -5.711 -10.364 1.00 0.00 O ATOM 494 CB CYS A 38 1.358 -7.658 -9.694 1.00 0.00 C ATOM 495 SG CYS A 38 2.597 -6.698 -10.595 1.00 0.00 S ATOM 0 H CYS A 38 0.381 -7.747 -6.678 1.00 0.00 H new ATOM 0 HA CYS A 38 1.415 -6.312 -8.021 1.00 0.00 H new ATOM 0 HB2 CYS A 38 1.835 -8.544 -9.274 1.00 0.00 H new ATOM 0 HB3 CYS A 38 0.602 -8.007 -10.398 1.00 0.00 H new ATOM 0 HG CYS A 38 2.176 -5.477 -10.743 1.00 0.00 H new ATOM 501 N VAL A 39 -1.169 -5.330 -8.281 1.00 0.00 N ATOM 502 CA VAL A 39 -2.193 -4.384 -8.710 1.00 0.00 C ATOM 503 C VAL A 39 -1.935 -2.996 -8.133 1.00 0.00 C ATOM 504 O VAL A 39 -1.542 -2.857 -6.974 1.00 0.00 O ATOM 505 CB VAL A 39 -3.599 -4.849 -8.288 1.00 0.00 C ATOM 506 CG1 VAL A 39 -4.630 -3.770 -8.584 1.00 0.00 C ATOM 507 CG2 VAL A 39 -3.962 -6.150 -8.989 1.00 0.00 C ATOM 0 H VAL A 39 -1.139 -5.491 -7.274 1.00 0.00 H new ATOM 0 HA VAL A 39 -2.145 -4.337 -9.798 1.00 0.00 H new ATOM 0 HB VAL A 39 -3.595 -5.030 -7.213 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -5.617 -4.117 -8.279 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -4.377 -2.864 -8.033 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -4.635 -3.555 -9.653 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -4.959 -6.464 -8.679 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -3.948 -5.998 -10.068 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -3.239 -6.921 -8.722 1.00 0.00 H new ATOM 517 N SER A 40 -2.158 -1.971 -8.949 1.00 0.00 N ATOM 518 CA SER A 40 -1.946 -0.593 -8.521 1.00 0.00 C ATOM 519 C SER A 40 -2.922 -0.213 -7.412 1.00 0.00 C ATOM 520 O SER A 40 -4.035 -0.734 -7.343 1.00 0.00 O ATOM 521 CB SER A 40 -2.106 0.361 -9.706 1.00 0.00 C ATOM 522 OG SER A 40 -3.445 0.378 -10.170 1.00 0.00 O ATOM 0 H SER A 40 -2.485 -2.069 -9.910 1.00 0.00 H new ATOM 0 HA SER A 40 -0.931 -0.511 -8.132 1.00 0.00 H new ATOM 0 HB2 SER A 40 -1.808 1.367 -9.410 1.00 0.00 H new ATOM 0 HB3 SER A 40 -1.441 0.056 -10.515 1.00 0.00 H new ATOM 0 HG SER A 40 -3.521 0.996 -10.926 1.00 0.00 H new ATOM 528 N ASN A 41 -2.496 0.700 -6.544 1.00 0.00 N ATOM 529 CA ASN A 41 -3.331 1.150 -5.437 1.00 0.00 C ATOM 530 C ASN A 41 -2.970 2.575 -5.029 1.00 0.00 C ATOM 531 O ASN A 41 -2.038 3.169 -5.568 1.00 0.00 O ATOM 532 CB ASN A 41 -3.178 0.210 -4.240 1.00 0.00 C ATOM 533 CG ASN A 41 -3.385 -1.244 -4.616 1.00 0.00 C ATOM 534 OD1 ASN A 41 -4.436 -1.618 -5.138 1.00 0.00 O ATOM 535 ND2 ASN A 41 -2.382 -2.073 -4.351 1.00 0.00 N ATOM 0 H ASN A 41 -1.578 1.142 -6.587 1.00 0.00 H new ATOM 0 HA ASN A 41 -4.369 1.138 -5.769 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -2.184 0.333 -3.810 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -3.896 0.489 -3.469 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -2.465 -3.063 -4.581 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -1.529 -1.719 -3.918 1.00 0.00 H new ATOM 542 N ASN A 42 -3.716 3.117 -4.071 1.00 0.00 N ATOM 543 CA ASN A 42 -3.475 4.473 -3.590 1.00 0.00 C ATOM 544 C ASN A 42 -2.576 4.461 -2.358 1.00 0.00 C ATOM 545 O ASN A 42 -2.721 3.612 -1.479 1.00 0.00 O ATOM 546 CB ASN A 42 -4.800 5.163 -3.261 1.00 0.00 C ATOM 547 CG ASN A 42 -5.551 5.597 -4.505 1.00 0.00 C ATOM 548 OD1 ASN A 42 -5.912 4.634 -5.344 1.00 0.00 O flip ATOM 549 ND2 ASN A 42 -5.802 6.785 -4.709 1.00 0.00 N flip ATOM 0 H ASN A 42 -4.492 2.638 -3.613 1.00 0.00 H new ATOM 0 HA ASN A 42 -2.971 5.028 -4.381 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -5.425 4.485 -2.681 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -4.607 6.034 -2.634 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -5.505 7.492 -4.036 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -6.307 7.062 -5.551 1.00 0.00 H new ATOM 556 N ALA A 43 -1.646 5.409 -2.301 1.00 0.00 N ATOM 557 CA ALA A 43 -0.725 5.509 -1.176 1.00 0.00 C ATOM 558 C ALA A 43 -1.480 5.589 0.147 1.00 0.00 C ATOM 559 O ALA A 43 -1.216 4.820 1.070 1.00 0.00 O ATOM 560 CB ALA A 43 0.182 6.719 -1.342 1.00 0.00 C ATOM 0 H ALA A 43 -1.511 6.119 -3.021 1.00 0.00 H new ATOM 0 HA ALA A 43 -0.111 4.608 -1.160 1.00 0.00 H new ATOM 0 HB1 ALA A 43 0.865 6.781 -0.494 1.00 0.00 H new ATOM 0 HB2 ALA A 43 0.756 6.620 -2.263 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.424 7.624 -1.387 1.00 0.00 H new ATOM 566 N GLU A 44 -2.420 6.526 0.230 1.00 0.00 N ATOM 567 CA GLU A 44 -3.212 6.706 1.441 1.00 0.00 C ATOM 568 C GLU A 44 -3.648 5.360 2.012 1.00 0.00 C ATOM 569 O GLU A 44 -3.566 5.129 3.218 1.00 0.00 O ATOM 570 CB GLU A 44 -4.439 7.572 1.150 1.00 0.00 C ATOM 571 CG GLU A 44 -5.413 6.937 0.172 1.00 0.00 C ATOM 572 CD GLU A 44 -6.505 7.893 -0.267 1.00 0.00 C ATOM 573 OE1 GLU A 44 -6.230 9.108 -0.360 1.00 0.00 O ATOM 574 OE2 GLU A 44 -7.636 7.426 -0.518 1.00 0.00 O ATOM 0 H GLU A 44 -2.651 7.171 -0.526 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.589 7.209 2.181 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -4.959 7.777 2.086 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -4.110 8.531 0.751 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -4.867 6.588 -0.704 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -5.867 6.060 0.634 1.00 0.00 H new ATOM 581 N ASP A 45 -4.113 4.476 1.136 1.00 0.00 N ATOM 582 CA ASP A 45 -4.563 3.153 1.551 1.00 0.00 C ATOM 583 C ASP A 45 -3.391 2.310 2.044 1.00 0.00 C ATOM 584 O ASP A 45 -2.468 2.009 1.288 1.00 0.00 O ATOM 585 CB ASP A 45 -5.265 2.443 0.392 1.00 0.00 C ATOM 586 CG ASP A 45 -6.757 2.713 0.366 1.00 0.00 C ATOM 587 OD1 ASP A 45 -7.343 2.906 1.451 1.00 0.00 O ATOM 588 OD2 ASP A 45 -7.338 2.731 -0.740 1.00 0.00 O ATOM 0 H ASP A 45 -4.188 4.652 0.134 1.00 0.00 H new ATOM 0 HA ASP A 45 -5.269 3.278 2.372 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -4.823 2.768 -0.550 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -5.094 1.369 0.471 1.00 0.00 H new ATOM 593 N ASN A 46 -3.434 1.934 3.318 1.00 0.00 N ATOM 594 CA ASN A 46 -2.374 1.128 3.913 1.00 0.00 C ATOM 595 C ASN A 46 -2.556 -0.348 3.571 1.00 0.00 C ATOM 596 O ASN A 46 -1.936 -1.219 4.181 1.00 0.00 O ATOM 597 CB ASN A 46 -2.356 1.312 5.432 1.00 0.00 C ATOM 598 CG ASN A 46 -0.969 1.137 6.020 1.00 0.00 C ATOM 599 OD1 ASN A 46 -0.019 0.808 5.309 1.00 0.00 O ATOM 600 ND2 ASN A 46 -0.847 1.357 7.324 1.00 0.00 N ATOM 0 H ASN A 46 -4.191 2.174 3.958 1.00 0.00 H new ATOM 0 HA ASN A 46 -1.422 1.464 3.502 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -2.730 2.306 5.679 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -3.035 0.593 5.890 1.00 0.00 H new ATOM 0 HD21 ASN A 46 0.062 1.255 7.776 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -1.662 1.628 7.874 1.00 0.00 H new ATOM 607 N LYS A 47 -3.411 -0.621 2.592 1.00 0.00 N ATOM 608 CA LYS A 47 -3.675 -1.991 2.165 1.00 0.00 C ATOM 609 C LYS A 47 -4.109 -2.031 0.704 1.00 0.00 C ATOM 610 O LYS A 47 -4.304 -0.991 0.074 1.00 0.00 O ATOM 611 CB LYS A 47 -4.755 -2.622 3.047 1.00 0.00 C ATOM 612 CG LYS A 47 -4.198 -3.420 4.213 1.00 0.00 C ATOM 613 CD LYS A 47 -5.306 -4.080 5.017 1.00 0.00 C ATOM 614 CE LYS A 47 -4.758 -4.785 6.248 1.00 0.00 C ATOM 615 NZ LYS A 47 -5.741 -5.746 6.820 1.00 0.00 N ATOM 0 H LYS A 47 -3.934 0.088 2.078 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.752 -2.562 2.267 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -5.403 -1.835 3.433 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -5.377 -3.275 2.435 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -3.514 -4.183 3.840 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.619 -2.763 4.861 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -6.034 -3.328 5.321 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -5.834 -4.799 4.390 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -3.842 -5.315 5.986 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -4.493 -4.045 7.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -5.330 -6.206 7.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -6.605 -5.237 7.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -5.975 -6.468 6.109 1.00 0.00 H new ATOM 629 N CYS A 48 -4.259 -3.239 0.169 1.00 0.00 N ATOM 630 CA CYS A 48 -4.671 -3.416 -1.218 1.00 0.00 C ATOM 631 C CYS A 48 -6.192 -3.449 -1.333 1.00 0.00 C ATOM 632 O CYS A 48 -6.901 -3.482 -0.328 1.00 0.00 O ATOM 633 CB CYS A 48 -4.077 -4.705 -1.788 1.00 0.00 C ATOM 634 SG CYS A 48 -3.981 -4.740 -3.607 1.00 0.00 S ATOM 0 H CYS A 48 -4.101 -4.110 0.676 1.00 0.00 H new ATOM 0 HA CYS A 48 -4.299 -2.568 -1.793 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -3.076 -4.843 -1.379 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -4.678 -5.549 -1.450 1.00 0.00 H new ATOM 639 N VAL A 49 -6.687 -3.442 -2.567 1.00 0.00 N ATOM 640 CA VAL A 49 -8.123 -3.473 -2.815 1.00 0.00 C ATOM 641 C VAL A 49 -8.529 -4.755 -3.534 1.00 0.00 C ATOM 642 O VAL A 49 -9.629 -5.269 -3.334 1.00 0.00 O ATOM 643 CB VAL A 49 -8.574 -2.262 -3.654 1.00 0.00 C ATOM 644 CG1 VAL A 49 -8.210 -0.962 -2.953 1.00 0.00 C ATOM 645 CG2 VAL A 49 -7.959 -2.319 -5.044 1.00 0.00 C ATOM 0 H VAL A 49 -6.114 -3.415 -3.410 1.00 0.00 H new ATOM 0 HA VAL A 49 -8.613 -3.435 -1.842 1.00 0.00 H new ATOM 0 HB VAL A 49 -9.658 -2.298 -3.760 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -8.536 -0.118 -3.560 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -8.703 -0.922 -1.981 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -7.130 -0.913 -2.814 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -8.288 -1.456 -5.623 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -6.872 -2.308 -4.962 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -8.275 -3.234 -5.545 1.00 0.00 H new ATOM 655 N SER A 50 -7.633 -5.266 -4.372 1.00 0.00 N ATOM 656 CA SER A 50 -7.898 -6.487 -5.124 1.00 0.00 C ATOM 657 C SER A 50 -7.701 -7.719 -4.247 1.00 0.00 C ATOM 658 O SER A 50 -8.504 -8.653 -4.278 1.00 0.00 O ATOM 659 CB SER A 50 -6.984 -6.566 -6.348 1.00 0.00 C ATOM 660 OG SER A 50 -7.472 -7.506 -7.289 1.00 0.00 O ATOM 0 H SER A 50 -6.717 -4.853 -4.547 1.00 0.00 H new ATOM 0 HA SER A 50 -8.936 -6.462 -5.456 1.00 0.00 H new ATOM 0 HB2 SER A 50 -6.911 -5.584 -6.815 1.00 0.00 H new ATOM 0 HB3 SER A 50 -5.978 -6.847 -6.037 1.00 0.00 H new ATOM 0 HG SER A 50 -6.871 -7.537 -8.063 1.00 0.00 H new ATOM 666 N CYS A 51 -6.627 -7.715 -3.465 1.00 0.00 N ATOM 667 CA CYS A 51 -6.322 -8.831 -2.578 1.00 0.00 C ATOM 668 C CYS A 51 -6.478 -8.423 -1.116 1.00 0.00 C ATOM 669 O CYS A 51 -6.628 -9.272 -0.237 1.00 0.00 O ATOM 670 CB CYS A 51 -4.899 -9.334 -2.829 1.00 0.00 C ATOM 671 SG CYS A 51 -3.597 -8.147 -2.364 1.00 0.00 S ATOM 0 H CYS A 51 -5.953 -6.951 -3.428 1.00 0.00 H new ATOM 0 HA CYS A 51 -7.028 -9.634 -2.790 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -4.748 -10.259 -2.272 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -4.793 -9.578 -3.886 1.00 0.00 H new ATOM 676 N MET A 52 -6.443 -7.119 -0.865 1.00 0.00 N ATOM 677 CA MET A 52 -6.582 -6.598 0.491 1.00 0.00 C ATOM 678 C MET A 52 -5.440 -7.081 1.379 1.00 0.00 C ATOM 679 O MET A 52 -5.664 -7.542 2.498 1.00 0.00 O ATOM 680 CB MET A 52 -7.924 -7.025 1.088 1.00 0.00 C ATOM 681 CG MET A 52 -9.125 -6.424 0.377 1.00 0.00 C ATOM 682 SD MET A 52 -10.689 -6.869 1.157 1.00 0.00 S ATOM 683 CE MET A 52 -10.605 -5.901 2.661 1.00 0.00 C ATOM 0 H MET A 52 -6.320 -6.404 -1.581 1.00 0.00 H new ATOM 0 HA MET A 52 -6.544 -5.510 0.442 1.00 0.00 H new ATOM 0 HB2 MET A 52 -7.998 -8.112 1.053 1.00 0.00 H new ATOM 0 HB3 MET A 52 -7.953 -6.737 2.139 1.00 0.00 H new ATOM 0 HG2 MET A 52 -9.027 -5.339 0.361 1.00 0.00 H new ATOM 0 HG3 MET A 52 -9.133 -6.758 -0.660 1.00 0.00 H new ATOM 0 HE1 MET A 52 -11.596 -5.839 3.110 1.00 0.00 H new ATOM 0 HE2 MET A 52 -9.918 -6.376 3.362 1.00 0.00 H new ATOM 0 HE3 MET A 52 -10.249 -4.897 2.428 1.00 0.00 H new ATOM 693 N SER A 53 -4.216 -6.973 0.872 1.00 0.00 N ATOM 694 CA SER A 53 -3.039 -7.402 1.618 1.00 0.00 C ATOM 695 C SER A 53 -2.305 -6.204 2.213 1.00 0.00 C ATOM 696 O SER A 53 -2.290 -5.121 1.629 1.00 0.00 O ATOM 697 CB SER A 53 -2.095 -8.194 0.711 1.00 0.00 C ATOM 698 OG SER A 53 -2.492 -9.551 0.623 1.00 0.00 O ATOM 0 H SER A 53 -4.014 -6.592 -0.052 1.00 0.00 H new ATOM 0 HA SER A 53 -3.371 -8.044 2.434 1.00 0.00 H new ATOM 0 HB2 SER A 53 -2.084 -7.750 -0.284 1.00 0.00 H new ATOM 0 HB3 SER A 53 -1.078 -8.134 1.098 1.00 0.00 H new ATOM 0 HG SER A 53 -2.953 -9.702 -0.229 1.00 0.00 H new ATOM 704 N GLU A 54 -1.698 -6.408 3.377 1.00 0.00 N ATOM 705 CA GLU A 54 -0.963 -5.344 4.052 1.00 0.00 C ATOM 706 C GLU A 54 0.049 -4.700 3.109 1.00 0.00 C ATOM 707 O GLU A 54 0.818 -5.390 2.439 1.00 0.00 O ATOM 708 CB GLU A 54 -0.248 -5.892 5.288 1.00 0.00 C ATOM 709 CG GLU A 54 0.593 -7.127 5.008 1.00 0.00 C ATOM 710 CD GLU A 54 1.724 -7.301 6.003 1.00 0.00 C ATOM 711 OE1 GLU A 54 2.819 -6.753 5.757 1.00 0.00 O ATOM 712 OE2 GLU A 54 1.514 -7.985 7.026 1.00 0.00 O ATOM 0 H GLU A 54 -1.700 -7.299 3.873 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.679 -4.584 4.363 1.00 0.00 H new ATOM 0 HB2 GLU A 54 0.392 -5.113 5.702 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -0.990 -6.133 6.049 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -0.046 -8.010 5.032 1.00 0.00 H new ATOM 0 HG3 GLU A 54 1.007 -7.060 4.002 1.00 0.00 H new ATOM 719 N LYS A 55 0.043 -3.372 3.061 1.00 0.00 N ATOM 720 CA LYS A 55 0.960 -2.633 2.202 1.00 0.00 C ATOM 721 C LYS A 55 2.406 -2.842 2.641 1.00 0.00 C ATOM 722 O LYS A 55 2.743 -2.736 3.821 1.00 0.00 O ATOM 723 CB LYS A 55 0.620 -1.140 2.223 1.00 0.00 C ATOM 724 CG LYS A 55 1.645 -0.273 1.514 1.00 0.00 C ATOM 725 CD LYS A 55 1.205 1.180 1.460 1.00 0.00 C ATOM 726 CE LYS A 55 2.385 2.112 1.230 1.00 0.00 C ATOM 727 NZ LYS A 55 2.105 3.492 1.717 1.00 0.00 N ATOM 0 H LYS A 55 -0.587 -2.785 3.608 1.00 0.00 H new ATOM 0 HA LYS A 55 0.850 -3.011 1.186 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -0.354 -0.991 1.757 1.00 0.00 H new ATOM 0 HB3 LYS A 55 0.532 -0.811 3.258 1.00 0.00 H new ATOM 0 HG2 LYS A 55 2.603 -0.345 2.030 1.00 0.00 H new ATOM 0 HG3 LYS A 55 1.799 -0.645 0.501 1.00 0.00 H new ATOM 0 HD2 LYS A 55 0.476 1.311 0.661 1.00 0.00 H new ATOM 0 HD3 LYS A 55 0.707 1.445 2.393 1.00 0.00 H new ATOM 0 HE2 LYS A 55 3.264 1.718 1.740 1.00 0.00 H new ATOM 0 HE3 LYS A 55 2.621 2.143 0.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 2.933 4.096 1.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 1.282 3.878 1.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 1.904 3.466 2.737 1.00 0.00 H new ATOM 741 N PRO A 56 3.282 -3.144 1.672 1.00 0.00 N ATOM 742 CA PRO A 56 4.706 -3.372 1.934 1.00 0.00 C ATOM 743 C PRO A 56 5.435 -2.092 2.329 1.00 0.00 C ATOM 744 O PRO A 56 4.813 -1.052 2.543 1.00 0.00 O ATOM 745 CB PRO A 56 5.234 -3.897 0.597 1.00 0.00 C ATOM 746 CG PRO A 56 4.296 -3.347 -0.422 1.00 0.00 C ATOM 747 CD PRO A 56 2.950 -3.285 0.244 1.00 0.00 C ATOM 0 HA PRO A 56 4.862 -4.057 2.768 1.00 0.00 H new ATOM 0 HB2 PRO A 56 6.256 -3.563 0.416 1.00 0.00 H new ATOM 0 HB3 PRO A 56 5.247 -4.987 0.577 1.00 0.00 H new ATOM 0 HG2 PRO A 56 4.614 -2.358 -0.751 1.00 0.00 H new ATOM 0 HG3 PRO A 56 4.265 -3.983 -1.307 1.00 0.00 H new ATOM 0 HD2 PRO A 56 2.362 -2.441 -0.117 1.00 0.00 H new ATOM 0 HD3 PRO A 56 2.366 -4.186 0.054 1.00 0.00 H new ATOM 755 N GLY A 57 6.758 -2.175 2.424 1.00 0.00 N ATOM 756 CA GLY A 57 7.550 -1.016 2.793 1.00 0.00 C ATOM 757 C GLY A 57 7.676 -0.854 4.295 1.00 0.00 C ATOM 758 O GLY A 57 7.879 0.266 4.761 1.00 0.00 O ATOM 0 H GLY A 57 7.296 -3.024 2.252 1.00 0.00 H new ATOM 0 HA2 GLY A 57 8.544 -1.105 2.356 1.00 0.00 H new ATOM 0 HA3 GLY A 57 7.095 -0.120 2.371 1.00 0.00 H new TER 762 GLY A 57 HETATM 763 ZN ZN A 201 -2.768 -6.738 -3.898 1.00 0.00 ZN