USER MOD reduce.3.24.130724 H: found=0, std=0, add=530, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 530 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 25 LYS NZ :NH3+ -165:sc= -3.26 (180deg=-4.1!) USER MOD Set 1.2: A 54 GLN :FLIP amide:sc= -8.17! C(o=-15!,f=-11!) USER MOD Set 2.1: A 24 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 65 ASN : amide:sc= -7.01! C(o=-7!,f=-18!) USER MOD Set 3.1: A 2 THR OG1 : rot 96:sc= 1.21 USER MOD Set 3.2: A 12 SER OG : rot 180:sc= -1.32 USER MOD Single : A 1 ILE N :NH3+ 144:sc= -0.0185 (180deg=-0.403) USER MOD Single : A 4 TYR OH : rot 100:sc= 0.118 USER MOD Single : A 5 LYS NZ :NH3+ -165:sc= -0.0764 (180deg=-0.38) USER MOD Single : A 6 THR OG1 : rot -113:sc= -0.375 USER MOD Single : A 11 THR OG1 : rot -72:sc= 0.269 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -0.412 X(o=-0.41,f=0) USER MOD Single : A 20 ASN : amide:sc= -0.651 K(o=-0.65,f=-2.6!) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 32:sc= -1.64! USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot -40:sc= 1.01 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 HIS : no HD1:sc= -1.57 K(o=-1.6,f=-3.4!) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 GLN : amide:sc= -0.15 X(o=-0.15,f=-0.32) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 15.779 4.450 0.041 1.00 0.29 N ATOM 2 CA ILE A 1 14.483 4.394 -0.686 1.00 0.23 C ATOM 3 C ILE A 1 13.340 4.884 0.189 1.00 0.20 C ATOM 4 O ILE A 1 13.366 4.728 1.408 1.00 0.27 O ATOM 5 CB ILE A 1 14.168 2.960 -1.154 1.00 0.22 C ATOM 6 CG1 ILE A 1 12.813 2.914 -1.876 1.00 0.20 C ATOM 7 CG2 ILE A 1 14.188 2.004 0.032 1.00 0.28 C ATOM 8 CD1 ILE A 1 12.378 1.521 -2.275 1.00 0.19 C ATOM 0 H1 ILE A 1 16.369 3.640 -0.238 1.00 0.29 H new ATOM 0 H2 ILE A 1 16.272 5.335 -0.195 1.00 0.29 H new ATOM 0 H3 ILE A 1 15.604 4.414 1.066 1.00 0.29 H new ATOM 0 HA ILE A 1 14.580 5.046 -1.554 1.00 0.23 H new ATOM 0 HB ILE A 1 14.935 2.645 -1.861 1.00 0.22 H new ATOM 0 HG12 ILE A 1 12.052 3.350 -1.228 1.00 0.20 H new ATOM 0 HG13 ILE A 1 12.867 3.537 -2.769 1.00 0.20 H new ATOM 0 HG21 ILE A 1 13.964 0.994 -0.311 1.00 0.28 H new ATOM 0 HG22 ILE A 1 15.175 2.020 0.495 1.00 0.28 H new ATOM 0 HG23 ILE A 1 13.440 2.314 0.762 1.00 0.28 H new ATOM 0 HD11 ILE A 1 11.413 1.572 -2.779 1.00 0.19 H new ATOM 0 HD12 ILE A 1 13.117 1.088 -2.949 1.00 0.19 H new ATOM 0 HD13 ILE A 1 12.290 0.898 -1.385 1.00 0.19 H new ATOM 22 N THR A 2 12.337 5.473 -0.447 1.00 0.18 N ATOM 23 CA THR A 2 11.176 5.987 0.252 1.00 0.17 C ATOM 24 C THR A 2 9.897 5.357 -0.284 1.00 0.20 C ATOM 25 O THR A 2 9.853 4.893 -1.422 1.00 0.27 O ATOM 26 CB THR A 2 11.075 7.513 0.107 1.00 0.19 C ATOM 27 OG1 THR A 2 11.384 7.903 -1.236 1.00 0.26 O ATOM 28 CG2 THR A 2 12.012 8.212 1.075 1.00 0.19 C ATOM 0 H THR A 2 12.308 5.606 -1.458 1.00 0.18 H new ATOM 0 HA THR A 2 11.294 5.732 1.305 1.00 0.17 H new ATOM 0 HB THR A 2 10.052 7.809 0.341 1.00 0.19 H new ATOM 0 HG1 THR A 2 10.554 8.003 -1.747 1.00 0.26 H new ATOM 0 HG21 THR A 2 11.922 9.291 0.953 1.00 0.19 H new ATOM 0 HG22 THR A 2 11.749 7.939 2.097 1.00 0.19 H new ATOM 0 HG23 THR A 2 13.039 7.908 0.871 1.00 0.19 H new ATOM 36 N CYS A 3 8.860 5.338 0.545 1.00 0.16 N ATOM 37 CA CYS A 3 7.571 4.772 0.150 1.00 0.19 C ATOM 38 C CYS A 3 6.431 5.478 0.889 1.00 0.19 C ATOM 39 O CYS A 3 6.596 5.893 2.037 1.00 0.27 O ATOM 40 CB CYS A 3 7.525 3.262 0.430 1.00 0.24 C ATOM 41 SG CYS A 3 9.117 2.399 0.223 1.00 0.41 S ATOM 0 H CYS A 3 8.884 5.707 1.495 1.00 0.16 H new ATOM 0 HA CYS A 3 7.448 4.926 -0.922 1.00 0.19 H new ATOM 0 HB2 CYS A 3 7.173 3.106 1.450 1.00 0.24 H new ATOM 0 HB3 CYS A 3 6.791 2.806 -0.234 1.00 0.24 H new ATOM 46 N TYR A 4 5.277 5.617 0.231 1.00 0.16 N ATOM 47 CA TYR A 4 4.128 6.277 0.835 1.00 0.18 C ATOM 48 C TYR A 4 3.435 5.388 1.859 1.00 0.23 C ATOM 49 O TYR A 4 3.242 4.196 1.632 1.00 0.26 O ATOM 50 CB TYR A 4 3.130 6.679 -0.245 1.00 0.20 C ATOM 51 CG TYR A 4 3.613 7.806 -1.129 1.00 0.20 C ATOM 52 CD1 TYR A 4 4.061 9.001 -0.583 1.00 0.31 C ATOM 53 CD2 TYR A 4 3.620 7.673 -2.511 1.00 0.33 C ATOM 54 CE1 TYR A 4 4.502 10.034 -1.389 1.00 0.36 C ATOM 55 CE2 TYR A 4 4.057 8.701 -3.325 1.00 0.35 C ATOM 56 CZ TYR A 4 4.497 9.879 -2.759 1.00 0.28 C ATOM 57 OH TYR A 4 4.932 10.905 -3.566 1.00 0.35 O ATOM 0 H TYR A 4 5.119 5.280 -0.719 1.00 0.16 H new ATOM 0 HA TYR A 4 4.496 7.163 1.352 1.00 0.18 H new ATOM 0 HB2 TYR A 4 2.910 5.810 -0.866 1.00 0.20 H new ATOM 0 HB3 TYR A 4 2.195 6.976 0.229 1.00 0.20 H new ATOM 0 HD1 TYR A 4 4.065 9.126 0.490 1.00 0.31 H new ATOM 0 HD2 TYR A 4 3.278 6.751 -2.957 1.00 0.33 H new ATOM 0 HE1 TYR A 4 4.848 10.957 -0.948 1.00 0.36 H new ATOM 0 HE2 TYR A 4 4.054 8.582 -4.398 1.00 0.35 H new ATOM 0 HH TYR A 4 5.852 10.728 -3.852 1.00 0.35 H new ATOM 67 N LYS A 5 3.070 5.984 2.989 1.00 0.32 N ATOM 68 CA LYS A 5 2.376 5.263 4.053 1.00 0.40 C ATOM 69 C LYS A 5 0.864 5.314 3.838 1.00 0.49 C ATOM 70 O LYS A 5 0.362 6.198 3.153 1.00 0.86 O ATOM 71 CB LYS A 5 2.730 5.867 5.411 1.00 0.58 C ATOM 72 CG LYS A 5 4.220 5.874 5.699 1.00 0.92 C ATOM 73 CD LYS A 5 4.570 6.897 6.764 1.00 1.68 C ATOM 74 CE LYS A 5 6.057 6.888 7.077 1.00 2.11 C ATOM 75 NZ LYS A 5 6.521 5.546 7.526 1.00 2.69 N ATOM 0 H LYS A 5 3.243 6.968 3.193 1.00 0.32 H new ATOM 0 HA LYS A 5 2.695 4.221 4.031 1.00 0.40 H new ATOM 0 HB2 LYS A 5 2.355 6.889 5.454 1.00 0.58 H new ATOM 0 HB3 LYS A 5 2.219 5.306 6.194 1.00 0.58 H new ATOM 0 HG2 LYS A 5 4.534 4.883 6.026 1.00 0.92 H new ATOM 0 HG3 LYS A 5 4.769 6.096 4.784 1.00 0.92 H new ATOM 0 HD2 LYS A 5 4.274 7.890 6.427 1.00 1.68 H new ATOM 0 HD3 LYS A 5 4.005 6.687 7.672 1.00 1.68 H new ATOM 0 HE2 LYS A 5 6.616 7.188 6.191 1.00 2.11 H new ATOM 0 HE3 LYS A 5 6.269 7.624 7.852 1.00 2.11 H new ATOM 0 HZ1 LYS A 5 7.459 5.633 7.967 1.00 2.69 H new ATOM 0 HZ2 LYS A 5 5.848 5.159 8.218 1.00 2.69 H new ATOM 0 HZ3 LYS A 5 6.581 4.908 6.707 1.00 2.69 H new ATOM 89 N THR A 6 0.144 4.358 4.422 1.00 0.46 N ATOM 90 CA THR A 6 -1.312 4.294 4.291 1.00 0.50 C ATOM 91 C THR A 6 -2.033 5.429 5.035 1.00 0.60 C ATOM 92 O THR A 6 -2.896 6.089 4.455 1.00 0.64 O ATOM 93 CB THR A 6 -1.860 2.944 4.798 1.00 0.57 C ATOM 94 OG1 THR A 6 -1.367 1.877 3.984 1.00 1.51 O ATOM 95 CG2 THR A 6 -3.384 2.933 4.789 1.00 1.08 C ATOM 0 H THR A 6 0.546 3.614 4.993 1.00 0.46 H new ATOM 0 HA THR A 6 -1.514 4.404 3.225 1.00 0.50 H new ATOM 0 HB THR A 6 -1.520 2.806 5.824 1.00 0.57 H new ATOM 0 HG1 THR A 6 -2.111 1.470 3.492 1.00 1.51 H new ATOM 0 HG21 THR A 6 -3.743 1.970 5.151 1.00 1.08 H new ATOM 0 HG22 THR A 6 -3.757 3.726 5.437 1.00 1.08 H new ATOM 0 HG23 THR A 6 -3.743 3.095 3.773 1.00 1.08 H new ATOM 103 N PRO A 7 -1.705 5.670 6.325 1.00 0.71 N ATOM 104 CA PRO A 7 -2.361 6.710 7.130 1.00 0.85 C ATOM 105 C PRO A 7 -2.594 8.018 6.384 1.00 0.81 C ATOM 106 O PRO A 7 -1.800 8.414 5.536 1.00 0.76 O ATOM 107 CB PRO A 7 -1.386 6.925 8.277 1.00 0.97 C ATOM 108 CG PRO A 7 -0.762 5.590 8.476 1.00 1.03 C ATOM 109 CD PRO A 7 -0.668 4.962 7.107 1.00 0.76 C ATOM 0 HA PRO A 7 -3.360 6.398 7.433 1.00 0.85 H new ATOM 0 HB2 PRO A 7 -0.640 7.681 8.030 1.00 0.97 H new ATOM 0 HB3 PRO A 7 -1.898 7.264 9.177 1.00 0.97 H new ATOM 0 HG2 PRO A 7 0.225 5.685 8.929 1.00 1.03 H new ATOM 0 HG3 PRO A 7 -1.363 4.975 9.146 1.00 1.03 H new ATOM 0 HD2 PRO A 7 0.323 5.096 6.672 1.00 0.76 H new ATOM 0 HD3 PRO A 7 -0.857 3.889 7.145 1.00 0.76 H new ATOM 117 N ILE A 8 -3.692 8.676 6.748 1.00 0.89 N ATOM 118 CA ILE A 8 -4.109 9.954 6.160 1.00 0.90 C ATOM 119 C ILE A 8 -2.927 10.806 5.687 1.00 0.81 C ATOM 120 O ILE A 8 -2.918 11.255 4.541 1.00 0.77 O ATOM 121 CB ILE A 8 -4.964 10.772 7.154 1.00 1.04 C ATOM 122 CG1 ILE A 8 -6.261 10.027 7.479 1.00 1.15 C ATOM 123 CG2 ILE A 8 -5.263 12.156 6.592 1.00 1.08 C ATOM 124 CD1 ILE A 8 -7.062 10.663 8.594 1.00 1.82 C ATOM 0 H ILE A 8 -4.328 8.335 7.469 1.00 0.89 H new ATOM 0 HA ILE A 8 -4.707 9.699 5.285 1.00 0.90 H new ATOM 0 HB ILE A 8 -4.398 10.896 8.077 1.00 1.04 H new ATOM 0 HG12 ILE A 8 -6.878 9.980 6.581 1.00 1.15 H new ATOM 0 HG13 ILE A 8 -6.021 9.000 7.755 1.00 1.15 H new ATOM 0 HG21 ILE A 8 -5.866 12.716 7.307 1.00 1.08 H new ATOM 0 HG22 ILE A 8 -4.327 12.686 6.412 1.00 1.08 H new ATOM 0 HG23 ILE A 8 -5.810 12.058 5.654 1.00 1.08 H new ATOM 0 HD11 ILE A 8 -7.967 10.081 8.769 1.00 1.82 H new ATOM 0 HD12 ILE A 8 -6.463 10.686 9.505 1.00 1.82 H new ATOM 0 HD13 ILE A 8 -7.333 11.680 8.312 1.00 1.82 H new ATOM 136 N PRO A 9 -1.925 11.072 6.556 1.00 0.81 N ATOM 137 CA PRO A 9 -0.750 11.865 6.172 1.00 0.75 C ATOM 138 C PRO A 9 0.172 11.111 5.224 1.00 0.61 C ATOM 139 O PRO A 9 1.394 11.181 5.352 1.00 0.56 O ATOM 140 CB PRO A 9 -0.041 12.111 7.501 1.00 0.84 C ATOM 141 CG PRO A 9 -0.430 10.947 8.338 1.00 0.89 C ATOM 142 CD PRO A 9 -1.857 10.662 7.976 1.00 0.90 C ATOM 0 HA PRO A 9 -1.031 12.775 5.642 1.00 0.75 H new ATOM 0 HB2 PRO A 9 1.040 12.166 7.372 1.00 0.84 H new ATOM 0 HB3 PRO A 9 -0.357 13.051 7.954 1.00 0.84 H new ATOM 0 HG2 PRO A 9 0.207 10.086 8.136 1.00 0.89 H new ATOM 0 HG3 PRO A 9 -0.331 11.174 9.399 1.00 0.89 H new ATOM 0 HD2 PRO A 9 -2.104 9.608 8.105 1.00 0.90 H new ATOM 0 HD3 PRO A 9 -2.552 11.230 8.594 1.00 0.90 H new ATOM 150 N ILE A 10 -0.422 10.377 4.288 1.00 0.58 N ATOM 151 CA ILE A 10 0.329 9.617 3.307 1.00 0.46 C ATOM 152 C ILE A 10 1.505 10.426 2.783 1.00 0.36 C ATOM 153 O ILE A 10 1.347 11.303 1.933 1.00 0.40 O ATOM 154 CB ILE A 10 -0.569 9.179 2.137 1.00 0.52 C ATOM 155 CG1 ILE A 10 -1.713 8.318 2.681 1.00 0.68 C ATOM 156 CG2 ILE A 10 0.249 8.423 1.097 1.00 0.54 C ATOM 157 CD1 ILE A 10 -2.835 8.056 1.704 1.00 0.61 C ATOM 0 H ILE A 10 -1.434 10.295 4.192 1.00 0.58 H new ATOM 0 HA ILE A 10 0.709 8.724 3.803 1.00 0.46 H new ATOM 0 HB ILE A 10 -0.992 10.055 1.646 1.00 0.52 H new ATOM 0 HG12 ILE A 10 -1.304 7.361 3.007 1.00 0.68 H new ATOM 0 HG13 ILE A 10 -2.127 8.806 3.564 1.00 0.68 H new ATOM 0 HG21 ILE A 10 -0.399 8.119 0.275 1.00 0.54 H new ATOM 0 HG22 ILE A 10 1.040 9.069 0.716 1.00 0.54 H new ATOM 0 HG23 ILE A 10 0.692 7.539 1.555 1.00 0.54 H new ATOM 0 HD11 ILE A 10 -3.596 7.439 2.181 1.00 0.61 H new ATOM 0 HD12 ILE A 10 -3.277 9.003 1.395 1.00 0.61 H new ATOM 0 HD13 ILE A 10 -2.442 7.537 0.830 1.00 0.61 H new ATOM 169 N THR A 11 2.681 10.120 3.306 1.00 0.30 N ATOM 170 CA THR A 11 3.895 10.814 2.921 1.00 0.27 C ATOM 171 C THR A 11 4.986 9.832 2.533 1.00 0.22 C ATOM 172 O THR A 11 4.911 8.643 2.851 1.00 0.24 O ATOM 173 CB THR A 11 4.418 11.713 4.058 1.00 0.33 C ATOM 174 OG1 THR A 11 4.405 10.996 5.298 1.00 0.38 O ATOM 175 CG2 THR A 11 3.576 12.973 4.183 1.00 0.39 C ATOM 0 H THR A 11 2.819 9.389 4.004 1.00 0.30 H new ATOM 0 HA THR A 11 3.641 11.436 2.063 1.00 0.27 H new ATOM 0 HB THR A 11 5.441 12.003 3.820 1.00 0.33 H new ATOM 0 HG1 THR A 11 3.480 10.887 5.603 1.00 0.38 H new ATOM 0 HG21 THR A 11 3.965 13.591 4.992 1.00 0.39 H new ATOM 0 HG22 THR A 11 3.616 13.532 3.248 1.00 0.39 H new ATOM 0 HG23 THR A 11 2.543 12.700 4.399 1.00 0.39 H new ATOM 183 N SER A 12 5.994 10.342 1.841 1.00 0.21 N ATOM 184 CA SER A 12 7.117 9.525 1.403 1.00 0.20 C ATOM 185 C SER A 12 8.215 9.524 2.461 1.00 0.25 C ATOM 186 O SER A 12 8.724 10.579 2.840 1.00 0.37 O ATOM 187 CB SER A 12 7.657 10.046 0.070 1.00 0.26 C ATOM 188 OG SER A 12 9.006 9.665 -0.124 1.00 0.58 O ATOM 0 H SER A 12 6.057 11.323 1.569 1.00 0.21 H new ATOM 0 HA SER A 12 6.774 8.500 1.263 1.00 0.20 H new ATOM 0 HB2 SER A 12 7.047 9.661 -0.747 1.00 0.26 H new ATOM 0 HB3 SER A 12 7.577 11.133 0.043 1.00 0.26 H new ATOM 0 HG SER A 12 9.323 10.011 -0.984 1.00 0.58 H new ATOM 194 N GLU A 13 8.575 8.334 2.935 1.00 0.19 N ATOM 195 CA GLU A 13 9.601 8.208 3.968 1.00 0.26 C ATOM 196 C GLU A 13 10.488 6.994 3.737 1.00 0.19 C ATOM 197 O GLU A 13 10.087 6.028 3.090 1.00 0.16 O ATOM 198 CB GLU A 13 8.961 8.128 5.353 1.00 0.36 C ATOM 199 CG GLU A 13 8.507 9.474 5.888 1.00 1.32 C ATOM 200 CD GLU A 13 9.661 10.435 6.102 1.00 1.92 C ATOM 201 OE1 GLU A 13 10.248 10.421 7.204 1.00 2.55 O ATOM 202 OE2 GLU A 13 9.975 11.202 5.168 1.00 2.36 O ATOM 0 H GLU A 13 8.175 7.449 2.623 1.00 0.19 H new ATOM 0 HA GLU A 13 10.228 9.098 3.912 1.00 0.26 H new ATOM 0 HB2 GLU A 13 8.105 7.455 5.311 1.00 0.36 H new ATOM 0 HB3 GLU A 13 9.676 7.691 6.050 1.00 0.36 H new ATOM 0 HG2 GLU A 13 7.795 9.916 5.191 1.00 1.32 H new ATOM 0 HG3 GLU A 13 7.981 9.327 6.831 1.00 1.32 H new ATOM 209 N THR A 14 11.697 7.050 4.289 1.00 0.23 N ATOM 210 CA THR A 14 12.658 5.968 4.143 1.00 0.20 C ATOM 211 C THR A 14 12.247 4.750 4.963 1.00 0.21 C ATOM 212 O THR A 14 11.585 4.877 5.993 1.00 0.24 O ATOM 213 CB THR A 14 14.070 6.417 4.562 1.00 0.23 C ATOM 214 OG1 THR A 14 14.393 7.663 3.933 1.00 0.29 O ATOM 215 CG2 THR A 14 15.105 5.370 4.175 1.00 0.25 C ATOM 0 H THR A 14 12.033 7.838 4.843 1.00 0.23 H new ATOM 0 HA THR A 14 12.673 5.694 3.088 1.00 0.20 H new ATOM 0 HB THR A 14 14.083 6.540 5.645 1.00 0.23 H new ATOM 0 HG1 THR A 14 15.292 7.944 4.205 1.00 0.29 H new ATOM 0 HG21 THR A 14 16.096 5.707 4.480 1.00 0.25 H new ATOM 0 HG22 THR A 14 14.873 4.428 4.672 1.00 0.25 H new ATOM 0 HG23 THR A 14 15.088 5.224 3.095 1.00 0.25 H new ATOM 223 N CYS A 15 12.642 3.570 4.495 1.00 0.23 N ATOM 224 CA CYS A 15 12.306 2.327 5.172 1.00 0.29 C ATOM 225 C CYS A 15 13.340 1.958 6.227 1.00 0.28 C ATOM 226 O CYS A 15 14.365 2.624 6.375 1.00 0.29 O ATOM 227 CB CYS A 15 12.203 1.200 4.153 1.00 0.35 C ATOM 228 SG CYS A 15 11.144 1.591 2.728 1.00 0.81 S ATOM 0 H CYS A 15 13.196 3.451 3.647 1.00 0.23 H new ATOM 0 HA CYS A 15 11.349 2.472 5.674 1.00 0.29 H new ATOM 0 HB2 CYS A 15 13.203 0.955 3.794 1.00 0.35 H new ATOM 0 HB3 CYS A 15 11.815 0.310 4.648 1.00 0.35 H new ATOM 233 N ALA A 16 13.054 0.885 6.954 1.00 0.34 N ATOM 234 CA ALA A 16 13.948 0.392 7.991 1.00 0.36 C ATOM 235 C ALA A 16 15.198 -0.218 7.362 1.00 0.32 C ATOM 236 O ALA A 16 15.193 -0.551 6.176 1.00 0.29 O ATOM 237 CB ALA A 16 13.225 -0.639 8.849 1.00 0.39 C ATOM 0 H ALA A 16 12.202 0.336 6.842 1.00 0.34 H new ATOM 0 HA ALA A 16 14.253 1.225 8.625 1.00 0.36 H new ATOM 0 HB1 ALA A 16 13.899 -1.005 9.624 1.00 0.39 H new ATOM 0 HB2 ALA A 16 12.353 -0.178 9.314 1.00 0.39 H new ATOM 0 HB3 ALA A 16 12.905 -1.472 8.224 1.00 0.39 H new ATOM 243 N PRO A 17 16.291 -0.370 8.131 1.00 0.38 N ATOM 244 CA PRO A 17 17.526 -0.956 7.608 1.00 0.40 C ATOM 245 C PRO A 17 17.305 -2.378 7.111 1.00 0.35 C ATOM 246 O PRO A 17 16.854 -3.245 7.859 1.00 0.36 O ATOM 247 CB PRO A 17 18.482 -0.945 8.804 1.00 0.50 C ATOM 248 CG PRO A 17 17.608 -0.791 10.003 1.00 0.61 C ATOM 249 CD PRO A 17 16.419 0.008 9.548 1.00 0.47 C ATOM 0 HA PRO A 17 17.910 -0.401 6.752 1.00 0.40 H new ATOM 0 HB2 PRO A 17 19.060 -1.868 8.854 1.00 0.50 H new ATOM 0 HB3 PRO A 17 19.196 -0.125 8.730 1.00 0.50 H new ATOM 0 HG2 PRO A 17 17.301 -1.763 10.389 1.00 0.61 H new ATOM 0 HG3 PRO A 17 18.136 -0.281 10.808 1.00 0.61 H new ATOM 0 HD2 PRO A 17 15.523 -0.243 10.115 1.00 0.47 H new ATOM 0 HD3 PRO A 17 16.583 1.079 9.667 1.00 0.47 H new ATOM 257 N GLY A 18 17.628 -2.605 5.846 1.00 0.36 N ATOM 258 CA GLY A 18 17.444 -3.917 5.257 1.00 0.35 C ATOM 259 C GLY A 18 16.368 -3.921 4.187 1.00 0.32 C ATOM 260 O GLY A 18 16.368 -4.777 3.302 1.00 0.34 O ATOM 0 H GLY A 18 18.015 -1.903 5.215 1.00 0.36 H new ATOM 0 HA2 GLY A 18 18.386 -4.254 4.824 1.00 0.35 H new ATOM 0 HA3 GLY A 18 17.180 -4.630 6.038 1.00 0.35 H new ATOM 264 N GLN A 19 15.447 -2.962 4.268 1.00 0.28 N ATOM 265 CA GLN A 19 14.364 -2.861 3.296 1.00 0.26 C ATOM 266 C GLN A 19 14.850 -2.159 2.033 1.00 0.20 C ATOM 267 O GLN A 19 15.779 -1.355 2.082 1.00 0.41 O ATOM 268 CB GLN A 19 13.184 -2.088 3.885 1.00 0.40 C ATOM 269 CG GLN A 19 12.934 -2.370 5.356 1.00 0.48 C ATOM 270 CD GLN A 19 12.282 -3.715 5.591 1.00 0.59 C ATOM 271 OE1 GLN A 19 12.958 -4.711 5.846 1.00 1.44 O ATOM 272 NE2 GLN A 19 10.961 -3.750 5.488 1.00 0.53 N ATOM 0 H GLN A 19 15.430 -2.247 4.995 1.00 0.28 H new ATOM 0 HA GLN A 19 14.038 -3.870 3.045 1.00 0.26 H new ATOM 0 HB2 GLN A 19 13.361 -1.020 3.755 1.00 0.40 H new ATOM 0 HB3 GLN A 19 12.284 -2.333 3.321 1.00 0.40 H new ATOM 0 HG2 GLN A 19 13.881 -2.331 5.895 1.00 0.48 H new ATOM 0 HG3 GLN A 19 12.299 -1.586 5.769 1.00 0.48 H new ATOM 0 HE21 GLN A 19 10.443 -2.897 5.275 1.00 0.53 H new ATOM 0 HE22 GLN A 19 10.462 -4.630 5.622 1.00 0.53 H new ATOM 281 N ASN A 20 14.214 -2.461 0.904 1.00 0.19 N ATOM 282 CA ASN A 20 14.591 -1.851 -0.366 1.00 0.21 C ATOM 283 C ASN A 20 13.412 -1.790 -1.332 1.00 0.17 C ATOM 284 O ASN A 20 13.513 -1.191 -2.402 1.00 0.21 O ATOM 285 CB ASN A 20 15.745 -2.624 -1.007 1.00 0.36 C ATOM 286 CG ASN A 20 17.094 -2.255 -0.420 1.00 1.26 C ATOM 287 OD1 ASN A 20 17.315 -1.115 -0.009 1.00 2.05 O ATOM 288 ND2 ASN A 20 18.006 -3.220 -0.380 1.00 2.02 N ATOM 0 H ASN A 20 13.439 -3.121 0.843 1.00 0.19 H new ATOM 0 HA ASN A 20 14.911 -0.830 -0.156 1.00 0.21 H new ATOM 0 HB2 ASN A 20 15.577 -3.693 -0.877 1.00 0.36 H new ATOM 0 HB3 ASN A 20 15.755 -2.431 -2.080 1.00 0.36 H new ATOM 0 HD21 ASN A 20 18.932 -3.031 0.002 1.00 2.02 H new ATOM 0 HD22 ASN A 20 17.780 -4.150 -0.732 1.00 2.02 H new ATOM 295 N LEU A 21 12.300 -2.420 -0.962 1.00 0.18 N ATOM 296 CA LEU A 21 11.110 -2.416 -1.805 1.00 0.18 C ATOM 297 C LEU A 21 9.897 -1.908 -1.043 1.00 0.21 C ATOM 298 O LEU A 21 9.835 -2.000 0.175 1.00 0.39 O ATOM 299 CB LEU A 21 10.816 -3.817 -2.332 1.00 0.21 C ATOM 300 CG LEU A 21 11.674 -4.268 -3.507 1.00 0.70 C ATOM 301 CD1 LEU A 21 11.426 -5.735 -3.780 1.00 1.20 C ATOM 302 CD2 LEU A 21 11.367 -3.445 -4.747 1.00 1.31 C ATOM 0 H LEU A 21 12.199 -2.937 -0.089 1.00 0.18 H new ATOM 0 HA LEU A 21 11.309 -1.747 -2.642 1.00 0.18 H new ATOM 0 HB2 LEU A 21 10.945 -4.528 -1.516 1.00 0.21 H new ATOM 0 HB3 LEU A 21 9.769 -3.862 -2.631 1.00 0.21 H new ATOM 0 HG LEU A 21 12.723 -4.119 -3.253 1.00 0.70 H new ATOM 0 HD11 LEU A 21 12.040 -6.057 -4.621 1.00 1.20 H new ATOM 0 HD12 LEU A 21 11.685 -6.318 -2.897 1.00 1.20 H new ATOM 0 HD13 LEU A 21 10.374 -5.888 -4.020 1.00 1.20 H new ATOM 0 HD21 LEU A 21 11.992 -3.785 -5.573 1.00 1.31 H new ATOM 0 HD22 LEU A 21 10.317 -3.565 -5.013 1.00 1.31 H new ATOM 0 HD23 LEU A 21 11.572 -2.394 -4.546 1.00 1.31 H new ATOM 314 N CYS A 22 8.928 -1.394 -1.778 1.00 0.20 N ATOM 315 CA CYS A 22 7.704 -0.876 -1.185 1.00 0.21 C ATOM 316 C CYS A 22 6.531 -1.733 -1.632 1.00 0.20 C ATOM 317 O CYS A 22 6.484 -2.169 -2.782 1.00 0.31 O ATOM 318 CB CYS A 22 7.480 0.582 -1.594 1.00 0.24 C ATOM 319 SG CYS A 22 9.000 1.589 -1.638 1.00 0.35 S ATOM 0 H CYS A 22 8.964 -1.323 -2.795 1.00 0.20 H new ATOM 0 HA CYS A 22 7.790 -0.913 -0.099 1.00 0.21 H new ATOM 0 HB2 CYS A 22 7.015 0.604 -2.579 1.00 0.24 H new ATOM 0 HB3 CYS A 22 6.775 1.038 -0.899 1.00 0.24 H new ATOM 324 N TYR A 23 5.582 -1.977 -0.736 1.00 0.21 N ATOM 325 CA TYR A 23 4.441 -2.801 -1.083 1.00 0.20 C ATOM 326 C TYR A 23 3.131 -2.071 -0.882 1.00 0.19 C ATOM 327 O TYR A 23 2.970 -1.271 0.041 1.00 0.20 O ATOM 328 CB TYR A 23 4.429 -4.106 -0.279 1.00 0.22 C ATOM 329 CG TYR A 23 4.193 -3.931 1.208 1.00 0.21 C ATOM 330 CD1 TYR A 23 2.909 -3.748 1.721 1.00 0.22 C ATOM 331 CD2 TYR A 23 5.256 -3.959 2.101 1.00 0.22 C ATOM 332 CE1 TYR A 23 2.699 -3.596 3.075 1.00 0.23 C ATOM 333 CE2 TYR A 23 5.052 -3.807 3.459 1.00 0.23 C ATOM 334 CZ TYR A 23 3.772 -3.627 3.941 1.00 0.23 C ATOM 335 OH TYR A 23 3.564 -3.476 5.294 1.00 0.25 O ATOM 0 H TYR A 23 5.582 -1.621 0.220 1.00 0.21 H new ATOM 0 HA TYR A 23 4.543 -3.037 -2.142 1.00 0.20 H new ATOM 0 HB2 TYR A 23 3.654 -4.758 -0.682 1.00 0.22 H new ATOM 0 HB3 TYR A 23 5.382 -4.615 -0.425 1.00 0.22 H new ATOM 0 HD1 TYR A 23 2.066 -3.725 1.047 1.00 0.22 H new ATOM 0 HD2 TYR A 23 6.259 -4.102 1.728 1.00 0.22 H new ATOM 0 HE1 TYR A 23 1.699 -3.453 3.456 1.00 0.23 H new ATOM 0 HE2 TYR A 23 5.890 -3.829 4.140 1.00 0.23 H new ATOM 0 HH TYR A 23 4.423 -3.523 5.764 1.00 0.25 H new ATOM 345 N THR A 24 2.208 -2.363 -1.774 1.00 0.18 N ATOM 346 CA THR A 24 0.875 -1.797 -1.726 1.00 0.18 C ATOM 347 C THR A 24 -0.134 -2.927 -1.627 1.00 0.16 C ATOM 348 O THR A 24 -0.372 -3.650 -2.595 1.00 0.18 O ATOM 349 CB THR A 24 0.569 -0.935 -2.965 1.00 0.22 C ATOM 350 OG1 THR A 24 1.475 0.173 -3.027 1.00 0.26 O ATOM 351 CG2 THR A 24 -0.864 -0.422 -2.934 1.00 0.25 C ATOM 0 H THR A 24 2.361 -3.001 -2.555 1.00 0.18 H new ATOM 0 HA THR A 24 0.811 -1.147 -0.853 1.00 0.18 H new ATOM 0 HB THR A 24 0.694 -1.559 -3.850 1.00 0.22 H new ATOM 0 HG1 THR A 24 1.275 0.715 -3.818 1.00 0.26 H new ATOM 0 HG21 THR A 24 -1.053 0.184 -3.820 1.00 0.25 H new ATOM 0 HG22 THR A 24 -1.553 -1.267 -2.918 1.00 0.25 H new ATOM 0 HG23 THR A 24 -1.014 0.185 -2.041 1.00 0.25 H new ATOM 359 N LYS A 25 -0.724 -3.072 -0.454 1.00 0.16 N ATOM 360 CA LYS A 25 -1.683 -4.132 -0.211 1.00 0.17 C ATOM 361 C LYS A 25 -3.099 -3.654 -0.455 1.00 0.16 C ATOM 362 O LYS A 25 -3.564 -2.718 0.181 1.00 0.19 O ATOM 363 CB LYS A 25 -1.554 -4.623 1.227 1.00 0.23 C ATOM 364 CG LYS A 25 -1.519 -6.132 1.360 1.00 0.35 C ATOM 365 CD LYS A 25 -0.318 -6.569 2.171 1.00 0.60 C ATOM 366 CE LYS A 25 -0.245 -8.080 2.310 1.00 0.69 C ATOM 367 NZ LYS A 25 0.405 -8.712 1.131 1.00 0.75 N ATOM 0 H LYS A 25 -0.554 -2.465 0.348 1.00 0.16 H new ATOM 0 HA LYS A 25 -1.470 -4.948 -0.902 1.00 0.17 H new ATOM 0 HB2 LYS A 25 -0.644 -4.209 1.662 1.00 0.23 H new ATOM 0 HB3 LYS A 25 -2.390 -4.236 1.809 1.00 0.23 H new ATOM 0 HG2 LYS A 25 -2.434 -6.481 1.838 1.00 0.35 H new ATOM 0 HG3 LYS A 25 -1.482 -6.589 0.371 1.00 0.35 H new ATOM 0 HD2 LYS A 25 0.593 -6.204 1.696 1.00 0.60 H new ATOM 0 HD3 LYS A 25 -0.365 -6.116 3.161 1.00 0.60 H new ATOM 0 HE2 LYS A 25 0.311 -8.336 3.212 1.00 0.69 H new ATOM 0 HE3 LYS A 25 -1.251 -8.483 2.430 1.00 0.69 H new ATOM 0 HZ1 LYS A 25 0.214 -9.734 1.136 1.00 0.75 H new ATOM 0 HZ2 LYS A 25 0.024 -8.293 0.259 1.00 0.75 H new ATOM 0 HZ3 LYS A 25 1.432 -8.551 1.173 1.00 0.75 H new ATOM 381 N THR A 26 -3.775 -4.312 -1.378 1.00 0.18 N ATOM 382 CA THR A 26 -5.150 -3.965 -1.714 1.00 0.21 C ATOM 383 C THR A 26 -6.076 -5.115 -1.351 1.00 0.24 C ATOM 384 O THR A 26 -5.840 -6.257 -1.743 1.00 0.28 O ATOM 385 CB THR A 26 -5.311 -3.627 -3.207 1.00 0.26 C ATOM 386 OG1 THR A 26 -5.097 -4.796 -4.004 1.00 0.35 O ATOM 387 CG2 THR A 26 -4.333 -2.538 -3.623 1.00 0.31 C ATOM 0 H THR A 26 -3.396 -5.094 -1.912 1.00 0.18 H new ATOM 0 HA THR A 26 -5.414 -3.077 -1.140 1.00 0.21 H new ATOM 0 HB THR A 26 -6.326 -3.264 -3.365 1.00 0.26 H new ATOM 0 HG1 THR A 26 -5.390 -5.589 -3.507 1.00 0.35 H new ATOM 0 HG21 THR A 26 -4.465 -2.316 -4.682 1.00 0.31 H new ATOM 0 HG22 THR A 26 -4.520 -1.638 -3.037 1.00 0.31 H new ATOM 0 HG23 THR A 26 -3.313 -2.879 -3.448 1.00 0.31 H new ATOM 395 N TRP A 27 -7.132 -4.814 -0.605 1.00 0.25 N ATOM 396 CA TRP A 27 -8.059 -5.854 -0.171 1.00 0.31 C ATOM 397 C TRP A 27 -9.371 -5.283 0.353 1.00 0.37 C ATOM 398 O TRP A 27 -9.544 -4.067 0.485 1.00 0.38 O ATOM 399 CB TRP A 27 -7.399 -6.683 0.935 1.00 0.32 C ATOM 400 CG TRP A 27 -6.724 -5.816 1.959 1.00 0.30 C ATOM 401 CD1 TRP A 27 -7.098 -4.558 2.315 1.00 0.31 C ATOM 402 CD2 TRP A 27 -5.566 -6.118 2.750 1.00 0.32 C ATOM 403 NE1 TRP A 27 -6.249 -4.052 3.248 1.00 0.32 N ATOM 404 CE2 TRP A 27 -5.307 -4.984 3.543 1.00 0.32 C ATOM 405 CE3 TRP A 27 -4.722 -7.220 2.872 1.00 0.35 C ATOM 406 CZ2 TRP A 27 -4.251 -4.917 4.432 1.00 0.36 C ATOM 407 CZ3 TRP A 27 -3.667 -7.147 3.764 1.00 0.39 C ATOM 408 CH2 TRP A 27 -3.442 -6.002 4.532 1.00 0.39 C ATOM 0 H TRP A 27 -7.367 -3.872 -0.291 1.00 0.25 H new ATOM 0 HA TRP A 27 -8.291 -6.471 -1.039 1.00 0.31 H new ATOM 0 HB2 TRP A 27 -8.152 -7.302 1.423 1.00 0.32 H new ATOM 0 HB3 TRP A 27 -6.667 -7.360 0.494 1.00 0.32 H new ATOM 0 HD1 TRP A 27 -7.952 -4.033 1.912 1.00 0.31 H new ATOM 0 HE1 TRP A 27 -6.310 -3.121 3.660 1.00 0.32 H new ATOM 0 HE3 TRP A 27 -4.888 -8.111 2.284 1.00 0.35 H new ATOM 0 HZ2 TRP A 27 -4.076 -4.032 5.026 1.00 0.36 H new ATOM 0 HZ3 TRP A 27 -3.004 -7.993 3.869 1.00 0.39 H new ATOM 0 HH2 TRP A 27 -2.608 -5.980 5.218 1.00 0.39 H new ATOM 419 N CYS A 28 -10.288 -6.192 0.648 1.00 0.45 N ATOM 420 CA CYS A 28 -11.596 -5.842 1.185 1.00 0.54 C ATOM 421 C CYS A 28 -12.274 -7.074 1.781 1.00 0.62 C ATOM 422 O CYS A 28 -12.603 -8.021 1.065 1.00 0.64 O ATOM 423 CB CYS A 28 -12.468 -5.224 0.091 1.00 0.59 C ATOM 424 SG CYS A 28 -14.189 -5.828 0.051 1.00 1.31 S ATOM 0 H CYS A 28 -10.147 -7.194 0.522 1.00 0.45 H new ATOM 0 HA CYS A 28 -11.463 -5.107 1.979 1.00 0.54 H new ATOM 0 HB2 CYS A 28 -12.481 -4.142 0.224 1.00 0.59 H new ATOM 0 HB3 CYS A 28 -12.006 -5.421 -0.877 1.00 0.59 H new ATOM 429 N ASP A 29 -12.467 -7.063 3.095 1.00 0.69 N ATOM 430 CA ASP A 29 -13.112 -8.179 3.779 1.00 0.78 C ATOM 431 C ASP A 29 -13.823 -7.720 5.046 1.00 0.90 C ATOM 432 O ASP A 29 -14.925 -7.173 4.996 1.00 0.97 O ATOM 433 CB ASP A 29 -12.087 -9.264 4.117 1.00 0.78 C ATOM 434 CG ASP A 29 -10.727 -8.691 4.460 1.00 1.36 C ATOM 435 OD1 ASP A 29 -9.980 -8.336 3.524 1.00 2.22 O ATOM 436 OD2 ASP A 29 -10.406 -8.602 5.664 1.00 1.48 O ATOM 0 H ASP A 29 -12.187 -6.296 3.707 1.00 0.69 H new ATOM 0 HA ASP A 29 -13.860 -8.593 3.102 1.00 0.78 H new ATOM 0 HB2 ASP A 29 -12.451 -9.854 4.958 1.00 0.78 H new ATOM 0 HB3 ASP A 29 -11.989 -9.943 3.270 1.00 0.78 H new ATOM 441 N ALA A 30 -13.176 -7.957 6.179 1.00 0.94 N ATOM 442 CA ALA A 30 -13.721 -7.581 7.479 1.00 1.07 C ATOM 443 C ALA A 30 -14.042 -6.091 7.545 1.00 1.06 C ATOM 444 O ALA A 30 -15.177 -5.702 7.823 1.00 1.16 O ATOM 445 CB ALA A 30 -12.736 -7.947 8.576 1.00 1.13 C ATOM 0 H ALA A 30 -12.264 -8.412 6.225 1.00 0.94 H new ATOM 0 HA ALA A 30 -14.652 -8.129 7.623 1.00 1.07 H new ATOM 0 HB1 ALA A 30 -13.148 -7.664 9.544 1.00 1.13 H new ATOM 0 HB2 ALA A 30 -12.555 -9.022 8.559 1.00 1.13 H new ATOM 0 HB3 ALA A 30 -11.797 -7.418 8.413 1.00 1.13 H new ATOM 451 N TRP A 31 -13.034 -5.266 7.288 1.00 0.98 N ATOM 452 CA TRP A 31 -13.197 -3.816 7.334 1.00 0.99 C ATOM 453 C TRP A 31 -13.903 -3.296 6.085 1.00 0.98 C ATOM 454 O TRP A 31 -14.190 -2.104 5.976 1.00 1.04 O ATOM 455 CB TRP A 31 -11.838 -3.125 7.471 1.00 0.94 C ATOM 456 CG TRP A 31 -10.724 -4.039 7.888 1.00 0.91 C ATOM 457 CD1 TRP A 31 -10.272 -4.253 9.158 1.00 0.98 C ATOM 458 CD2 TRP A 31 -9.917 -4.859 7.031 1.00 0.86 C ATOM 459 NE1 TRP A 31 -9.233 -5.149 9.146 1.00 0.98 N ATOM 460 CE2 TRP A 31 -8.995 -5.537 7.854 1.00 0.91 C ATOM 461 CE3 TRP A 31 -9.882 -5.088 5.652 1.00 0.81 C ATOM 462 CZ2 TRP A 31 -8.050 -6.423 7.342 1.00 0.92 C ATOM 463 CZ3 TRP A 31 -8.944 -5.968 5.145 1.00 0.81 C ATOM 464 CH2 TRP A 31 -8.039 -6.625 5.988 1.00 0.87 C ATOM 0 H TRP A 31 -12.093 -5.576 7.045 1.00 0.98 H new ATOM 0 HA TRP A 31 -13.811 -3.586 8.204 1.00 0.99 H new ATOM 0 HB2 TRP A 31 -11.579 -2.666 6.517 1.00 0.94 H new ATOM 0 HB3 TRP A 31 -11.924 -2.319 8.200 1.00 0.94 H new ATOM 0 HD1 TRP A 31 -10.674 -3.785 10.044 1.00 0.98 H new ATOM 0 HE1 TRP A 31 -8.721 -5.474 9.966 1.00 0.98 H new ATOM 0 HE3 TRP A 31 -10.576 -4.586 4.994 1.00 0.81 H new ATOM 0 HZ2 TRP A 31 -7.351 -6.932 7.990 1.00 0.92 H new ATOM 0 HZ3 TRP A 31 -8.909 -6.152 4.081 1.00 0.81 H new ATOM 0 HH2 TRP A 31 -7.317 -7.305 5.561 1.00 0.87 H new ATOM 475 N CYS A 32 -14.180 -4.193 5.146 1.00 0.94 N ATOM 476 CA CYS A 32 -14.846 -3.815 3.904 1.00 0.97 C ATOM 477 C CYS A 32 -16.302 -3.437 4.158 1.00 1.10 C ATOM 478 O CYS A 32 -16.993 -2.958 3.259 1.00 1.47 O ATOM 479 CB CYS A 32 -14.767 -4.961 2.896 1.00 0.95 C ATOM 480 SG CYS A 32 -15.212 -4.497 1.194 1.00 0.97 S ATOM 0 H CYS A 32 -13.955 -5.185 5.220 1.00 0.94 H new ATOM 0 HA CYS A 32 -14.335 -2.944 3.494 1.00 0.97 H new ATOM 0 HB2 CYS A 32 -13.753 -5.361 2.897 1.00 0.95 H new ATOM 0 HB3 CYS A 32 -15.426 -5.764 3.225 1.00 0.95 H new ATOM 485 N GLY A 33 -16.760 -3.657 5.386 1.00 1.28 N ATOM 486 CA GLY A 33 -18.128 -3.331 5.738 1.00 1.47 C ATOM 487 C GLY A 33 -18.214 -2.151 6.686 1.00 2.07 C ATOM 488 O GLY A 33 -19.199 -1.997 7.409 1.00 2.53 O ATOM 0 H GLY A 33 -16.207 -4.056 6.144 1.00 1.28 H new ATOM 0 HA2 GLY A 33 -18.690 -3.107 4.831 1.00 1.47 H new ATOM 0 HA3 GLY A 33 -18.599 -4.199 6.199 1.00 1.47 H new ATOM 492 N SER A 34 -17.179 -1.316 6.682 1.00 2.44 N ATOM 493 CA SER A 34 -17.138 -0.144 7.549 1.00 3.45 C ATOM 494 C SER A 34 -16.606 1.073 6.800 1.00 3.56 C ATOM 495 O SER A 34 -17.275 2.103 6.718 1.00 4.28 O ATOM 496 CB SER A 34 -16.266 -0.423 8.775 1.00 4.13 C ATOM 497 OG SER A 34 -16.196 0.712 9.621 1.00 4.69 O ATOM 0 H SER A 34 -16.358 -1.430 6.088 1.00 2.44 H new ATOM 0 HA SER A 34 -18.156 0.071 7.874 1.00 3.45 H new ATOM 0 HB2 SER A 34 -16.673 -1.269 9.329 1.00 4.13 H new ATOM 0 HB3 SER A 34 -15.263 -0.704 8.455 1.00 4.13 H new ATOM 0 HG SER A 34 -15.634 0.507 10.397 1.00 4.69 H new ATOM 503 N ARG A 35 -15.401 0.948 6.250 1.00 3.00 N ATOM 504 CA ARG A 35 -14.786 2.043 5.509 1.00 3.12 C ATOM 505 C ARG A 35 -14.925 1.823 4.009 1.00 2.03 C ATOM 506 O ARG A 35 -14.817 2.759 3.218 1.00 2.11 O ATOM 507 CB ARG A 35 -13.308 2.179 5.886 1.00 3.95 C ATOM 508 CG ARG A 35 -13.074 2.307 7.383 1.00 4.47 C ATOM 509 CD ARG A 35 -11.607 2.547 7.701 1.00 5.52 C ATOM 510 NE ARG A 35 -11.376 2.689 9.136 1.00 6.05 N ATOM 511 CZ ARG A 35 -10.186 2.942 9.672 1.00 7.03 C ATOM 512 NH1 ARG A 35 -9.119 3.082 8.897 1.00 7.53 N ATOM 513 NH2 ARG A 35 -10.062 3.057 10.988 1.00 7.71 N ATOM 0 H ARG A 35 -14.834 0.102 6.304 1.00 3.00 H new ATOM 0 HA ARG A 35 -15.303 2.966 5.773 1.00 3.12 H new ATOM 0 HB2 ARG A 35 -12.765 1.310 5.514 1.00 3.95 H new ATOM 0 HB3 ARG A 35 -12.892 3.053 5.385 1.00 3.95 H new ATOM 0 HG2 ARG A 35 -13.672 3.129 7.776 1.00 4.47 H new ATOM 0 HG3 ARG A 35 -13.412 1.400 7.884 1.00 4.47 H new ATOM 0 HD2 ARG A 35 -11.012 1.718 7.318 1.00 5.52 H new ATOM 0 HD3 ARG A 35 -11.267 3.447 7.188 1.00 5.52 H new ATOM 0 HE ARG A 35 -12.174 2.588 9.763 1.00 6.05 H new ATOM 0 HH11 ARG A 35 -9.209 2.996 7.885 1.00 7.53 H new ATOM 0 HH12 ARG A 35 -8.208 3.276 9.313 1.00 7.53 H new ATOM 0 HH21 ARG A 35 -10.880 2.951 11.588 1.00 7.71 H new ATOM 0 HH22 ARG A 35 -9.149 3.251 11.399 1.00 7.71 H new ATOM 527 N GLY A 36 -15.168 0.576 3.634 1.00 1.30 N ATOM 528 CA GLY A 36 -15.328 0.232 2.235 1.00 1.09 C ATOM 529 C GLY A 36 -14.150 -0.550 1.697 1.00 0.99 C ATOM 530 O GLY A 36 -14.239 -1.759 1.490 1.00 1.47 O ATOM 0 H GLY A 36 -15.258 -0.210 4.278 1.00 1.30 H new ATOM 0 HA2 GLY A 36 -16.238 -0.354 2.109 1.00 1.09 H new ATOM 0 HA3 GLY A 36 -15.453 1.144 1.651 1.00 1.09 H new ATOM 534 N LYS A 37 -13.042 0.143 1.470 1.00 0.68 N ATOM 535 CA LYS A 37 -11.848 -0.473 0.952 1.00 0.57 C ATOM 536 C LYS A 37 -10.635 -0.162 1.826 1.00 0.52 C ATOM 537 O LYS A 37 -10.461 0.967 2.284 1.00 0.60 O ATOM 538 CB LYS A 37 -11.602 0.019 -0.468 1.00 0.62 C ATOM 539 CG LYS A 37 -12.692 -0.385 -1.447 1.00 0.84 C ATOM 540 CD LYS A 37 -12.313 -0.047 -2.882 1.00 1.27 C ATOM 541 CE LYS A 37 -12.249 1.456 -3.107 1.00 1.92 C ATOM 542 NZ LYS A 37 -11.893 1.792 -4.513 1.00 2.59 N ATOM 0 H LYS A 37 -12.955 1.145 1.642 1.00 0.68 H new ATOM 0 HA LYS A 37 -11.991 -1.554 0.952 1.00 0.57 H new ATOM 0 HB2 LYS A 37 -11.518 1.106 -0.458 1.00 0.62 H new ATOM 0 HB3 LYS A 37 -10.647 -0.371 -0.819 1.00 0.62 H new ATOM 0 HG2 LYS A 37 -12.879 -1.456 -1.362 1.00 0.84 H new ATOM 0 HG3 LYS A 37 -13.621 0.122 -1.187 1.00 0.84 H new ATOM 0 HD2 LYS A 37 -11.346 -0.492 -3.118 1.00 1.27 H new ATOM 0 HD3 LYS A 37 -13.041 -0.487 -3.564 1.00 1.27 H new ATOM 0 HE2 LYS A 37 -13.213 1.901 -2.860 1.00 1.92 H new ATOM 0 HE3 LYS A 37 -11.513 1.893 -2.432 1.00 1.92 H new ATOM 0 HZ1 LYS A 37 -11.860 2.825 -4.625 1.00 2.59 H new ATOM 0 HZ2 LYS A 37 -10.962 1.389 -4.741 1.00 2.59 H new ATOM 0 HZ3 LYS A 37 -12.608 1.397 -5.156 1.00 2.59 H new ATOM 556 N VAL A 38 -9.800 -1.174 2.055 1.00 0.44 N ATOM 557 CA VAL A 38 -8.596 -1.006 2.863 1.00 0.42 C ATOM 558 C VAL A 38 -7.362 -1.261 2.012 1.00 0.33 C ATOM 559 O VAL A 38 -7.396 -2.073 1.090 1.00 0.29 O ATOM 560 CB VAL A 38 -8.592 -1.957 4.080 1.00 0.50 C ATOM 561 CG1 VAL A 38 -7.362 -1.737 4.959 1.00 1.00 C ATOM 562 CG2 VAL A 38 -9.861 -1.769 4.884 1.00 1.21 C ATOM 0 H VAL A 38 -9.936 -2.118 1.692 1.00 0.44 H new ATOM 0 HA VAL A 38 -8.584 0.019 3.234 1.00 0.42 H new ATOM 0 HB VAL A 38 -8.551 -2.982 3.711 1.00 0.50 H new ATOM 0 HG11 VAL A 38 -7.392 -2.423 5.806 1.00 1.00 H new ATOM 0 HG12 VAL A 38 -6.460 -1.921 4.375 1.00 1.00 H new ATOM 0 HG13 VAL A 38 -7.355 -0.710 5.324 1.00 1.00 H new ATOM 0 HG21 VAL A 38 -9.852 -2.443 5.741 1.00 1.21 H new ATOM 0 HG22 VAL A 38 -9.921 -0.738 5.233 1.00 1.21 H new ATOM 0 HG23 VAL A 38 -10.725 -1.991 4.257 1.00 1.21 H new ATOM 572 N ILE A 39 -6.283 -0.547 2.304 1.00 0.33 N ATOM 573 CA ILE A 39 -5.045 -0.709 1.552 1.00 0.28 C ATOM 574 C ILE A 39 -3.818 -0.408 2.414 1.00 0.33 C ATOM 575 O ILE A 39 -3.627 0.721 2.862 1.00 0.55 O ATOM 576 CB ILE A 39 -5.026 0.186 0.291 1.00 0.32 C ATOM 577 CG1 ILE A 39 -6.025 -0.327 -0.749 1.00 0.31 C ATOM 578 CG2 ILE A 39 -3.628 0.242 -0.304 1.00 0.36 C ATOM 579 CD1 ILE A 39 -6.170 0.578 -1.953 1.00 0.40 C ATOM 0 H ILE A 39 -6.239 0.146 3.051 1.00 0.33 H new ATOM 0 HA ILE A 39 -5.004 -1.753 1.241 1.00 0.28 H new ATOM 0 HB ILE A 39 -5.319 1.194 0.585 1.00 0.32 H new ATOM 0 HG12 ILE A 39 -5.711 -1.315 -1.085 1.00 0.31 H new ATOM 0 HG13 ILE A 39 -7.000 -0.446 -0.276 1.00 0.31 H new ATOM 0 HG21 ILE A 39 -3.635 0.876 -1.190 1.00 0.36 H new ATOM 0 HG22 ILE A 39 -2.936 0.653 0.431 1.00 0.36 H new ATOM 0 HG23 ILE A 39 -3.309 -0.763 -0.580 1.00 0.36 H new ATOM 0 HD11 ILE A 39 -6.894 0.149 -2.646 1.00 0.40 H new ATOM 0 HD12 ILE A 39 -6.514 1.560 -1.630 1.00 0.40 H new ATOM 0 HD13 ILE A 39 -5.206 0.677 -2.452 1.00 0.40 H new ATOM 591 N GLU A 40 -2.987 -1.428 2.638 1.00 0.22 N ATOM 592 CA GLU A 40 -1.773 -1.270 3.442 1.00 0.24 C ATOM 593 C GLU A 40 -0.608 -0.745 2.609 1.00 0.26 C ATOM 594 O GLU A 40 -0.523 -1.000 1.412 1.00 0.54 O ATOM 595 CB GLU A 40 -1.373 -2.602 4.092 1.00 0.28 C ATOM 596 CG GLU A 40 -1.975 -2.805 5.472 1.00 0.62 C ATOM 597 CD GLU A 40 -1.419 -1.837 6.497 1.00 1.31 C ATOM 598 OE1 GLU A 40 -1.913 -0.692 6.561 1.00 1.43 O ATOM 599 OE2 GLU A 40 -0.491 -2.224 7.238 1.00 2.21 O ATOM 0 H GLU A 40 -3.132 -2.370 2.275 1.00 0.22 H new ATOM 0 HA GLU A 40 -1.999 -0.540 4.219 1.00 0.24 H new ATOM 0 HB2 GLU A 40 -1.684 -3.422 3.444 1.00 0.28 H new ATOM 0 HB3 GLU A 40 -0.287 -2.649 4.167 1.00 0.28 H new ATOM 0 HG2 GLU A 40 -3.057 -2.685 5.414 1.00 0.62 H new ATOM 0 HG3 GLU A 40 -1.784 -3.826 5.801 1.00 0.62 H new ATOM 606 N LEU A 41 0.284 -0.003 3.262 1.00 0.19 N ATOM 607 CA LEU A 41 1.463 0.551 2.604 1.00 0.22 C ATOM 608 C LEU A 41 2.672 0.440 3.522 1.00 0.21 C ATOM 609 O LEU A 41 2.637 0.893 4.666 1.00 0.29 O ATOM 610 CB LEU A 41 1.248 2.019 2.216 1.00 0.34 C ATOM 611 CG LEU A 41 0.133 2.278 1.201 1.00 0.36 C ATOM 612 CD1 LEU A 41 0.035 3.764 0.880 1.00 1.06 C ATOM 613 CD2 LEU A 41 0.365 1.478 -0.073 1.00 1.30 C ATOM 0 H LEU A 41 0.211 0.229 4.253 1.00 0.19 H new ATOM 0 HA LEU A 41 1.638 -0.023 1.694 1.00 0.22 H new ATOM 0 HB2 LEU A 41 1.031 2.587 3.120 1.00 0.34 H new ATOM 0 HB3 LEU A 41 2.182 2.410 1.811 1.00 0.34 H new ATOM 0 HG LEU A 41 -0.809 1.955 1.644 1.00 0.36 H new ATOM 0 HD11 LEU A 41 -0.764 3.928 0.156 1.00 1.06 H new ATOM 0 HD12 LEU A 41 -0.182 4.320 1.792 1.00 1.06 H new ATOM 0 HD13 LEU A 41 0.980 4.109 0.461 1.00 1.06 H new ATOM 0 HD21 LEU A 41 -0.440 1.678 -0.780 1.00 1.30 H new ATOM 0 HD22 LEU A 41 1.318 1.768 -0.516 1.00 1.30 H new ATOM 0 HD23 LEU A 41 0.384 0.414 0.164 1.00 1.30 H new ATOM 625 N GLY A 42 3.739 -0.164 3.019 1.00 0.21 N ATOM 626 CA GLY A 42 4.938 -0.325 3.822 1.00 0.22 C ATOM 627 C GLY A 42 6.170 -0.631 2.996 1.00 0.20 C ATOM 628 O GLY A 42 6.280 -0.205 1.846 1.00 0.24 O ATOM 0 H GLY A 42 3.798 -0.544 2.074 1.00 0.21 H new ATOM 0 HA2 GLY A 42 5.109 0.586 4.395 1.00 0.22 H new ATOM 0 HA3 GLY A 42 4.781 -1.129 4.541 1.00 0.22 H new ATOM 632 N CYS A 43 7.101 -1.375 3.588 1.00 0.21 N ATOM 633 CA CYS A 43 8.341 -1.736 2.912 1.00 0.21 C ATOM 634 C CYS A 43 8.693 -3.201 3.169 1.00 0.17 C ATOM 635 O CYS A 43 8.280 -3.778 4.175 1.00 0.22 O ATOM 636 CB CYS A 43 9.478 -0.836 3.397 1.00 0.26 C ATOM 637 SG CYS A 43 10.565 -0.227 2.070 1.00 1.25 S ATOM 0 H CYS A 43 7.018 -1.740 4.537 1.00 0.21 H new ATOM 0 HA CYS A 43 8.202 -1.598 1.840 1.00 0.21 H new ATOM 0 HB2 CYS A 43 9.051 0.018 3.923 1.00 0.26 H new ATOM 0 HB3 CYS A 43 10.079 -1.387 4.120 1.00 0.26 H new ATOM 642 N ALA A 44 9.455 -3.795 2.254 1.00 0.19 N ATOM 643 CA ALA A 44 9.859 -5.187 2.384 1.00 0.19 C ATOM 644 C ALA A 44 11.113 -5.472 1.572 1.00 0.18 C ATOM 645 O ALA A 44 11.316 -4.903 0.501 1.00 0.20 O ATOM 646 CB ALA A 44 8.726 -6.101 1.958 1.00 0.23 C ATOM 0 H ALA A 44 9.804 -3.331 1.415 1.00 0.19 H new ATOM 0 HA ALA A 44 10.091 -5.380 3.431 1.00 0.19 H new ATOM 0 HB1 ALA A 44 9.039 -7.140 2.059 1.00 0.23 H new ATOM 0 HB2 ALA A 44 7.856 -5.921 2.590 1.00 0.23 H new ATOM 0 HB3 ALA A 44 8.467 -5.900 0.918 1.00 0.23 H new ATOM 652 N ALA A 45 11.955 -6.353 2.097 1.00 0.19 N ATOM 653 CA ALA A 45 13.192 -6.720 1.425 1.00 0.21 C ATOM 654 C ALA A 45 12.910 -7.335 0.060 1.00 0.20 C ATOM 655 O ALA A 45 13.743 -7.270 -0.844 1.00 0.22 O ATOM 656 CB ALA A 45 13.985 -7.690 2.284 1.00 0.24 C ATOM 0 H ALA A 45 11.802 -6.826 2.987 1.00 0.19 H new ATOM 0 HA ALA A 45 13.780 -5.815 1.274 1.00 0.21 H new ATOM 0 HB1 ALA A 45 14.909 -7.958 1.772 1.00 0.24 H new ATOM 0 HB2 ALA A 45 14.223 -7.220 3.239 1.00 0.24 H new ATOM 0 HB3 ALA A 45 13.393 -8.589 2.459 1.00 0.24 H new ATOM 662 N THR A 46 11.727 -7.928 -0.085 1.00 0.19 N ATOM 663 CA THR A 46 11.342 -8.563 -1.342 1.00 0.21 C ATOM 664 C THR A 46 9.836 -8.483 -1.584 1.00 0.20 C ATOM 665 O THR A 46 9.041 -8.585 -0.650 1.00 0.22 O ATOM 666 CB THR A 46 11.766 -10.041 -1.372 1.00 0.24 C ATOM 667 OG1 THR A 46 11.350 -10.696 -0.167 1.00 0.25 O ATOM 668 CG2 THR A 46 13.273 -10.178 -1.536 1.00 0.31 C ATOM 0 H THR A 46 11.021 -7.982 0.650 1.00 0.19 H new ATOM 0 HA THR A 46 11.858 -8.016 -2.131 1.00 0.21 H new ATOM 0 HB THR A 46 11.283 -10.512 -2.228 1.00 0.24 H new ATOM 0 HG1 THR A 46 11.622 -11.637 -0.195 1.00 0.25 H new ATOM 0 HG21 THR A 46 13.543 -11.234 -1.554 1.00 0.31 H new ATOM 0 HG22 THR A 46 13.581 -9.709 -2.470 1.00 0.31 H new ATOM 0 HG23 THR A 46 13.776 -9.689 -0.701 1.00 0.31 H new ATOM 676 N CYS A 47 9.464 -8.299 -2.852 1.00 0.21 N ATOM 677 CA CYS A 47 8.063 -8.217 -3.263 1.00 0.24 C ATOM 678 C CYS A 47 7.200 -9.283 -2.577 1.00 0.25 C ATOM 679 O CYS A 47 7.255 -10.458 -2.942 1.00 0.32 O ATOM 680 CB CYS A 47 7.973 -8.389 -4.781 1.00 0.29 C ATOM 681 SG CYS A 47 6.282 -8.309 -5.454 1.00 0.32 S ATOM 0 H CYS A 47 10.126 -8.203 -3.622 1.00 0.21 H new ATOM 0 HA CYS A 47 7.682 -7.240 -2.965 1.00 0.24 H new ATOM 0 HB2 CYS A 47 8.577 -7.616 -5.257 1.00 0.29 H new ATOM 0 HB3 CYS A 47 8.413 -9.349 -5.051 1.00 0.29 H new ATOM 686 N PRO A 48 6.396 -8.889 -1.567 1.00 0.27 N ATOM 687 CA PRO A 48 5.514 -9.809 -0.835 1.00 0.33 C ATOM 688 C PRO A 48 4.626 -10.654 -1.732 1.00 0.36 C ATOM 689 O PRO A 48 4.462 -10.375 -2.921 1.00 0.36 O ATOM 690 CB PRO A 48 4.657 -8.856 -0.013 1.00 0.38 C ATOM 691 CG PRO A 48 5.583 -7.754 0.283 1.00 0.49 C ATOM 692 CD PRO A 48 6.285 -7.519 -1.019 1.00 0.35 C ATOM 0 HA PRO A 48 6.087 -10.537 -0.261 1.00 0.33 H new ATOM 0 HB2 PRO A 48 3.786 -8.513 -0.571 1.00 0.38 H new ATOM 0 HB3 PRO A 48 4.287 -9.328 0.897 1.00 0.38 H new ATOM 0 HG2 PRO A 48 5.051 -6.863 0.617 1.00 0.49 H new ATOM 0 HG3 PRO A 48 6.284 -8.022 1.073 1.00 0.49 H new ATOM 0 HD2 PRO A 48 5.715 -6.863 -1.676 1.00 0.35 H new ATOM 0 HD3 PRO A 48 7.262 -7.057 -0.877 1.00 0.35 H new ATOM 700 N THR A 49 4.057 -11.690 -1.135 1.00 0.42 N ATOM 701 CA THR A 49 3.161 -12.598 -1.840 1.00 0.49 C ATOM 702 C THR A 49 1.771 -12.574 -1.216 1.00 0.50 C ATOM 703 O THR A 49 1.627 -12.354 -0.013 1.00 0.54 O ATOM 704 CB THR A 49 3.691 -14.043 -1.838 1.00 0.63 C ATOM 705 OG1 THR A 49 4.355 -14.323 -0.601 1.00 0.69 O ATOM 706 CG2 THR A 49 4.646 -14.269 -3.000 1.00 0.68 C ATOM 0 H THR A 49 4.201 -11.926 -0.153 1.00 0.42 H new ATOM 0 HA THR A 49 3.107 -12.252 -2.872 1.00 0.49 H new ATOM 0 HB THR A 49 2.843 -14.718 -1.950 1.00 0.63 H new ATOM 0 HG1 THR A 49 4.687 -15.245 -0.609 1.00 0.69 H new ATOM 0 HG21 THR A 49 5.008 -15.297 -2.979 1.00 0.68 H new ATOM 0 HG22 THR A 49 4.125 -14.087 -3.940 1.00 0.68 H new ATOM 0 HG23 THR A 49 5.490 -13.585 -2.915 1.00 0.68 H new ATOM 714 N VAL A 50 0.751 -12.801 -2.035 1.00 0.54 N ATOM 715 CA VAL A 50 -0.627 -12.792 -1.556 1.00 0.58 C ATOM 716 C VAL A 50 -1.417 -13.983 -2.085 1.00 0.75 C ATOM 717 O VAL A 50 -0.876 -14.843 -2.779 1.00 0.84 O ATOM 718 CB VAL A 50 -1.348 -11.494 -1.962 1.00 0.50 C ATOM 719 CG1 VAL A 50 -0.740 -10.300 -1.245 1.00 0.42 C ATOM 720 CG2 VAL A 50 -1.293 -11.305 -3.471 1.00 0.57 C ATOM 0 H VAL A 50 0.851 -12.993 -3.032 1.00 0.54 H new ATOM 0 HA VAL A 50 -0.578 -12.856 -0.469 1.00 0.58 H new ATOM 0 HB VAL A 50 -2.394 -11.571 -1.666 1.00 0.50 H new ATOM 0 HG11 VAL A 50 -1.262 -9.391 -1.544 1.00 0.42 H new ATOM 0 HG12 VAL A 50 -0.835 -10.435 -0.168 1.00 0.42 H new ATOM 0 HG13 VAL A 50 0.314 -10.216 -1.508 1.00 0.42 H new ATOM 0 HG21 VAL A 50 -1.807 -10.383 -3.741 1.00 0.57 H new ATOM 0 HG22 VAL A 50 -0.253 -11.248 -3.793 1.00 0.57 H new ATOM 0 HG23 VAL A 50 -1.779 -12.148 -3.961 1.00 0.57 H new ATOM 730 N GLU A 51 -2.704 -14.024 -1.747 1.00 0.81 N ATOM 731 CA GLU A 51 -3.576 -15.108 -2.183 1.00 0.98 C ATOM 732 C GLU A 51 -4.588 -14.618 -3.224 1.00 0.93 C ATOM 733 O GLU A 51 -4.220 -13.922 -4.171 1.00 0.92 O ATOM 734 CB GLU A 51 -4.288 -15.735 -0.980 1.00 1.09 C ATOM 735 CG GLU A 51 -5.005 -14.732 -0.092 1.00 0.99 C ATOM 736 CD GLU A 51 -5.669 -15.392 1.101 1.00 1.22 C ATOM 737 OE1 GLU A 51 -6.674 -16.105 0.900 1.00 1.39 O ATOM 738 OE2 GLU A 51 -5.183 -15.197 2.234 1.00 1.31 O ATOM 0 H GLU A 51 -3.164 -13.318 -1.172 1.00 0.81 H new ATOM 0 HA GLU A 51 -2.960 -15.873 -2.656 1.00 0.98 H new ATOM 0 HB2 GLU A 51 -5.011 -16.467 -1.340 1.00 1.09 H new ATOM 0 HB3 GLU A 51 -3.557 -16.277 -0.381 1.00 1.09 H new ATOM 0 HG2 GLU A 51 -4.292 -13.986 0.259 1.00 0.99 H new ATOM 0 HG3 GLU A 51 -5.757 -14.204 -0.678 1.00 0.99 H new ATOM 745 N SER A 52 -5.859 -14.981 -3.050 1.00 0.98 N ATOM 746 CA SER A 52 -6.899 -14.593 -3.995 1.00 0.97 C ATOM 747 C SER A 52 -7.520 -13.237 -3.661 1.00 0.78 C ATOM 748 O SER A 52 -7.233 -12.238 -4.322 1.00 0.75 O ATOM 749 CB SER A 52 -7.991 -15.663 -4.045 1.00 1.11 C ATOM 750 OG SER A 52 -9.016 -15.303 -4.956 1.00 1.15 O ATOM 0 H SER A 52 -6.190 -15.542 -2.265 1.00 0.98 H new ATOM 0 HA SER A 52 -6.423 -14.501 -4.971 1.00 0.97 H new ATOM 0 HB2 SER A 52 -7.556 -16.618 -4.341 1.00 1.11 H new ATOM 0 HB3 SER A 52 -8.416 -15.801 -3.051 1.00 1.11 H new ATOM 0 HG SER A 52 -9.701 -16.004 -4.971 1.00 1.15 H new ATOM 756 N TYR A 53 -8.370 -13.207 -2.638 1.00 0.73 N ATOM 757 CA TYR A 53 -9.048 -11.973 -2.245 1.00 0.62 C ATOM 758 C TYR A 53 -8.055 -10.882 -1.852 1.00 0.57 C ATOM 759 O TYR A 53 -8.394 -9.698 -1.858 1.00 0.72 O ATOM 760 CB TYR A 53 -10.028 -12.239 -1.095 1.00 0.64 C ATOM 761 CG TYR A 53 -9.377 -12.358 0.265 1.00 0.69 C ATOM 762 CD1 TYR A 53 -8.835 -13.563 0.696 1.00 0.93 C ATOM 763 CD2 TYR A 53 -9.312 -11.266 1.123 1.00 0.66 C ATOM 764 CE1 TYR A 53 -8.246 -13.674 1.941 1.00 1.05 C ATOM 765 CE2 TYR A 53 -8.724 -11.370 2.369 1.00 0.77 C ATOM 766 CZ TYR A 53 -8.192 -12.576 2.773 1.00 0.94 C ATOM 767 OH TYR A 53 -7.606 -12.684 4.012 1.00 1.10 O ATOM 0 H TYR A 53 -8.606 -14.019 -2.068 1.00 0.73 H new ATOM 0 HA TYR A 53 -9.606 -11.618 -3.111 1.00 0.62 H new ATOM 0 HB2 TYR A 53 -10.761 -11.433 -1.064 1.00 0.64 H new ATOM 0 HB3 TYR A 53 -10.574 -13.159 -1.305 1.00 0.64 H new ATOM 0 HD1 TYR A 53 -8.875 -14.426 0.048 1.00 0.93 H new ATOM 0 HD2 TYR A 53 -9.728 -10.320 0.810 1.00 0.66 H new ATOM 0 HE1 TYR A 53 -7.829 -14.618 2.261 1.00 1.05 H new ATOM 0 HE2 TYR A 53 -8.681 -10.511 3.023 1.00 0.77 H new ATOM 0 HH TYR A 53 -7.650 -11.819 4.471 1.00 1.10 H new ATOM 777 N GLN A 54 -6.833 -11.277 -1.513 1.00 0.61 N ATOM 778 CA GLN A 54 -5.808 -10.324 -1.123 1.00 0.70 C ATOM 779 C GLN A 54 -4.850 -10.068 -2.284 1.00 0.66 C ATOM 780 O GLN A 54 -4.451 -10.998 -2.985 1.00 0.81 O ATOM 781 CB GLN A 54 -5.067 -10.868 0.095 1.00 0.85 C ATOM 782 CG GLN A 54 -3.758 -10.166 0.410 1.00 0.89 C ATOM 783 CD GLN A 54 -2.776 -11.099 1.084 1.00 1.62 C ATOM 784 OE1 GLN A 54 -2.876 -12.383 0.755 1.00 2.37 O flip ATOM 785 NE2 GLN A 54 -1.942 -10.677 1.885 1.00 1.90 N flip ATOM 0 H GLN A 54 -6.531 -12.251 -1.501 1.00 0.61 H new ATOM 0 HA GLN A 54 -6.268 -9.371 -0.863 1.00 0.70 H new ATOM 0 HB2 GLN A 54 -5.721 -10.794 0.964 1.00 0.85 H new ATOM 0 HB3 GLN A 54 -4.866 -11.928 -0.063 1.00 0.85 H new ATOM 0 HG2 GLN A 54 -3.321 -9.779 -0.511 1.00 0.89 H new ATOM 0 HG3 GLN A 54 -3.950 -9.309 1.056 1.00 0.89 H new ATOM 0 HE21 GLN A 54 -1.904 -9.682 2.105 1.00 1.90 H new ATOM 0 HE22 GLN A 54 -1.288 -11.323 2.328 1.00 1.90 H new ATOM 794 N ASP A 55 -4.484 -8.803 -2.483 1.00 0.50 N ATOM 795 CA ASP A 55 -3.582 -8.435 -3.573 1.00 0.46 C ATOM 796 C ASP A 55 -2.442 -7.552 -3.075 1.00 0.40 C ATOM 797 O ASP A 55 -2.556 -6.907 -2.032 1.00 0.38 O ATOM 798 CB ASP A 55 -4.353 -7.710 -4.678 1.00 0.49 C ATOM 799 CG ASP A 55 -3.871 -8.089 -6.065 1.00 0.70 C ATOM 800 OD1 ASP A 55 -4.382 -9.085 -6.619 1.00 0.90 O ATOM 801 OD2 ASP A 55 -2.982 -7.391 -6.595 1.00 0.84 O ATOM 0 H ASP A 55 -4.796 -8.020 -1.908 1.00 0.50 H new ATOM 0 HA ASP A 55 -3.154 -9.353 -3.974 1.00 0.46 H new ATOM 0 HB2 ASP A 55 -5.414 -7.943 -4.589 1.00 0.49 H new ATOM 0 HB3 ASP A 55 -4.250 -6.633 -4.542 1.00 0.49 H new ATOM 806 N ILE A 56 -1.343 -7.530 -3.826 1.00 0.38 N ATOM 807 CA ILE A 56 -0.184 -6.725 -3.456 1.00 0.34 C ATOM 808 C ILE A 56 0.612 -6.278 -4.680 1.00 0.33 C ATOM 809 O ILE A 56 0.580 -6.926 -5.727 1.00 0.36 O ATOM 810 CB ILE A 56 0.758 -7.501 -2.518 1.00 0.37 C ATOM 811 CG1 ILE A 56 1.833 -6.571 -1.958 1.00 0.62 C ATOM 812 CG2 ILE A 56 1.396 -8.672 -3.251 1.00 0.49 C ATOM 813 CD1 ILE A 56 1.961 -6.646 -0.457 1.00 0.55 C ATOM 0 H ILE A 56 -1.232 -8.059 -4.691 1.00 0.38 H new ATOM 0 HA ILE A 56 -0.574 -5.846 -2.943 1.00 0.34 H new ATOM 0 HB ILE A 56 0.172 -7.895 -1.687 1.00 0.37 H new ATOM 0 HG12 ILE A 56 2.792 -6.821 -2.411 1.00 0.62 H new ATOM 0 HG13 ILE A 56 1.603 -5.545 -2.246 1.00 0.62 H new ATOM 0 HG21 ILE A 56 2.059 -9.209 -2.572 1.00 0.49 H new ATOM 0 HG22 ILE A 56 0.617 -9.346 -3.607 1.00 0.49 H new ATOM 0 HG23 ILE A 56 1.970 -8.301 -4.100 1.00 0.49 H new ATOM 0 HD11 ILE A 56 2.741 -5.962 -0.124 1.00 0.55 H new ATOM 0 HD12 ILE A 56 1.013 -6.368 0.003 1.00 0.55 H new ATOM 0 HD13 ILE A 56 2.221 -7.663 -0.164 1.00 0.55 H new ATOM 825 N LYS A 57 1.323 -5.164 -4.534 1.00 0.34 N ATOM 826 CA LYS A 57 2.162 -4.636 -5.603 1.00 0.36 C ATOM 827 C LYS A 57 3.518 -4.253 -5.031 1.00 0.33 C ATOM 828 O LYS A 57 3.619 -3.853 -3.872 1.00 0.53 O ATOM 829 CB LYS A 57 1.501 -3.431 -6.282 1.00 0.40 C ATOM 830 CG LYS A 57 2.088 -2.085 -5.881 1.00 1.32 C ATOM 831 CD LYS A 57 1.257 -0.926 -6.412 1.00 1.62 C ATOM 832 CE LYS A 57 1.319 -0.838 -7.929 1.00 2.06 C ATOM 833 NZ LYS A 57 0.496 0.286 -8.451 1.00 2.48 N ATOM 0 H LYS A 57 1.334 -4.607 -3.680 1.00 0.34 H new ATOM 0 HA LYS A 57 2.293 -5.406 -6.363 1.00 0.36 H new ATOM 0 HB2 LYS A 57 1.588 -3.545 -7.363 1.00 0.40 H new ATOM 0 HB3 LYS A 57 0.437 -3.435 -6.046 1.00 0.40 H new ATOM 0 HG2 LYS A 57 2.146 -2.023 -4.794 1.00 1.32 H new ATOM 0 HG3 LYS A 57 3.107 -2.005 -6.260 1.00 1.32 H new ATOM 0 HD2 LYS A 57 0.221 -1.047 -6.097 1.00 1.62 H new ATOM 0 HD3 LYS A 57 1.616 0.008 -5.978 1.00 1.62 H new ATOM 0 HE2 LYS A 57 2.354 -0.707 -8.244 1.00 2.06 H new ATOM 0 HE3 LYS A 57 0.970 -1.776 -8.362 1.00 2.06 H new ATOM 0 HZ1 LYS A 57 0.564 0.313 -9.488 1.00 2.48 H new ATOM 0 HZ2 LYS A 57 -0.496 0.148 -8.172 1.00 2.48 H new ATOM 0 HZ3 LYS A 57 0.845 1.183 -8.058 1.00 2.48 H new ATOM 847 N CYS A 58 4.558 -4.379 -5.838 1.00 0.23 N ATOM 848 CA CYS A 58 5.903 -4.058 -5.388 1.00 0.21 C ATOM 849 C CYS A 58 6.593 -3.045 -6.290 1.00 0.17 C ATOM 850 O CYS A 58 6.459 -3.078 -7.514 1.00 0.29 O ATOM 851 CB CYS A 58 6.737 -5.332 -5.301 1.00 0.31 C ATOM 852 SG CYS A 58 6.295 -6.595 -6.535 1.00 1.04 S ATOM 0 H CYS A 58 4.498 -4.700 -6.804 1.00 0.23 H new ATOM 0 HA CYS A 58 5.815 -3.602 -4.402 1.00 0.21 H new ATOM 0 HB2 CYS A 58 7.789 -5.074 -5.422 1.00 0.31 H new ATOM 0 HB3 CYS A 58 6.626 -5.759 -4.304 1.00 0.31 H new ATOM 857 N CYS A 59 7.336 -2.147 -5.657 1.00 0.20 N ATOM 858 CA CYS A 59 8.084 -1.111 -6.355 1.00 0.22 C ATOM 859 C CYS A 59 9.340 -0.777 -5.569 1.00 0.18 C ATOM 860 O CYS A 59 9.538 -1.281 -4.469 1.00 0.30 O ATOM 861 CB CYS A 59 7.239 0.151 -6.524 1.00 0.38 C ATOM 862 SG CYS A 59 5.685 -0.093 -7.442 1.00 0.68 S ATOM 0 H CYS A 59 7.437 -2.117 -4.642 1.00 0.20 H new ATOM 0 HA CYS A 59 8.351 -1.484 -7.344 1.00 0.22 H new ATOM 0 HB2 CYS A 59 7.004 0.549 -5.537 1.00 0.38 H new ATOM 0 HB3 CYS A 59 7.835 0.905 -7.038 1.00 0.38 H new ATOM 867 N SER A 60 10.183 0.072 -6.126 1.00 0.20 N ATOM 868 CA SER A 60 11.413 0.464 -5.450 1.00 0.21 C ATOM 869 C SER A 60 11.475 1.982 -5.291 1.00 0.16 C ATOM 870 O SER A 60 12.552 2.579 -5.269 1.00 0.22 O ATOM 871 CB SER A 60 12.631 -0.067 -6.214 1.00 0.31 C ATOM 872 OG SER A 60 13.839 0.481 -5.713 1.00 1.22 O ATOM 0 H SER A 60 10.043 0.503 -7.040 1.00 0.20 H new ATOM 0 HA SER A 60 11.423 0.024 -4.453 1.00 0.21 H new ATOM 0 HB2 SER A 60 12.664 -1.154 -6.137 1.00 0.31 H new ATOM 0 HB3 SER A 60 12.532 0.175 -7.272 1.00 0.31 H new ATOM 0 HG SER A 60 13.707 1.430 -5.507 1.00 1.22 H new ATOM 878 N THR A 61 10.300 2.594 -5.164 1.00 0.17 N ATOM 879 CA THR A 61 10.192 4.039 -4.991 1.00 0.18 C ATOM 880 C THR A 61 8.756 4.442 -4.664 1.00 0.15 C ATOM 881 O THR A 61 7.807 3.830 -5.154 1.00 0.15 O ATOM 882 CB THR A 61 10.655 4.797 -6.250 1.00 0.24 C ATOM 883 OG1 THR A 61 10.486 6.207 -6.063 1.00 1.25 O ATOM 884 CG2 THR A 61 9.871 4.346 -7.475 1.00 1.07 C ATOM 0 H THR A 61 9.404 2.107 -5.178 1.00 0.17 H new ATOM 0 HA THR A 61 10.844 4.309 -4.160 1.00 0.18 H new ATOM 0 HB THR A 61 11.710 4.575 -6.412 1.00 0.24 H new ATOM 0 HG1 THR A 61 10.784 6.682 -6.867 1.00 1.25 H new ATOM 0 HG21 THR A 61 10.216 4.896 -8.351 1.00 1.07 H new ATOM 0 HG22 THR A 61 10.025 3.278 -7.633 1.00 1.07 H new ATOM 0 HG23 THR A 61 8.810 4.541 -7.320 1.00 1.07 H new ATOM 892 N ASP A 62 8.602 5.465 -3.826 1.00 0.17 N ATOM 893 CA ASP A 62 7.282 5.948 -3.441 1.00 0.18 C ATOM 894 C ASP A 62 6.476 6.373 -4.664 1.00 0.17 C ATOM 895 O ASP A 62 5.251 6.248 -4.684 1.00 0.18 O ATOM 896 CB ASP A 62 7.403 7.119 -2.465 1.00 0.23 C ATOM 897 CG ASP A 62 8.121 8.307 -3.073 1.00 0.25 C ATOM 898 OD1 ASP A 62 9.368 8.341 -3.011 1.00 0.29 O ATOM 899 OD2 ASP A 62 7.438 9.203 -3.611 1.00 0.28 O ATOM 0 H ASP A 62 9.377 5.974 -3.401 1.00 0.17 H new ATOM 0 HA ASP A 62 6.758 5.129 -2.949 1.00 0.18 H new ATOM 0 HB2 ASP A 62 6.407 7.425 -2.144 1.00 0.23 H new ATOM 0 HB3 ASP A 62 7.938 6.792 -1.574 1.00 0.23 H new ATOM 904 N ASP A 63 7.170 6.877 -5.682 1.00 0.22 N ATOM 905 CA ASP A 63 6.513 7.314 -6.910 1.00 0.27 C ATOM 906 C ASP A 63 5.748 6.158 -7.546 1.00 0.25 C ATOM 907 O ASP A 63 4.881 6.361 -8.397 1.00 0.32 O ATOM 908 CB ASP A 63 7.543 7.868 -7.897 1.00 0.36 C ATOM 909 CG ASP A 63 6.906 8.396 -9.168 1.00 1.08 C ATOM 910 OD1 ASP A 63 6.547 9.593 -9.199 1.00 1.39 O ATOM 911 OD2 ASP A 63 6.763 7.614 -10.131 1.00 1.76 O ATOM 0 H ASP A 63 8.183 6.992 -5.681 1.00 0.22 H new ATOM 0 HA ASP A 63 5.806 8.105 -6.659 1.00 0.27 H new ATOM 0 HB2 ASP A 63 8.107 8.668 -7.418 1.00 0.36 H new ATOM 0 HB3 ASP A 63 8.256 7.084 -8.151 1.00 0.36 H new ATOM 916 N CYS A 64 6.079 4.944 -7.122 1.00 0.25 N ATOM 917 CA CYS A 64 5.431 3.743 -7.630 1.00 0.28 C ATOM 918 C CYS A 64 4.598 3.080 -6.535 1.00 0.25 C ATOM 919 O CYS A 64 3.826 2.159 -6.802 1.00 0.31 O ATOM 920 CB CYS A 64 6.478 2.766 -8.167 1.00 0.32 C ATOM 921 SG CYS A 64 5.784 1.270 -8.950 1.00 0.41 S ATOM 0 H CYS A 64 6.799 4.766 -6.422 1.00 0.25 H new ATOM 0 HA CYS A 64 4.765 4.026 -8.445 1.00 0.28 H new ATOM 0 HB2 CYS A 64 7.102 3.285 -8.894 1.00 0.32 H new ATOM 0 HB3 CYS A 64 7.129 2.463 -7.347 1.00 0.32 H new ATOM 926 N ASN A 65 4.756 3.560 -5.300 1.00 0.24 N ATOM 927 CA ASN A 65 4.007 3.017 -4.171 1.00 0.24 C ATOM 928 C ASN A 65 3.164 4.111 -3.482 1.00 0.25 C ATOM 929 O ASN A 65 3.518 4.630 -2.420 1.00 0.35 O ATOM 930 CB ASN A 65 4.956 2.315 -3.174 1.00 0.25 C ATOM 931 CG ASN A 65 4.676 2.675 -1.735 1.00 0.67 C ATOM 932 OD1 ASN A 65 5.302 3.570 -1.195 1.00 1.59 O ATOM 933 ND2 ASN A 65 3.721 2.008 -1.112 1.00 0.46 N ATOM 0 H ASN A 65 5.393 4.320 -5.059 1.00 0.24 H new ATOM 0 HA ASN A 65 3.312 2.268 -4.551 1.00 0.24 H new ATOM 0 HB2 ASN A 65 4.867 1.235 -3.296 1.00 0.25 H new ATOM 0 HB3 ASN A 65 5.986 2.579 -3.414 1.00 0.25 H new ATOM 0 HD21 ASN A 65 3.486 2.236 -0.146 1.00 0.46 H new ATOM 0 HD22 ASN A 65 3.218 1.265 -1.597 1.00 0.46 H new ATOM 940 N PRO A 66 2.075 4.548 -4.143 1.00 0.25 N ATOM 941 CA PRO A 66 1.151 5.530 -3.605 1.00 0.29 C ATOM 942 C PRO A 66 -0.187 4.899 -3.222 1.00 0.31 C ATOM 943 O PRO A 66 -0.340 3.678 -3.254 1.00 0.64 O ATOM 944 CB PRO A 66 0.975 6.411 -4.823 1.00 0.34 C ATOM 945 CG PRO A 66 0.837 5.416 -5.929 1.00 0.46 C ATOM 946 CD PRO A 66 1.705 4.234 -5.534 1.00 0.30 C ATOM 0 HA PRO A 66 1.499 6.027 -2.699 1.00 0.29 H new ATOM 0 HB2 PRO A 66 0.094 7.048 -4.739 1.00 0.34 H new ATOM 0 HB3 PRO A 66 1.831 7.069 -4.974 1.00 0.34 H new ATOM 0 HG2 PRO A 66 -0.202 5.113 -6.055 1.00 0.46 H new ATOM 0 HG3 PRO A 66 1.163 5.840 -6.879 1.00 0.46 H new ATOM 0 HD2 PRO A 66 1.161 3.292 -5.605 1.00 0.30 H new ATOM 0 HD3 PRO A 66 2.582 4.145 -6.175 1.00 0.30 H new ATOM 954 N HIS A 67 -1.150 5.737 -2.860 1.00 0.26 N ATOM 955 CA HIS A 67 -2.484 5.267 -2.511 1.00 0.30 C ATOM 956 C HIS A 67 -3.372 5.263 -3.759 1.00 0.39 C ATOM 957 O HIS A 67 -3.604 6.313 -4.359 1.00 0.56 O ATOM 958 CB HIS A 67 -3.100 6.163 -1.435 1.00 0.39 C ATOM 959 CG HIS A 67 -4.141 5.472 -0.614 1.00 0.44 C ATOM 960 ND1 HIS A 67 -5.491 5.725 -0.735 1.00 0.59 N ATOM 961 CD2 HIS A 67 -4.021 4.530 0.347 1.00 0.46 C ATOM 962 CE1 HIS A 67 -6.157 4.967 0.120 1.00 0.64 C ATOM 963 NE2 HIS A 67 -5.287 4.233 0.788 1.00 0.56 N ATOM 0 H HIS A 67 -1.031 6.748 -2.800 1.00 0.26 H new ATOM 0 HA HIS A 67 -2.409 4.253 -2.118 1.00 0.30 H new ATOM 0 HB2 HIS A 67 -2.310 6.525 -0.777 1.00 0.39 H new ATOM 0 HB3 HIS A 67 -3.544 7.037 -1.911 1.00 0.39 H new ATOM 0 HD2 HIS A 67 -3.100 4.092 0.702 1.00 0.46 H new ATOM 0 HE1 HIS A 67 -7.229 4.951 0.249 1.00 0.64 H new ATOM 0 HE2 HIS A 67 -5.518 3.555 1.514 1.00 0.56 H new ATOM 972 N PRO A 68 -3.882 4.086 -4.175 1.00 0.43 N ATOM 973 CA PRO A 68 -4.733 3.967 -5.370 1.00 0.57 C ATOM 974 C PRO A 68 -5.952 4.885 -5.330 1.00 0.75 C ATOM 975 O PRO A 68 -6.388 5.394 -6.363 1.00 0.94 O ATOM 976 CB PRO A 68 -5.165 2.498 -5.341 1.00 0.71 C ATOM 977 CG PRO A 68 -4.070 1.814 -4.608 1.00 0.86 C ATOM 978 CD PRO A 68 -3.681 2.775 -3.527 1.00 0.53 C ATOM 0 HA PRO A 68 -4.202 4.260 -6.276 1.00 0.57 H new ATOM 0 HB2 PRO A 68 -6.122 2.374 -4.835 1.00 0.71 H new ATOM 0 HB3 PRO A 68 -5.282 2.097 -6.348 1.00 0.71 H new ATOM 0 HG2 PRO A 68 -4.405 0.864 -4.192 1.00 0.86 H new ATOM 0 HG3 PRO A 68 -3.229 1.595 -5.266 1.00 0.86 H new ATOM 0 HD2 PRO A 68 -4.304 2.661 -2.640 1.00 0.53 H new ATOM 0 HD3 PRO A 68 -2.648 2.633 -3.211 1.00 0.53 H new ATOM 986 N LYS A 69 -6.499 5.094 -4.137 1.00 0.84 N ATOM 987 CA LYS A 69 -7.671 5.949 -3.975 1.00 1.10 C ATOM 988 C LYS A 69 -7.344 7.400 -4.318 1.00 1.38 C ATOM 989 O LYS A 69 -8.223 8.168 -4.709 1.00 2.19 O ATOM 990 CB LYS A 69 -8.200 5.856 -2.542 1.00 1.36 C ATOM 991 CG LYS A 69 -9.499 6.615 -2.319 1.00 1.66 C ATOM 992 CD LYS A 69 -10.017 6.427 -0.903 1.00 2.44 C ATOM 993 CE LYS A 69 -11.335 7.156 -0.689 1.00 2.83 C ATOM 994 NZ LYS A 69 -11.871 6.943 0.682 1.00 3.36 N ATOM 0 H LYS A 69 -6.151 4.685 -3.270 1.00 0.84 H new ATOM 0 HA LYS A 69 -8.441 5.600 -4.664 1.00 1.10 H new ATOM 0 HB2 LYS A 69 -8.354 4.807 -2.289 1.00 1.36 H new ATOM 0 HB3 LYS A 69 -7.443 6.241 -1.859 1.00 1.36 H new ATOM 0 HG2 LYS A 69 -9.339 7.676 -2.511 1.00 1.66 H new ATOM 0 HG3 LYS A 69 -10.249 6.271 -3.031 1.00 1.66 H new ATOM 0 HD2 LYS A 69 -10.151 5.364 -0.702 1.00 2.44 H new ATOM 0 HD3 LYS A 69 -9.277 6.795 -0.192 1.00 2.44 H new ATOM 0 HE2 LYS A 69 -11.192 8.223 -0.861 1.00 2.83 H new ATOM 0 HE3 LYS A 69 -12.064 6.810 -1.422 1.00 2.83 H new ATOM 0 HZ1 LYS A 69 -12.769 7.456 0.787 1.00 3.36 H new ATOM 0 HZ2 LYS A 69 -12.032 5.927 0.838 1.00 3.36 H new ATOM 0 HZ3 LYS A 69 -11.187 7.296 1.381 1.00 3.36 H new ATOM 1008 N GLN A 70 -6.075 7.769 -4.172 1.00 1.57 N ATOM 1009 CA GLN A 70 -5.634 9.130 -4.467 1.00 2.17 C ATOM 1010 C GLN A 70 -5.533 9.364 -5.971 1.00 2.55 C ATOM 1011 O GLN A 70 -5.728 8.445 -6.768 1.00 3.19 O ATOM 1012 CB GLN A 70 -4.283 9.408 -3.806 1.00 2.94 C ATOM 1013 CG GLN A 70 -4.361 9.552 -2.294 1.00 3.68 C ATOM 1014 CD GLN A 70 -5.212 10.730 -1.865 1.00 4.63 C ATOM 1015 OE1 GLN A 70 -6.416 10.596 -1.649 1.00 5.09 O ATOM 1016 NE2 GLN A 70 -4.588 11.896 -1.745 1.00 5.32 N ATOM 0 H GLN A 70 -5.334 7.146 -3.852 1.00 1.57 H new ATOM 0 HA GLN A 70 -6.378 9.816 -4.063 1.00 2.17 H new ATOM 0 HB2 GLN A 70 -3.595 8.598 -4.050 1.00 2.94 H new ATOM 0 HB3 GLN A 70 -3.863 10.321 -4.228 1.00 2.94 H new ATOM 0 HG2 GLN A 70 -4.771 8.637 -1.866 1.00 3.68 H new ATOM 0 HG3 GLN A 70 -3.355 9.669 -1.891 1.00 3.68 H new ATOM 0 HE21 GLN A 70 -3.588 11.961 -1.934 1.00 5.32 H new ATOM 0 HE22 GLN A 70 -5.109 12.727 -1.464 1.00 5.32 H new ATOM 1025 N LYS A 71 -5.229 10.601 -6.349 1.00 2.93 N ATOM 1026 CA LYS A 71 -5.097 10.967 -7.754 1.00 3.85 C ATOM 1027 C LYS A 71 -3.700 11.499 -8.050 1.00 4.58 C ATOM 1028 O LYS A 71 -2.923 11.776 -7.136 1.00 4.73 O ATOM 1029 CB LYS A 71 -6.142 12.021 -8.126 1.00 4.52 C ATOM 1030 CG LYS A 71 -6.122 13.240 -7.218 1.00 4.94 C ATOM 1031 CD LYS A 71 -7.099 14.303 -7.690 1.00 5.74 C ATOM 1032 CE LYS A 71 -7.099 15.508 -6.764 1.00 6.70 C ATOM 1033 NZ LYS A 71 -7.977 16.599 -7.270 1.00 7.04 N ATOM 0 H LYS A 71 -5.069 11.370 -5.698 1.00 2.93 H new ATOM 0 HA LYS A 71 -5.260 10.071 -8.353 1.00 3.85 H new ATOM 0 HB2 LYS A 71 -5.974 12.341 -9.154 1.00 4.52 H new ATOM 0 HB3 LYS A 71 -7.133 11.568 -8.091 1.00 4.52 H new ATOM 0 HG2 LYS A 71 -6.372 12.941 -6.200 1.00 4.94 H new ATOM 0 HG3 LYS A 71 -5.115 13.657 -7.189 1.00 4.94 H new ATOM 0 HD2 LYS A 71 -6.836 14.618 -8.700 1.00 5.74 H new ATOM 0 HD3 LYS A 71 -8.103 13.880 -7.739 1.00 5.74 H new ATOM 0 HE2 LYS A 71 -7.434 15.203 -5.772 1.00 6.70 H new ATOM 0 HE3 LYS A 71 -6.081 15.882 -6.656 1.00 6.70 H new ATOM 0 HZ1 LYS A 71 -7.949 17.402 -6.610 1.00 7.04 H new ATOM 0 HZ2 LYS A 71 -7.643 16.908 -8.205 1.00 7.04 H new ATOM 0 HZ3 LYS A 71 -8.954 16.250 -7.349 1.00 7.04 H new ATOM 1047 N ARG A 72 -3.385 11.642 -9.335 1.00 5.45 N ATOM 1048 CA ARG A 72 -2.082 12.144 -9.754 1.00 6.44 C ATOM 1049 C ARG A 72 -2.229 13.439 -10.553 1.00 7.13 C ATOM 1050 O ARG A 72 -3.206 13.615 -11.281 1.00 7.26 O ATOM 1051 CB ARG A 72 -1.354 11.092 -10.595 1.00 7.19 C ATOM 1052 CG ARG A 72 -0.942 9.857 -9.809 1.00 7.48 C ATOM 1053 CD ARG A 72 0.106 10.185 -8.757 1.00 8.35 C ATOM 1054 NE ARG A 72 1.297 10.799 -9.341 1.00 8.63 N ATOM 1055 CZ ARG A 72 2.384 11.111 -8.642 1.00 9.54 C ATOM 1056 NH1 ARG A 72 2.434 10.861 -7.340 1.00 10.19 N ATOM 1057 NH2 ARG A 72 3.424 11.672 -9.244 1.00 9.98 N ATOM 0 H ARG A 72 -4.016 11.417 -10.104 1.00 5.45 H new ATOM 0 HA ARG A 72 -1.496 12.354 -8.860 1.00 6.44 H new ATOM 0 HB2 ARG A 72 -2.000 10.788 -11.419 1.00 7.19 H new ATOM 0 HB3 ARG A 72 -0.466 11.544 -11.036 1.00 7.19 H new ATOM 0 HG2 ARG A 72 -1.818 9.423 -9.327 1.00 7.48 H new ATOM 0 HG3 ARG A 72 -0.549 9.105 -10.493 1.00 7.48 H new ATOM 0 HD2 ARG A 72 -0.323 10.860 -8.016 1.00 8.35 H new ATOM 0 HD3 ARG A 72 0.389 9.273 -8.231 1.00 8.35 H new ATOM 0 HE ARG A 72 1.294 10.999 -10.341 1.00 8.63 H new ATOM 0 HH11 ARG A 72 1.637 10.428 -6.873 1.00 10.19 H new ATOM 0 HH12 ARG A 72 3.269 11.101 -6.806 1.00 10.19 H new ATOM 0 HH21 ARG A 72 3.391 11.865 -10.245 1.00 9.98 H new ATOM 0 HH22 ARG A 72 4.257 11.911 -8.706 1.00 9.98 H new ATOM 1071 N PRO A 73 -1.259 14.365 -10.429 1.00 7.88 N ATOM 1072 CA PRO A 73 -1.296 15.641 -11.146 1.00 8.80 C ATOM 1073 C PRO A 73 -0.968 15.485 -12.629 1.00 9.54 C ATOM 1074 O PRO A 73 0.229 15.559 -12.981 1.00 9.91 O ATOM 1075 CB PRO A 73 -0.224 16.472 -10.441 1.00 9.55 C ATOM 1076 CG PRO A 73 0.749 15.469 -9.923 1.00 9.27 C ATOM 1077 CD PRO A 73 -0.055 14.242 -9.581 1.00 8.18 C ATOM 1078 OXT PRO A 73 -1.911 15.292 -13.425 1.00 9.93 O ATOM 0 HA PRO A 73 -2.287 16.094 -11.125 1.00 8.80 H new ATOM 0 HB2 PRO A 73 0.254 17.169 -11.130 1.00 9.55 H new ATOM 0 HB3 PRO A 73 -0.650 17.065 -9.632 1.00 9.55 H new ATOM 0 HG2 PRO A 73 1.508 15.241 -10.671 1.00 9.27 H new ATOM 0 HG3 PRO A 73 1.271 15.850 -9.045 1.00 9.27 H new ATOM 0 HD2 PRO A 73 0.497 13.328 -9.799 1.00 8.18 H new ATOM 0 HD3 PRO A 73 -0.312 14.214 -8.522 1.00 8.18 H new TER 1086 PRO A 73