USER MOD reduce.3.24.130724 H: found=0, std=0, add=251, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 248 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 6 ASN : amide:sc= 1.29 K(o=2.7,f=-16!) USER MOD Set 1.2: A 36 LYS NZ :NH3+ -115:sc= 0.262 (180deg=-0.944) USER MOD Set 1.3: A 37 ASN : amide:sc= 1.1 K(o=2.7,f=-15!) USER MOD Set 2.1: A 5 LYS NZ :NH3+ 177:sc= 0.503! (180deg=-0.0461) USER MOD Set 2.2: A 21 SER OG : rot 145:sc= 2.22 USER MOD Set 3.1: A 1 ALA N :NH3+ 180:sc= 0.538 (180deg=0) USER MOD Set 3.2: A 18 TYR OH : rot 130:sc= 0.983 USER MOD Set 4.1: A 11 ASN : amide:sc= 2.01 K(o=3.1,f=-3!) USER MOD Set 4.2: A 31 SER OG : rot -67:sc= 1.09 USER MOD Single : A 13 SER OG : rot 180:sc= 0.0471 USER MOD Single : A 22 SER OG : rot -50:sc= 0.0711 USER MOD Single : A 23 TYR OH : rot 140:sc= -0.0883 USER MOD Single : A 26 GLN : amide:sc= 2.04 K(o=2,f=-10!) USER MOD Single : A 30 GLN : amide:sc= 0.423 K(o=0.42,f=-0.62) USER MOD Single : A 32 TYR OH : rot 180:sc= -0.018 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 11.233 -2.820 -7.003 1.00 1.01 N ATOM 2 CA ALA A 1 11.531 -2.217 -5.668 1.00 1.00 C ATOM 3 C ALA A 1 11.097 -3.166 -4.542 1.00 0.87 C ATOM 4 O ALA A 1 10.502 -4.198 -4.787 1.00 0.88 O ATOM 5 CB ALA A 1 10.712 -0.921 -5.629 1.00 1.09 C ATOM 0 H1 ALA A 1 11.532 -2.166 -7.754 1.00 1.01 H new ATOM 0 H2 ALA A 1 11.748 -3.718 -7.101 1.00 1.01 H new ATOM 0 H3 ALA A 1 10.211 -2.996 -7.084 1.00 1.01 H new ATOM 0 HA ALA A 1 12.596 -2.032 -5.527 1.00 1.00 H new ATOM 0 HB1 ALA A 1 10.876 -0.416 -4.677 1.00 1.09 H new ATOM 0 HB2 ALA A 1 11.024 -0.269 -6.445 1.00 1.09 H new ATOM 0 HB3 ALA A 1 9.653 -1.156 -5.738 1.00 1.09 H new ATOM 10 N GLY A 2 11.388 -2.819 -3.313 1.00 0.90 N ATOM 11 CA GLY A 2 10.992 -3.694 -2.166 1.00 0.90 C ATOM 12 C GLY A 2 9.466 -3.727 -2.051 1.00 0.80 C ATOM 13 O GLY A 2 8.829 -2.710 -1.861 1.00 1.26 O ATOM 0 H GLY A 2 11.884 -1.966 -3.054 1.00 0.90 H new ATOM 0 HA2 GLY A 2 11.378 -4.703 -2.314 1.00 0.90 H new ATOM 0 HA3 GLY A 2 11.429 -3.318 -1.241 1.00 0.90 H new ATOM 17 N CYS A 3 8.877 -4.887 -2.169 1.00 0.51 N ATOM 18 CA CYS A 3 7.389 -4.990 -2.071 1.00 0.41 C ATOM 19 C CYS A 3 6.983 -5.638 -0.741 1.00 0.35 C ATOM 20 O CYS A 3 7.636 -6.539 -0.252 1.00 0.43 O ATOM 21 CB CYS A 3 6.963 -5.868 -3.255 1.00 0.44 C ATOM 22 SG CYS A 3 7.387 -7.600 -2.919 1.00 0.49 S ATOM 0 H CYS A 3 9.362 -5.770 -2.329 1.00 0.51 H new ATOM 0 HA CYS A 3 6.910 -4.011 -2.102 1.00 0.41 H new ATOM 0 HB2 CYS A 3 5.890 -5.773 -3.423 1.00 0.44 H new ATOM 0 HB3 CYS A 3 7.459 -5.532 -4.166 1.00 0.44 H new ATOM 27 N ILE A 4 5.900 -5.189 -0.160 1.00 0.30 N ATOM 28 CA ILE A 4 5.434 -5.785 1.133 1.00 0.30 C ATOM 29 C ILE A 4 4.182 -6.638 0.884 1.00 0.32 C ATOM 30 O ILE A 4 3.249 -6.210 0.223 1.00 0.40 O ATOM 31 CB ILE A 4 5.112 -4.595 2.047 1.00 0.32 C ATOM 32 CG1 ILE A 4 6.373 -3.744 2.260 1.00 0.43 C ATOM 33 CG2 ILE A 4 4.618 -5.108 3.404 1.00 0.37 C ATOM 34 CD1 ILE A 4 7.477 -4.596 2.897 1.00 0.56 C ATOM 0 H ILE A 4 5.317 -4.435 -0.523 1.00 0.30 H new ATOM 0 HA ILE A 4 6.184 -6.434 1.584 1.00 0.30 H new ATOM 0 HB ILE A 4 4.338 -3.987 1.579 1.00 0.32 H new ATOM 0 HG12 ILE A 4 6.716 -3.342 1.307 1.00 0.43 H new ATOM 0 HG13 ILE A 4 6.144 -2.893 2.901 1.00 0.43 H new ATOM 0 HG21 ILE A 4 4.390 -4.262 4.052 1.00 0.37 H new ATOM 0 HG22 ILE A 4 3.719 -5.708 3.261 1.00 0.37 H new ATOM 0 HG23 ILE A 4 5.393 -5.720 3.866 1.00 0.37 H new ATOM 0 HD11 ILE A 4 8.368 -3.986 3.045 1.00 0.56 H new ATOM 0 HD12 ILE A 4 7.134 -4.976 3.859 1.00 0.56 H new ATOM 0 HD13 ILE A 4 7.715 -5.433 2.240 1.00 0.56 H new ATOM 46 N LYS A 5 4.165 -7.847 1.386 1.00 0.35 N ATOM 47 CA LYS A 5 2.991 -8.740 1.164 1.00 0.40 C ATOM 48 C LYS A 5 1.765 -8.278 1.971 1.00 0.36 C ATOM 49 O LYS A 5 0.646 -8.352 1.491 1.00 0.43 O ATOM 50 CB LYS A 5 3.448 -10.128 1.626 1.00 0.49 C ATOM 51 CG LYS A 5 2.454 -11.185 1.137 1.00 0.59 C ATOM 52 CD LYS A 5 2.885 -11.696 -0.243 1.00 0.65 C ATOM 53 CE LYS A 5 1.720 -12.445 -0.901 1.00 0.63 C ATOM 54 NZ LYS A 5 1.115 -11.460 -1.845 1.00 0.63 N ATOM 0 H LYS A 5 4.917 -8.254 1.942 1.00 0.35 H new ATOM 0 HA LYS A 5 2.682 -8.733 0.119 1.00 0.40 H new ATOM 0 HB2 LYS A 5 4.443 -10.343 1.237 1.00 0.49 H new ATOM 0 HB3 LYS A 5 3.518 -10.156 2.713 1.00 0.49 H new ATOM 0 HG2 LYS A 5 2.410 -12.013 1.845 1.00 0.59 H new ATOM 0 HG3 LYS A 5 1.452 -10.759 1.082 1.00 0.59 H new ATOM 0 HD2 LYS A 5 3.194 -10.861 -0.871 1.00 0.65 H new ATOM 0 HD3 LYS A 5 3.746 -12.357 -0.145 1.00 0.65 H new ATOM 0 HE2 LYS A 5 2.068 -13.334 -1.427 1.00 0.63 H new ATOM 0 HE3 LYS A 5 0.995 -12.778 -0.159 1.00 0.63 H new ATOM 0 HZ1 LYS A 5 0.342 -11.914 -2.372 1.00 0.63 H new ATOM 0 HZ2 LYS A 5 0.741 -10.651 -1.310 1.00 0.63 H new ATOM 0 HZ3 LYS A 5 1.840 -11.128 -2.512 1.00 0.63 H new ATOM 68 N ASN A 6 1.958 -7.824 3.189 1.00 0.31 N ATOM 69 CA ASN A 6 0.793 -7.381 4.019 1.00 0.31 C ATOM 70 C ASN A 6 1.196 -6.280 5.015 1.00 0.33 C ATOM 71 O ASN A 6 2.189 -6.394 5.704 1.00 0.40 O ATOM 72 CB ASN A 6 0.361 -8.642 4.774 1.00 0.37 C ATOM 73 CG ASN A 6 -1.111 -8.934 4.496 1.00 0.34 C ATOM 74 OD1 ASN A 6 -1.959 -8.713 5.338 1.00 0.45 O ATOM 75 ND2 ASN A 6 -1.459 -9.413 3.342 1.00 0.58 N ATOM 0 H ASN A 6 2.869 -7.742 3.641 1.00 0.31 H new ATOM 0 HA ASN A 6 -0.002 -6.958 3.405 1.00 0.31 H new ATOM 0 HB2 ASN A 6 0.974 -9.489 4.465 1.00 0.37 H new ATOM 0 HB3 ASN A 6 0.519 -8.508 5.844 1.00 0.37 H new ATOM 0 HD21 ASN A 6 -2.441 -9.603 3.144 1.00 0.58 H new ATOM 0 HD22 ASN A 6 -0.750 -9.600 2.633 1.00 0.58 H new ATOM 82 N GLY A 7 0.419 -5.223 5.103 1.00 0.35 N ATOM 83 CA GLY A 7 0.736 -4.115 6.070 1.00 0.42 C ATOM 84 C GLY A 7 1.911 -3.270 5.568 1.00 0.41 C ATOM 85 O GLY A 7 2.699 -2.774 6.348 1.00 0.59 O ATOM 0 H GLY A 7 -0.423 -5.078 4.546 1.00 0.35 H new ATOM 0 HA2 GLY A 7 -0.141 -3.482 6.204 1.00 0.42 H new ATOM 0 HA3 GLY A 7 0.977 -4.537 7.046 1.00 0.42 H new ATOM 89 N GLY A 8 2.030 -3.093 4.277 1.00 0.29 N ATOM 90 CA GLY A 8 3.161 -2.274 3.731 1.00 0.33 C ATOM 91 C GLY A 8 2.770 -0.792 3.685 1.00 0.32 C ATOM 92 O GLY A 8 1.943 -0.328 4.454 1.00 0.45 O ATOM 0 H GLY A 8 1.396 -3.478 3.577 1.00 0.29 H new ATOM 0 HA2 GLY A 8 4.047 -2.404 4.353 1.00 0.33 H new ATOM 0 HA3 GLY A 8 3.420 -2.620 2.730 1.00 0.33 H new ATOM 96 N ARG A 9 3.362 -0.046 2.790 1.00 0.32 N ATOM 97 CA ARG A 9 3.038 1.408 2.680 1.00 0.30 C ATOM 98 C ARG A 9 2.991 1.825 1.203 1.00 0.31 C ATOM 99 O ARG A 9 3.950 1.665 0.472 1.00 0.37 O ATOM 100 CB ARG A 9 4.180 2.113 3.413 1.00 0.36 C ATOM 101 CG ARG A 9 3.694 3.453 3.981 1.00 0.40 C ATOM 102 CD ARG A 9 2.700 3.214 5.126 1.00 0.42 C ATOM 103 NE ARG A 9 3.451 2.414 6.144 1.00 0.50 N ATOM 104 CZ ARG A 9 2.807 1.744 7.048 1.00 0.55 C ATOM 105 NH1 ARG A 9 2.096 0.717 6.708 1.00 0.71 N ATOM 106 NH2 ARG A 9 2.885 2.099 8.290 1.00 0.63 N ATOM 0 H ARG A 9 4.060 -0.383 2.127 1.00 0.32 H new ATOM 0 HA ARG A 9 2.066 1.659 3.106 1.00 0.30 H new ATOM 0 HB2 ARG A 9 4.550 1.480 4.219 1.00 0.36 H new ATOM 0 HB3 ARG A 9 5.013 2.279 2.730 1.00 0.36 H new ATOM 0 HG2 ARG A 9 4.543 4.033 4.342 1.00 0.40 H new ATOM 0 HG3 ARG A 9 3.219 4.039 3.194 1.00 0.40 H new ATOM 0 HD2 ARG A 9 2.351 4.157 5.547 1.00 0.42 H new ATOM 0 HD3 ARG A 9 1.819 2.676 4.776 1.00 0.42 H new ATOM 0 HE ARG A 9 4.471 2.396 6.126 1.00 0.50 H new ATOM 0 HH11 ARG A 9 2.043 0.435 5.729 1.00 0.71 H new ATOM 0 HH12 ARG A 9 1.589 0.190 7.419 1.00 0.71 H new ATOM 0 HH21 ARG A 9 3.452 2.904 8.556 1.00 0.63 H new ATOM 0 HH22 ARG A 9 2.379 1.574 9.003 1.00 0.63 H new ATOM 120 N CYS A 10 1.879 2.342 0.754 1.00 0.28 N ATOM 121 CA CYS A 10 1.764 2.753 -0.685 1.00 0.29 C ATOM 122 C CYS A 10 0.764 3.905 -0.858 1.00 0.27 C ATOM 123 O CYS A 10 0.320 4.506 0.100 1.00 0.32 O ATOM 124 CB CYS A 10 1.255 1.502 -1.400 1.00 0.29 C ATOM 125 SG CYS A 10 -0.227 0.892 -0.551 1.00 0.26 S ATOM 0 H CYS A 10 1.043 2.499 1.317 1.00 0.28 H new ATOM 0 HA CYS A 10 2.714 3.111 -1.081 1.00 0.29 H new ATOM 0 HB2 CYS A 10 1.024 1.732 -2.440 1.00 0.29 H new ATOM 0 HB3 CYS A 10 2.027 0.733 -1.407 1.00 0.29 H new ATOM 130 N ASN A 11 0.400 4.202 -2.081 1.00 0.29 N ATOM 131 CA ASN A 11 -0.584 5.300 -2.348 1.00 0.30 C ATOM 132 C ASN A 11 -1.531 4.880 -3.485 1.00 0.33 C ATOM 133 O ASN A 11 -1.199 4.030 -4.291 1.00 0.36 O ATOM 134 CB ASN A 11 0.261 6.508 -2.774 1.00 0.34 C ATOM 135 CG ASN A 11 0.312 7.534 -1.641 1.00 0.31 C ATOM 136 OD1 ASN A 11 -0.257 8.603 -1.743 1.00 0.52 O ATOM 137 ND2 ASN A 11 0.973 7.258 -0.559 1.00 0.29 N ATOM 0 H ASN A 11 0.745 3.727 -2.915 1.00 0.29 H new ATOM 0 HA ASN A 11 -1.199 5.527 -1.477 1.00 0.30 H new ATOM 0 HB2 ASN A 11 1.270 6.185 -3.029 1.00 0.34 H new ATOM 0 HB3 ASN A 11 -0.164 6.963 -3.669 1.00 0.34 H new ATOM 0 HD21 ASN A 11 1.013 7.937 0.201 1.00 0.29 H new ATOM 0 HD22 ASN A 11 1.452 6.362 -0.469 1.00 0.29 H new ATOM 144 N ALA A 12 -2.697 5.475 -3.562 1.00 0.37 N ATOM 145 CA ALA A 12 -3.659 5.117 -4.656 1.00 0.44 C ATOM 146 C ALA A 12 -2.983 5.295 -6.019 1.00 0.44 C ATOM 147 O ALA A 12 -2.966 4.400 -6.842 1.00 0.54 O ATOM 148 CB ALA A 12 -4.830 6.093 -4.495 1.00 0.50 C ATOM 0 H ALA A 12 -3.025 6.193 -2.916 1.00 0.37 H new ATOM 0 HA ALA A 12 -3.992 4.081 -4.598 1.00 0.44 H new ATOM 0 HB1 ALA A 12 -5.578 5.894 -5.262 1.00 0.50 H new ATOM 0 HB2 ALA A 12 -5.278 5.965 -3.510 1.00 0.50 H new ATOM 0 HB3 ALA A 12 -4.468 7.116 -4.599 1.00 0.50 H new ATOM 154 N SER A 13 -2.404 6.442 -6.248 1.00 0.44 N ATOM 155 CA SER A 13 -1.698 6.695 -7.539 1.00 0.49 C ATOM 156 C SER A 13 -0.183 6.560 -7.335 1.00 0.50 C ATOM 157 O SER A 13 0.593 7.373 -7.798 1.00 0.62 O ATOM 158 CB SER A 13 -2.074 8.130 -7.923 1.00 0.56 C ATOM 159 OG SER A 13 -1.895 8.986 -6.796 1.00 1.07 O ATOM 0 H SER A 13 -2.389 7.222 -5.591 1.00 0.44 H new ATOM 0 HA SER A 13 -1.979 5.987 -8.318 1.00 0.49 H new ATOM 0 HB2 SER A 13 -1.455 8.470 -8.753 1.00 0.56 H new ATOM 0 HB3 SER A 13 -3.110 8.168 -8.261 1.00 0.56 H new ATOM 0 HG SER A 13 -2.134 9.904 -7.041 1.00 1.07 H new ATOM 165 N ALA A 14 0.240 5.536 -6.635 1.00 0.54 N ATOM 166 CA ALA A 14 1.701 5.341 -6.387 1.00 0.61 C ATOM 167 C ALA A 14 2.367 4.632 -7.571 1.00 0.57 C ATOM 168 O ALA A 14 1.921 3.590 -8.014 1.00 0.76 O ATOM 169 CB ALA A 14 1.771 4.463 -5.136 1.00 0.72 C ATOM 0 H ALA A 14 -0.366 4.826 -6.224 1.00 0.54 H new ATOM 0 HA ALA A 14 2.222 6.290 -6.260 1.00 0.61 H new ATOM 0 HB1 ALA A 14 2.814 4.271 -4.884 1.00 0.72 H new ATOM 0 HB2 ALA A 14 1.285 4.974 -4.305 1.00 0.72 H new ATOM 0 HB3 ALA A 14 1.264 3.517 -5.327 1.00 0.72 H new ATOM 175 N GLY A 15 3.439 5.186 -8.080 1.00 0.52 N ATOM 176 CA GLY A 15 4.148 4.541 -9.227 1.00 0.59 C ATOM 177 C GLY A 15 5.181 3.546 -8.685 1.00 0.55 C ATOM 178 O GLY A 15 4.903 2.367 -8.580 1.00 0.54 O ATOM 0 H GLY A 15 3.854 6.058 -7.750 1.00 0.52 H new ATOM 0 HA2 GLY A 15 3.433 4.027 -9.870 1.00 0.59 H new ATOM 0 HA3 GLY A 15 4.640 5.298 -9.838 1.00 0.59 H new ATOM 182 N PRO A 16 6.347 4.055 -8.352 1.00 0.59 N ATOM 183 CA PRO A 16 7.424 3.192 -7.811 1.00 0.62 C ATOM 184 C PRO A 16 7.083 2.558 -6.433 1.00 0.53 C ATOM 185 O PRO A 16 7.493 1.440 -6.184 1.00 0.59 O ATOM 186 CB PRO A 16 8.641 4.118 -7.747 1.00 0.75 C ATOM 187 CG PRO A 16 8.079 5.499 -7.695 1.00 0.74 C ATOM 188 CD PRO A 16 6.773 5.456 -8.452 1.00 0.68 C ATOM 0 HA PRO A 16 7.593 2.319 -8.442 1.00 0.62 H new ATOM 0 HB2 PRO A 16 9.250 3.907 -6.868 1.00 0.75 H new ATOM 0 HB3 PRO A 16 9.282 3.986 -8.618 1.00 0.75 H new ATOM 0 HG2 PRO A 16 7.920 5.815 -6.664 1.00 0.74 H new ATOM 0 HG3 PRO A 16 8.766 6.215 -8.146 1.00 0.74 H new ATOM 0 HD2 PRO A 16 6.036 6.129 -8.014 1.00 0.68 H new ATOM 0 HD3 PRO A 16 6.904 5.760 -9.491 1.00 0.68 H new ATOM 196 N PRO A 17 6.349 3.252 -5.571 1.00 0.46 N ATOM 197 CA PRO A 17 6.004 2.666 -4.250 1.00 0.45 C ATOM 198 C PRO A 17 4.765 1.759 -4.369 1.00 0.36 C ATOM 199 O PRO A 17 3.722 2.023 -3.794 1.00 0.41 O ATOM 200 CB PRO A 17 5.716 3.890 -3.385 1.00 0.50 C ATOM 201 CG PRO A 17 5.304 4.972 -4.336 1.00 0.47 C ATOM 202 CD PRO A 17 5.785 4.599 -5.719 1.00 0.48 C ATOM 0 HA PRO A 17 6.792 2.037 -3.836 1.00 0.45 H new ATOM 0 HB2 PRO A 17 4.926 3.682 -2.663 1.00 0.50 H new ATOM 0 HB3 PRO A 17 6.598 4.184 -2.816 1.00 0.50 H new ATOM 0 HG2 PRO A 17 4.220 5.090 -4.330 1.00 0.47 H new ATOM 0 HG3 PRO A 17 5.730 5.928 -4.031 1.00 0.47 H new ATOM 0 HD2 PRO A 17 4.966 4.608 -6.438 1.00 0.48 H new ATOM 0 HD3 PRO A 17 6.534 5.304 -6.080 1.00 0.48 H new ATOM 210 N TYR A 18 4.878 0.687 -5.113 1.00 0.36 N ATOM 211 CA TYR A 18 3.715 -0.245 -5.279 1.00 0.32 C ATOM 212 C TYR A 18 3.745 -1.358 -4.218 1.00 0.26 C ATOM 213 O TYR A 18 4.745 -1.587 -3.562 1.00 0.33 O ATOM 214 CB TYR A 18 3.838 -0.826 -6.698 1.00 0.38 C ATOM 215 CG TYR A 18 5.185 -1.485 -6.895 1.00 0.41 C ATOM 216 CD1 TYR A 18 5.438 -2.744 -6.342 1.00 0.47 C ATOM 217 CD2 TYR A 18 6.175 -0.834 -7.640 1.00 0.61 C ATOM 218 CE1 TYR A 18 6.684 -3.354 -6.533 1.00 0.59 C ATOM 219 CE2 TYR A 18 7.421 -1.444 -7.834 1.00 0.73 C ATOM 220 CZ TYR A 18 7.675 -2.705 -7.280 1.00 0.69 C ATOM 221 OH TYR A 18 8.898 -3.313 -7.476 1.00 0.87 O ATOM 0 H TYR A 18 5.724 0.415 -5.613 1.00 0.36 H new ATOM 0 HA TYR A 18 2.766 0.275 -5.147 1.00 0.32 H new ATOM 0 HB2 TYR A 18 3.044 -1.553 -6.868 1.00 0.38 H new ATOM 0 HB3 TYR A 18 3.706 -0.032 -7.433 1.00 0.38 H new ATOM 0 HD1 TYR A 18 4.673 -3.246 -5.768 1.00 0.47 H new ATOM 0 HD2 TYR A 18 5.978 0.139 -8.065 1.00 0.61 H new ATOM 0 HE1 TYR A 18 6.881 -4.325 -6.104 1.00 0.59 H new ATOM 0 HE2 TYR A 18 8.185 -0.943 -8.410 1.00 0.73 H new ATOM 0 HH TYR A 18 9.124 -3.294 -8.429 1.00 0.87 H new ATOM 231 N CYS A 19 2.646 -2.044 -4.034 1.00 0.23 N ATOM 232 CA CYS A 19 2.598 -3.133 -3.006 1.00 0.20 C ATOM 233 C CYS A 19 2.999 -4.483 -3.607 1.00 0.19 C ATOM 234 O CYS A 19 3.152 -4.622 -4.802 1.00 0.25 O ATOM 235 CB CYS A 19 1.150 -3.157 -2.536 1.00 0.22 C ATOM 236 SG CYS A 19 0.784 -1.588 -1.717 1.00 0.26 S ATOM 0 H CYS A 19 1.778 -1.899 -4.550 1.00 0.23 H new ATOM 0 HA CYS A 19 3.296 -2.952 -2.188 1.00 0.20 H new ATOM 0 HB2 CYS A 19 0.480 -3.307 -3.382 1.00 0.22 H new ATOM 0 HB3 CYS A 19 0.989 -3.989 -1.850 1.00 0.22 H new ATOM 241 N CYS A 20 3.176 -5.480 -2.779 1.00 0.19 N ATOM 242 CA CYS A 20 3.578 -6.830 -3.295 1.00 0.22 C ATOM 243 C CYS A 20 2.358 -7.708 -3.575 1.00 0.23 C ATOM 244 O CYS A 20 2.322 -8.437 -4.543 1.00 0.31 O ATOM 245 CB CYS A 20 4.430 -7.447 -2.190 1.00 0.28 C ATOM 246 SG CYS A 20 5.622 -8.592 -2.928 1.00 0.40 S ATOM 0 H CYS A 20 3.060 -5.421 -1.767 1.00 0.19 H new ATOM 0 HA CYS A 20 4.119 -6.746 -4.238 1.00 0.22 H new ATOM 0 HB2 CYS A 20 4.952 -6.666 -1.637 1.00 0.28 H new ATOM 0 HB3 CYS A 20 3.796 -7.973 -1.476 1.00 0.28 H new ATOM 251 N SER A 21 1.361 -7.645 -2.738 1.00 0.25 N ATOM 252 CA SER A 21 0.143 -8.480 -2.962 1.00 0.32 C ATOM 253 C SER A 21 -0.822 -7.774 -3.924 1.00 0.34 C ATOM 254 O SER A 21 -1.867 -8.297 -4.240 1.00 0.57 O ATOM 255 CB SER A 21 -0.490 -8.632 -1.580 1.00 0.39 C ATOM 256 OG SER A 21 0.306 -9.515 -0.786 1.00 0.81 O ATOM 0 H SER A 21 1.334 -7.053 -1.908 1.00 0.25 H new ATOM 0 HA SER A 21 0.382 -9.444 -3.411 1.00 0.32 H new ATOM 0 HB2 SER A 21 -0.567 -7.659 -1.095 1.00 0.39 H new ATOM 0 HB3 SER A 21 -1.503 -9.023 -1.673 1.00 0.39 H new ATOM 0 HG SER A 21 0.292 -9.218 0.148 1.00 0.81 H new ATOM 262 N SER A 22 -0.462 -6.593 -4.390 1.00 0.29 N ATOM 263 CA SER A 22 -1.321 -5.806 -5.339 1.00 0.32 C ATOM 264 C SER A 22 -2.393 -4.993 -4.601 1.00 0.28 C ATOM 265 O SER A 22 -3.121 -4.245 -5.225 1.00 0.34 O ATOM 266 CB SER A 22 -1.978 -6.808 -6.295 1.00 0.41 C ATOM 267 OG SER A 22 -2.424 -6.118 -7.459 1.00 0.65 O ATOM 0 H SER A 22 0.414 -6.133 -4.144 1.00 0.29 H new ATOM 0 HA SER A 22 -0.705 -5.088 -5.881 1.00 0.32 H new ATOM 0 HB2 SER A 22 -1.267 -7.588 -6.569 1.00 0.41 H new ATOM 0 HB3 SER A 22 -2.818 -7.300 -5.805 1.00 0.41 H new ATOM 0 HG SER A 22 -2.944 -5.331 -7.194 1.00 0.65 H new ATOM 273 N TYR A 23 -2.507 -5.097 -3.290 1.00 0.22 N ATOM 274 CA TYR A 23 -3.551 -4.269 -2.598 1.00 0.22 C ATOM 275 C TYR A 23 -2.913 -3.047 -1.942 1.00 0.19 C ATOM 276 O TYR A 23 -1.764 -3.069 -1.541 1.00 0.21 O ATOM 277 CB TYR A 23 -4.181 -5.149 -1.530 1.00 0.22 C ATOM 278 CG TYR A 23 -5.421 -4.474 -0.994 1.00 0.24 C ATOM 279 CD1 TYR A 23 -6.648 -4.625 -1.647 1.00 0.32 C ATOM 280 CD2 TYR A 23 -5.336 -3.690 0.162 1.00 0.28 C ATOM 281 CE1 TYR A 23 -7.790 -3.992 -1.143 1.00 0.36 C ATOM 282 CE2 TYR A 23 -6.477 -3.058 0.666 1.00 0.31 C ATOM 283 CZ TYR A 23 -7.706 -3.209 0.014 1.00 0.33 C ATOM 284 OH TYR A 23 -8.830 -2.581 0.515 1.00 0.38 O ATOM 0 H TYR A 23 -1.943 -5.698 -2.690 1.00 0.22 H new ATOM 0 HA TYR A 23 -4.295 -3.918 -3.313 1.00 0.22 H new ATOM 0 HB2 TYR A 23 -4.435 -6.123 -1.949 1.00 0.22 H new ATOM 0 HB3 TYR A 23 -3.471 -5.325 -0.722 1.00 0.22 H new ATOM 0 HD1 TYR A 23 -6.715 -5.230 -2.539 1.00 0.32 H new ATOM 0 HD2 TYR A 23 -4.388 -3.573 0.666 1.00 0.28 H new ATOM 0 HE1 TYR A 23 -8.738 -4.108 -1.648 1.00 0.36 H new ATOM 0 HE2 TYR A 23 -6.410 -2.453 1.558 1.00 0.31 H new ATOM 0 HH TYR A 23 -8.829 -2.640 1.493 1.00 0.38 H new ATOM 294 N CYS A 24 -3.662 -1.989 -1.820 1.00 0.19 N ATOM 295 CA CYS A 24 -3.125 -0.748 -1.183 1.00 0.18 C ATOM 296 C CYS A 24 -4.252 0.053 -0.513 1.00 0.18 C ATOM 297 O CYS A 24 -5.173 0.502 -1.165 1.00 0.29 O ATOM 298 CB CYS A 24 -2.514 0.057 -2.333 1.00 0.22 C ATOM 299 SG CYS A 24 -1.757 1.566 -1.681 1.00 0.26 S ATOM 0 H CYS A 24 -4.630 -1.927 -2.135 1.00 0.19 H new ATOM 0 HA CYS A 24 -2.397 -0.976 -0.405 1.00 0.18 H new ATOM 0 HB2 CYS A 24 -1.766 -0.542 -2.853 1.00 0.22 H new ATOM 0 HB3 CYS A 24 -3.283 0.310 -3.063 1.00 0.22 H new ATOM 304 N PHE A 25 -4.179 0.240 0.778 1.00 0.20 N ATOM 305 CA PHE A 25 -5.233 1.016 1.500 1.00 0.21 C ATOM 306 C PHE A 25 -4.710 2.412 1.861 1.00 0.19 C ATOM 307 O PHE A 25 -4.067 2.592 2.879 1.00 0.23 O ATOM 308 CB PHE A 25 -5.493 0.209 2.769 1.00 0.26 C ATOM 309 CG PHE A 25 -6.931 0.388 3.198 1.00 0.33 C ATOM 310 CD1 PHE A 25 -7.941 -0.391 2.620 1.00 0.50 C ATOM 311 CD2 PHE A 25 -7.252 1.339 4.173 1.00 0.54 C ATOM 312 CE1 PHE A 25 -9.272 -0.218 3.020 1.00 0.56 C ATOM 313 CE2 PHE A 25 -8.582 1.512 4.572 1.00 0.62 C ATOM 314 CZ PHE A 25 -9.593 0.734 3.996 1.00 0.51 C ATOM 0 H PHE A 25 -3.428 -0.115 1.370 1.00 0.20 H new ATOM 0 HA PHE A 25 -6.132 1.157 0.900 1.00 0.21 H new ATOM 0 HB2 PHE A 25 -5.285 -0.846 2.590 1.00 0.26 H new ATOM 0 HB3 PHE A 25 -4.822 0.536 3.564 1.00 0.26 H new ATOM 0 HD1 PHE A 25 -7.694 -1.124 1.867 1.00 0.50 H new ATOM 0 HD2 PHE A 25 -6.473 1.940 4.618 1.00 0.54 H new ATOM 0 HE1 PHE A 25 -10.051 -0.819 2.576 1.00 0.56 H new ATOM 0 HE2 PHE A 25 -8.829 2.246 5.325 1.00 0.62 H new ATOM 0 HZ PHE A 25 -10.620 0.868 4.304 1.00 0.51 H new ATOM 324 N GLN A 26 -4.974 3.393 1.042 1.00 0.23 N ATOM 325 CA GLN A 26 -4.488 4.777 1.339 1.00 0.22 C ATOM 326 C GLN A 26 -5.672 5.747 1.460 1.00 0.23 C ATOM 327 O GLN A 26 -6.664 5.617 0.769 1.00 0.29 O ATOM 328 CB GLN A 26 -3.595 5.133 0.146 1.00 0.25 C ATOM 329 CG GLN A 26 -2.996 6.536 0.341 1.00 0.26 C ATOM 330 CD GLN A 26 -3.442 7.467 -0.787 1.00 0.30 C ATOM 331 OE1 GLN A 26 -3.142 7.235 -1.937 1.00 0.41 O ATOM 332 NE2 GLN A 26 -4.144 8.524 -0.508 1.00 0.41 N ATOM 0 H GLN A 26 -5.506 3.299 0.177 1.00 0.23 H new ATOM 0 HA GLN A 26 -3.948 4.841 2.284 1.00 0.22 H new ATOM 0 HB2 GLN A 26 -2.796 4.398 0.046 1.00 0.25 H new ATOM 0 HB3 GLN A 26 -4.175 5.101 -0.776 1.00 0.25 H new ATOM 0 HG2 GLN A 26 -3.310 6.942 1.302 1.00 0.26 H new ATOM 0 HG3 GLN A 26 -1.908 6.474 0.362 1.00 0.26 H new ATOM 0 HE21 GLN A 26 -4.400 8.726 0.458 1.00 0.41 H new ATOM 0 HE22 GLN A 26 -4.439 9.152 -1.255 1.00 0.41 H new ATOM 341 N ILE A 27 -5.572 6.717 2.336 1.00 0.23 N ATOM 342 CA ILE A 27 -6.699 7.696 2.503 1.00 0.27 C ATOM 343 C ILE A 27 -6.263 9.102 2.066 1.00 0.28 C ATOM 344 O ILE A 27 -5.097 9.358 1.814 1.00 0.30 O ATOM 345 CB ILE A 27 -7.109 7.703 3.996 1.00 0.33 C ATOM 346 CG1 ILE A 27 -6.131 6.894 4.879 1.00 0.56 C ATOM 347 CG2 ILE A 27 -8.522 7.124 4.137 1.00 0.67 C ATOM 348 CD1 ILE A 27 -6.348 5.384 4.692 1.00 0.87 C ATOM 0 H ILE A 27 -4.766 6.875 2.940 1.00 0.23 H new ATOM 0 HA ILE A 27 -7.543 7.402 1.879 1.00 0.27 H new ATOM 0 HB ILE A 27 -7.082 8.737 4.340 1.00 0.33 H new ATOM 0 HG12 ILE A 27 -5.104 7.153 4.623 1.00 0.56 H new ATOM 0 HG13 ILE A 27 -6.275 7.160 5.926 1.00 0.56 H new ATOM 0 HG21 ILE A 27 -8.814 7.128 5.187 1.00 0.67 H new ATOM 0 HG22 ILE A 27 -9.223 7.731 3.564 1.00 0.67 H new ATOM 0 HG23 ILE A 27 -8.535 6.101 3.760 1.00 0.67 H new ATOM 0 HD11 ILE A 27 -5.649 4.835 5.323 1.00 0.87 H new ATOM 0 HD12 ILE A 27 -7.369 5.126 4.972 1.00 0.87 H new ATOM 0 HD13 ILE A 27 -6.180 5.119 3.648 1.00 0.87 H new ATOM 360 N ALA A 28 -7.199 10.014 1.968 1.00 0.35 N ATOM 361 CA ALA A 28 -6.859 11.407 1.543 1.00 0.42 C ATOM 362 C ALA A 28 -6.522 12.280 2.762 1.00 0.42 C ATOM 363 O ALA A 28 -6.956 12.014 3.867 1.00 0.52 O ATOM 364 CB ALA A 28 -8.121 11.919 0.845 1.00 0.55 C ATOM 0 H ALA A 28 -8.187 9.853 2.165 1.00 0.35 H new ATOM 0 HA ALA A 28 -5.986 11.437 0.891 1.00 0.42 H new ATOM 0 HB1 ALA A 28 -7.957 12.940 0.500 1.00 0.55 H new ATOM 0 HB2 ALA A 28 -8.350 11.280 -0.008 1.00 0.55 H new ATOM 0 HB3 ALA A 28 -8.956 11.902 1.545 1.00 0.55 H new ATOM 370 N GLY A 29 -5.743 13.312 2.562 1.00 0.45 N ATOM 371 CA GLY A 29 -5.361 14.213 3.697 1.00 0.50 C ATOM 372 C GLY A 29 -3.837 14.258 3.810 1.00 0.40 C ATOM 373 O GLY A 29 -3.247 15.305 3.989 1.00 0.46 O ATOM 0 H GLY A 29 -5.352 13.573 1.657 1.00 0.45 H new ATOM 0 HA2 GLY A 29 -5.755 15.215 3.530 1.00 0.50 H new ATOM 0 HA3 GLY A 29 -5.796 13.850 4.628 1.00 0.50 H new ATOM 377 N GLN A 30 -3.203 13.122 3.704 1.00 0.35 N ATOM 378 CA GLN A 30 -1.708 13.068 3.801 1.00 0.34 C ATOM 379 C GLN A 30 -1.099 12.174 2.695 1.00 0.29 C ATOM 380 O GLN A 30 0.109 12.065 2.588 1.00 0.37 O ATOM 381 CB GLN A 30 -1.435 12.473 5.187 1.00 0.45 C ATOM 382 CG GLN A 30 -0.053 12.924 5.683 1.00 0.56 C ATOM 383 CD GLN A 30 0.887 11.717 5.760 1.00 0.57 C ATOM 384 OE1 GLN A 30 1.169 11.220 6.828 1.00 0.79 O ATOM 385 NE2 GLN A 30 1.382 11.218 4.667 1.00 0.61 N ATOM 0 H GLN A 30 -3.656 12.221 3.553 1.00 0.35 H new ATOM 0 HA GLN A 30 -1.258 14.052 3.669 1.00 0.34 H new ATOM 0 HB2 GLN A 30 -2.206 12.793 5.888 1.00 0.45 H new ATOM 0 HB3 GLN A 30 -1.478 11.385 5.141 1.00 0.45 H new ATOM 0 HG2 GLN A 30 0.359 13.675 5.009 1.00 0.56 H new ATOM 0 HG3 GLN A 30 -0.142 13.391 6.664 1.00 0.56 H new ATOM 0 HE21 GLN A 30 1.148 11.633 3.765 1.00 0.61 H new ATOM 0 HE22 GLN A 30 2.005 10.411 4.711 1.00 0.61 H new ATOM 394 N SER A 31 -1.917 11.530 1.884 1.00 0.25 N ATOM 395 CA SER A 31 -1.385 10.639 0.798 1.00 0.26 C ATOM 396 C SER A 31 -0.602 9.470 1.405 1.00 0.24 C ATOM 397 O SER A 31 0.520 9.188 1.026 1.00 0.30 O ATOM 398 CB SER A 31 -0.476 11.516 -0.068 1.00 0.34 C ATOM 399 OG SER A 31 -0.574 11.095 -1.425 1.00 0.40 O ATOM 0 H SER A 31 -2.934 11.586 1.930 1.00 0.25 H new ATOM 0 HA SER A 31 -2.190 10.207 0.204 1.00 0.26 H new ATOM 0 HB2 SER A 31 -0.767 12.563 0.022 1.00 0.34 H new ATOM 0 HB3 SER A 31 0.556 11.441 0.275 1.00 0.34 H new ATOM 0 HG SER A 31 -0.194 10.196 -1.517 1.00 0.40 H new ATOM 405 N TYR A 32 -1.194 8.783 2.344 1.00 0.20 N ATOM 406 CA TYR A 32 -0.497 7.621 2.980 1.00 0.22 C ATOM 407 C TYR A 32 -1.400 6.375 2.948 1.00 0.21 C ATOM 408 O TYR A 32 -2.573 6.436 3.276 1.00 0.23 O ATOM 409 CB TYR A 32 -0.176 8.076 4.416 1.00 0.28 C ATOM 410 CG TYR A 32 -1.380 7.933 5.318 1.00 0.32 C ATOM 411 CD1 TYR A 32 -2.361 8.931 5.343 1.00 0.38 C ATOM 412 CD2 TYR A 32 -1.505 6.808 6.141 1.00 0.48 C ATOM 413 CE1 TYR A 32 -3.469 8.803 6.191 1.00 0.54 C ATOM 414 CE2 TYR A 32 -2.614 6.678 6.986 1.00 0.63 C ATOM 415 CZ TYR A 32 -3.595 7.676 7.012 1.00 0.64 C ATOM 416 OH TYR A 32 -4.683 7.551 7.850 1.00 0.84 O ATOM 0 H TYR A 32 -2.130 8.974 2.700 1.00 0.20 H new ATOM 0 HA TYR A 32 0.415 7.338 2.454 1.00 0.22 H new ATOM 0 HB2 TYR A 32 0.650 7.485 4.811 1.00 0.28 H new ATOM 0 HB3 TYR A 32 0.152 9.115 4.406 1.00 0.28 H new ATOM 0 HD1 TYR A 32 -2.264 9.800 4.709 1.00 0.38 H new ATOM 0 HD2 TYR A 32 -0.746 6.040 6.124 1.00 0.48 H new ATOM 0 HE1 TYR A 32 -4.226 9.573 6.211 1.00 0.54 H new ATOM 0 HE2 TYR A 32 -2.712 5.808 7.618 1.00 0.63 H new ATOM 0 HH TYR A 32 -4.616 6.710 8.349 1.00 0.84 H new ATOM 426 N GLY A 33 -0.869 5.252 2.526 1.00 0.26 N ATOM 427 CA GLY A 33 -1.706 4.014 2.448 1.00 0.29 C ATOM 428 C GLY A 33 -0.914 2.784 2.884 1.00 0.25 C ATOM 429 O GLY A 33 0.282 2.845 3.110 1.00 0.33 O ATOM 0 H GLY A 33 0.102 5.140 2.234 1.00 0.26 H new ATOM 0 HA2 GLY A 33 -2.586 4.126 3.081 1.00 0.29 H new ATOM 0 HA3 GLY A 33 -2.063 3.877 1.427 1.00 0.29 H new ATOM 433 N VAL A 34 -1.577 1.662 3.000 1.00 0.20 N ATOM 434 CA VAL A 34 -0.869 0.409 3.427 1.00 0.22 C ATOM 435 C VAL A 34 -1.184 -0.740 2.465 1.00 0.20 C ATOM 436 O VAL A 34 -2.246 -0.801 1.882 1.00 0.24 O ATOM 437 CB VAL A 34 -1.383 0.098 4.842 1.00 0.27 C ATOM 438 CG1 VAL A 34 -1.025 1.250 5.787 1.00 0.33 C ATOM 439 CG2 VAL A 34 -2.905 -0.079 4.825 1.00 0.36 C ATOM 0 H VAL A 34 -2.575 1.555 2.819 1.00 0.20 H new ATOM 0 HA VAL A 34 0.214 0.535 3.419 1.00 0.22 H new ATOM 0 HB VAL A 34 -0.916 -0.824 5.188 1.00 0.27 H new ATOM 0 HG11 VAL A 34 -1.391 1.026 6.789 1.00 0.33 H new ATOM 0 HG12 VAL A 34 0.058 1.374 5.815 1.00 0.33 H new ATOM 0 HG13 VAL A 34 -1.487 2.171 5.430 1.00 0.33 H new ATOM 0 HG21 VAL A 34 -3.257 -0.299 5.833 1.00 0.36 H new ATOM 0 HG22 VAL A 34 -3.374 0.838 4.469 1.00 0.36 H new ATOM 0 HG23 VAL A 34 -3.168 -0.902 4.161 1.00 0.36 H new ATOM 449 N CYS A 35 -0.269 -1.650 2.280 1.00 0.20 N ATOM 450 CA CYS A 35 -0.532 -2.777 1.335 1.00 0.19 C ATOM 451 C CYS A 35 -1.193 -3.960 2.034 1.00 0.17 C ATOM 452 O CYS A 35 -1.027 -4.191 3.217 1.00 0.20 O ATOM 453 CB CYS A 35 0.824 -3.206 0.806 1.00 0.23 C ATOM 454 SG CYS A 35 1.671 -1.781 0.086 1.00 0.27 S ATOM 0 H CYS A 35 0.643 -1.665 2.737 1.00 0.20 H new ATOM 0 HA CYS A 35 -1.209 -2.453 0.545 1.00 0.19 H new ATOM 0 HB2 CYS A 35 1.423 -3.629 1.612 1.00 0.23 H new ATOM 0 HB3 CYS A 35 0.703 -3.987 0.056 1.00 0.23 H new ATOM 459 N LYS A 36 -1.917 -4.722 1.272 1.00 0.17 N ATOM 460 CA LYS A 36 -2.606 -5.935 1.815 1.00 0.19 C ATOM 461 C LYS A 36 -2.755 -6.995 0.712 1.00 0.19 C ATOM 462 O LYS A 36 -2.213 -6.852 -0.372 1.00 0.20 O ATOM 463 CB LYS A 36 -3.980 -5.453 2.283 1.00 0.24 C ATOM 464 CG LYS A 36 -4.362 -6.201 3.563 1.00 0.33 C ATOM 465 CD LYS A 36 -4.103 -5.302 4.777 1.00 0.38 C ATOM 466 CE LYS A 36 -3.100 -5.967 5.730 1.00 0.44 C ATOM 467 NZ LYS A 36 -3.718 -7.268 6.142 1.00 0.45 N ATOM 0 H LYS A 36 -2.068 -4.559 0.277 1.00 0.17 H new ATOM 0 HA LYS A 36 -2.044 -6.393 2.629 1.00 0.19 H new ATOM 0 HB2 LYS A 36 -3.960 -4.379 2.467 1.00 0.24 H new ATOM 0 HB3 LYS A 36 -4.725 -5.630 1.507 1.00 0.24 H new ATOM 0 HG2 LYS A 36 -5.413 -6.490 3.528 1.00 0.33 H new ATOM 0 HG3 LYS A 36 -3.782 -7.120 3.647 1.00 0.33 H new ATOM 0 HD2 LYS A 36 -3.717 -4.337 4.448 1.00 0.38 H new ATOM 0 HD3 LYS A 36 -5.039 -5.109 5.301 1.00 0.38 H new ATOM 0 HE2 LYS A 36 -2.142 -6.130 5.236 1.00 0.44 H new ATOM 0 HE3 LYS A 36 -2.908 -5.335 6.597 1.00 0.44 H new ATOM 0 HZ1 LYS A 36 -3.919 -7.249 7.162 1.00 0.45 H new ATOM 0 HZ2 LYS A 36 -4.604 -7.413 5.617 1.00 0.45 H new ATOM 0 HZ3 LYS A 36 -3.061 -8.046 5.933 1.00 0.45 H new ATOM 481 N ASN A 37 -3.487 -8.053 0.985 1.00 0.22 N ATOM 482 CA ASN A 37 -3.685 -9.136 -0.032 1.00 0.26 C ATOM 483 C ASN A 37 -4.248 -8.570 -1.346 1.00 0.24 C ATOM 484 O ASN A 37 -3.516 -8.347 -2.285 1.00 0.30 O ATOM 485 CB ASN A 37 -4.684 -10.109 0.610 1.00 0.34 C ATOM 486 CG ASN A 37 -4.051 -10.758 1.837 1.00 0.50 C ATOM 487 OD1 ASN A 37 -3.890 -10.121 2.858 1.00 0.57 O ATOM 488 ND2 ASN A 37 -3.675 -12.000 1.783 1.00 0.71 N ATOM 0 H ASN A 37 -3.958 -8.212 1.876 1.00 0.22 H new ATOM 0 HA ASN A 37 -2.744 -9.622 -0.289 1.00 0.26 H new ATOM 0 HB2 ASN A 37 -5.592 -9.578 0.895 1.00 0.34 H new ATOM 0 HB3 ASN A 37 -4.975 -10.875 -0.109 1.00 0.34 H new ATOM 0 HD21 ASN A 37 -3.245 -12.439 2.597 1.00 0.71 H new ATOM 0 HD22 ASN A 37 -3.809 -12.537 0.926 1.00 0.71 H new ATOM 495 N ARG A 38 -5.536 -8.338 -1.419 1.00 0.28 N ATOM 496 CA ARG A 38 -6.142 -7.793 -2.669 1.00 0.32 C ATOM 497 C ARG A 38 -7.630 -7.464 -2.454 1.00 0.41 C ATOM 498 CB ARG A 38 -5.979 -8.906 -3.712 1.00 0.37 C ATOM 499 CG ARG A 38 -5.105 -8.416 -4.874 1.00 0.45 C ATOM 500 CD ARG A 38 -5.822 -7.289 -5.624 1.00 0.54 C ATOM 501 NE ARG A 38 -6.895 -7.978 -6.402 1.00 0.67 N ATOM 502 CZ ARG A 38 -7.959 -7.334 -6.767 1.00 1.08 C ATOM 503 NH1 ARG A 38 -8.804 -6.924 -5.875 1.00 1.22 N ATOM 504 NH2 ARG A 38 -8.167 -7.097 -8.022 1.00 1.75 N ATOM 0 H ARG A 38 -6.196 -8.505 -0.660 1.00 0.28 H new ATOM 0 HA ARG A 38 -5.662 -6.866 -2.983 1.00 0.32 H new ATOM 0 HB2 ARG A 38 -5.526 -9.784 -3.251 1.00 0.37 H new ATOM 0 HB3 ARG A 38 -6.957 -9.211 -4.085 1.00 0.37 H new ATOM 0 HG2 ARG A 38 -4.147 -8.061 -4.495 1.00 0.45 H new ATOM 0 HG3 ARG A 38 -4.893 -9.241 -5.555 1.00 0.45 H new ATOM 0 HD2 ARG A 38 -6.241 -6.557 -4.933 1.00 0.54 H new ATOM 0 HD3 ARG A 38 -5.138 -6.752 -6.281 1.00 0.54 H new ATOM 0 HE ARG A 38 -6.790 -8.962 -6.648 1.00 0.67 H new ATOM 0 HH11 ARG A 38 -8.632 -7.108 -4.887 1.00 1.22 H new ATOM 0 HH12 ARG A 38 -9.642 -6.417 -6.161 1.00 1.22 H new ATOM 0 HH21 ARG A 38 -7.495 -7.417 -8.720 1.00 1.75 H new ATOM 0 HH22 ARG A 38 -9.003 -6.591 -8.314 1.00 1.75 H new TER 518 ARG A 38