USER MOD reduce.3.24.130724 H: found=0, std=0, add=530, rem=0, adj=21 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 24 THR OG1 : rot 26:sc= 1.23 USER MOD Set 1.2: A 65 ASN : amide:sc= -3.51! C(o=-2.3!,f=-5.2!) USER MOD Set 2.1: A 2 THR OG1 : rot 89:sc= 1.26 USER MOD Set 2.2: A 12 SER OG : rot 180:sc= -0.52 USER MOD Single : A 1 ILE N :NH3+ 146:sc= -0.046 (180deg=-0.417) USER MOD Single : A 4 TYR OH : rot 101:sc= 0.44 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot -117:sc= 0.741 USER MOD Single : A 11 THR OG1 : rot -73:sc= 0.152 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -2.12 K(o=-2.1,f=-0.35) USER MOD Single : A 20 ASN : amide:sc= -0.425 K(o=-0.42,f=-0.95) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -157:sc= -0.174 (180deg=-0.812) USER MOD Single : A 26 THR OG1 : rot 22:sc= -1.18! USER MOD Single : A 34 SER OG : rot 110:sc= 1.33 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=0.000731 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot -109:sc= 0.941 USER MOD Single : A 54 GLN : amide:sc= -25.1! C(o=-25!,f=-21!) USER MOD Single : A 57 LYS NZ :NH3+ -136:sc= -0.143 (180deg=-1.71!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 HIS : no HD1:sc= -0.252 K(o=-0.25,f=-3.2!) USER MOD Single : A 69 LYS NZ :NH3+ -169:sc= -0.0337 (180deg=-0.243) USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 LYS NZ :NH3+ -162:sc= -0.0956 (180deg=-0.462) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 15.842 4.430 -0.160 1.00 0.29 N ATOM 2 CA ILE A 1 14.524 4.350 -0.842 1.00 0.23 C ATOM 3 C ILE A 1 13.400 4.819 0.072 1.00 0.20 C ATOM 4 O ILE A 1 13.465 4.656 1.289 1.00 0.27 O ATOM 5 CB ILE A 1 14.223 2.910 -1.307 1.00 0.22 C ATOM 6 CG1 ILE A 1 12.838 2.831 -1.966 1.00 0.20 C ATOM 7 CG2 ILE A 1 14.322 1.945 -0.133 1.00 0.28 C ATOM 8 CD1 ILE A 1 12.433 1.430 -2.375 1.00 0.19 C ATOM 0 H1 ILE A 1 16.449 3.651 -0.485 1.00 0.29 H new ATOM 0 H2 ILE A 1 16.295 5.339 -0.385 1.00 0.29 H new ATOM 0 H3 ILE A 1 15.706 4.357 0.868 1.00 0.29 H new ATOM 0 HA ILE A 1 14.577 5.006 -1.711 1.00 0.23 H new ATOM 0 HB ILE A 1 14.966 2.623 -2.051 1.00 0.22 H new ATOM 0 HG12 ILE A 1 12.094 3.227 -1.274 1.00 0.20 H new ATOM 0 HG13 ILE A 1 12.828 3.473 -2.847 1.00 0.20 H new ATOM 0 HG21 ILE A 1 14.107 0.933 -0.475 1.00 0.28 H new ATOM 0 HG22 ILE A 1 15.328 1.981 0.284 1.00 0.28 H new ATOM 0 HG23 ILE A 1 13.601 2.229 0.634 1.00 0.28 H new ATOM 0 HD11 ILE A 1 11.444 1.456 -2.833 1.00 0.19 H new ATOM 0 HD12 ILE A 1 13.154 1.037 -3.092 1.00 0.19 H new ATOM 0 HD13 ILE A 1 12.409 0.787 -1.495 1.00 0.19 H new ATOM 22 N THR A 2 12.370 5.396 -0.532 1.00 0.18 N ATOM 23 CA THR A 2 11.221 5.889 0.203 1.00 0.17 C ATOM 24 C THR A 2 9.938 5.262 -0.323 1.00 0.20 C ATOM 25 O THR A 2 9.895 4.770 -1.451 1.00 0.27 O ATOM 26 CB THR A 2 11.109 7.418 0.096 1.00 0.19 C ATOM 27 OG1 THR A 2 11.423 7.840 -1.237 1.00 0.26 O ATOM 28 CG2 THR A 2 12.039 8.102 1.084 1.00 0.19 C ATOM 0 H THR A 2 12.311 5.534 -1.541 1.00 0.18 H new ATOM 0 HA THR A 2 11.361 5.614 1.248 1.00 0.17 H new ATOM 0 HB THR A 2 10.084 7.702 0.335 1.00 0.19 H new ATOM 0 HG1 THR A 2 10.609 7.832 -1.783 1.00 0.26 H new ATOM 0 HG21 THR A 2 11.940 9.183 0.988 1.00 0.19 H new ATOM 0 HG22 THR A 2 11.776 7.802 2.099 1.00 0.19 H new ATOM 0 HG23 THR A 2 13.069 7.812 0.875 1.00 0.19 H new ATOM 36 N CYS A 3 8.896 5.277 0.499 1.00 0.16 N ATOM 37 CA CYS A 3 7.608 4.711 0.111 1.00 0.19 C ATOM 38 C CYS A 3 6.471 5.479 0.775 1.00 0.19 C ATOM 39 O CYS A 3 6.688 6.195 1.753 1.00 0.27 O ATOM 40 CB CYS A 3 7.532 3.230 0.490 1.00 0.24 C ATOM 41 SG CYS A 3 9.059 2.292 0.157 1.00 0.41 S ATOM 0 H CYS A 3 8.917 5.674 1.438 1.00 0.16 H new ATOM 0 HA CYS A 3 7.509 4.798 -0.971 1.00 0.19 H new ATOM 0 HB2 CYS A 3 7.294 3.150 1.551 1.00 0.24 H new ATOM 0 HB3 CYS A 3 6.709 2.769 -0.057 1.00 0.24 H new ATOM 46 N TYR A 4 5.260 5.330 0.247 1.00 0.16 N ATOM 47 CA TYR A 4 4.109 6.028 0.800 1.00 0.18 C ATOM 48 C TYR A 4 3.364 5.182 1.823 1.00 0.23 C ATOM 49 O TYR A 4 3.179 3.982 1.637 1.00 0.26 O ATOM 50 CB TYR A 4 3.161 6.429 -0.321 1.00 0.20 C ATOM 51 CG TYR A 4 3.694 7.540 -1.197 1.00 0.20 C ATOM 52 CD1 TYR A 4 4.116 8.744 -0.644 1.00 0.31 C ATOM 53 CD2 TYR A 4 3.774 7.389 -2.576 1.00 0.33 C ATOM 54 CE1 TYR A 4 4.600 9.765 -1.439 1.00 0.36 C ATOM 55 CE2 TYR A 4 4.256 8.407 -3.378 1.00 0.35 C ATOM 56 CZ TYR A 4 4.666 9.592 -2.805 1.00 0.28 C ATOM 57 OH TYR A 4 5.144 10.608 -3.601 1.00 0.35 O ATOM 0 H TYR A 4 5.053 4.737 -0.557 1.00 0.16 H new ATOM 0 HA TYR A 4 4.479 6.916 1.312 1.00 0.18 H new ATOM 0 HB2 TYR A 4 2.955 5.556 -0.941 1.00 0.20 H new ATOM 0 HB3 TYR A 4 2.212 6.743 0.113 1.00 0.20 H new ATOM 0 HD1 TYR A 4 4.065 8.883 0.426 1.00 0.31 H new ATOM 0 HD2 TYR A 4 3.455 6.462 -3.029 1.00 0.33 H new ATOM 0 HE1 TYR A 4 4.925 10.693 -0.993 1.00 0.36 H new ATOM 0 HE2 TYR A 4 4.311 8.274 -4.448 1.00 0.35 H new ATOM 0 HH TYR A 4 6.072 10.418 -3.853 1.00 0.35 H new ATOM 67 N LYS A 5 2.945 5.825 2.911 1.00 0.32 N ATOM 68 CA LYS A 5 2.198 5.148 3.969 1.00 0.40 C ATOM 69 C LYS A 5 0.707 5.090 3.630 1.00 0.49 C ATOM 70 O LYS A 5 0.256 5.719 2.677 1.00 0.86 O ATOM 71 CB LYS A 5 2.399 5.868 5.304 1.00 0.58 C ATOM 72 CG LYS A 5 3.858 5.990 5.719 1.00 0.92 C ATOM 73 CD LYS A 5 4.508 4.626 5.904 1.00 1.68 C ATOM 74 CE LYS A 5 3.936 3.890 7.106 1.00 2.11 C ATOM 75 NZ LYS A 5 4.533 2.535 7.264 1.00 2.69 N ATOM 0 H LYS A 5 3.111 6.817 3.083 1.00 0.32 H new ATOM 0 HA LYS A 5 2.576 4.129 4.052 1.00 0.40 H new ATOM 0 HB2 LYS A 5 1.965 6.865 5.238 1.00 0.58 H new ATOM 0 HB3 LYS A 5 1.853 5.333 6.081 1.00 0.58 H new ATOM 0 HG2 LYS A 5 4.405 6.554 4.964 1.00 0.92 H new ATOM 0 HG3 LYS A 5 3.926 6.554 6.649 1.00 0.92 H new ATOM 0 HD2 LYS A 5 4.359 4.027 5.006 1.00 1.68 H new ATOM 0 HD3 LYS A 5 5.584 4.749 6.031 1.00 1.68 H new ATOM 0 HE2 LYS A 5 4.117 4.474 8.009 1.00 2.11 H new ATOM 0 HE3 LYS A 5 2.855 3.800 6.996 1.00 2.11 H new ATOM 0 HZ1 LYS A 5 4.117 2.067 8.094 1.00 2.69 H new ATOM 0 HZ2 LYS A 5 4.339 1.969 6.413 1.00 2.69 H new ATOM 0 HZ3 LYS A 5 5.561 2.622 7.395 1.00 2.69 H new ATOM 89 N THR A 6 -0.051 4.327 4.413 1.00 0.46 N ATOM 90 CA THR A 6 -1.491 4.192 4.194 1.00 0.50 C ATOM 91 C THR A 6 -2.294 5.299 4.889 1.00 0.60 C ATOM 92 O THR A 6 -3.125 5.946 4.251 1.00 0.64 O ATOM 93 CB THR A 6 -2.005 2.813 4.665 1.00 0.57 C ATOM 94 OG1 THR A 6 -1.703 1.818 3.683 1.00 1.51 O ATOM 95 CG2 THR A 6 -3.507 2.838 4.920 1.00 1.08 C ATOM 0 H THR A 6 0.306 3.792 5.205 1.00 0.46 H new ATOM 0 HA THR A 6 -1.643 4.285 3.119 1.00 0.50 H new ATOM 0 HB THR A 6 -1.503 2.571 5.602 1.00 0.57 H new ATOM 0 HG1 THR A 6 -2.537 1.438 3.335 1.00 1.51 H new ATOM 0 HG21 THR A 6 -3.836 1.853 5.250 1.00 1.08 H new ATOM 0 HG22 THR A 6 -3.733 3.574 5.692 1.00 1.08 H new ATOM 0 HG23 THR A 6 -4.028 3.106 4.001 1.00 1.08 H new ATOM 103 N PRO A 7 -2.072 5.530 6.202 1.00 0.71 N ATOM 104 CA PRO A 7 -2.806 6.554 6.955 1.00 0.85 C ATOM 105 C PRO A 7 -2.920 7.881 6.220 1.00 0.81 C ATOM 106 O PRO A 7 -2.037 8.257 5.454 1.00 0.76 O ATOM 107 CB PRO A 7 -1.972 6.719 8.218 1.00 0.97 C ATOM 108 CG PRO A 7 -1.384 5.372 8.436 1.00 1.03 C ATOM 109 CD PRO A 7 -1.099 4.823 7.062 1.00 0.76 C ATOM 0 HA PRO A 7 -3.839 6.254 7.132 1.00 0.85 H new ATOM 0 HB2 PRO A 7 -1.199 7.477 8.090 1.00 0.97 H new ATOM 0 HB3 PRO A 7 -2.585 7.029 9.064 1.00 0.97 H new ATOM 0 HG2 PRO A 7 -0.472 5.435 9.029 1.00 1.03 H new ATOM 0 HG3 PRO A 7 -2.074 4.727 8.980 1.00 1.03 H new ATOM 0 HD2 PRO A 7 -0.072 5.022 6.755 1.00 0.76 H new ATOM 0 HD3 PRO A 7 -1.239 3.743 7.024 1.00 0.76 H new ATOM 117 N ILE A 8 -4.019 8.582 6.491 1.00 0.89 N ATOM 118 CA ILE A 8 -4.319 9.884 5.886 1.00 0.90 C ATOM 119 C ILE A 8 -3.059 10.682 5.527 1.00 0.81 C ATOM 120 O ILE A 8 -2.944 11.161 4.399 1.00 0.77 O ATOM 121 CB ILE A 8 -5.219 10.735 6.811 1.00 1.04 C ATOM 122 CG1 ILE A 8 -6.600 10.087 6.945 1.00 1.15 C ATOM 123 CG2 ILE A 8 -5.340 12.159 6.282 1.00 1.08 C ATOM 124 CD1 ILE A 8 -7.497 10.766 7.957 1.00 1.82 C ATOM 0 H ILE A 8 -4.735 8.262 7.143 1.00 0.89 H new ATOM 0 HA ILE A 8 -4.849 9.666 4.959 1.00 0.90 H new ATOM 0 HB ILE A 8 -4.760 10.780 7.798 1.00 1.04 H new ATOM 0 HG12 ILE A 8 -7.092 10.097 5.972 1.00 1.15 H new ATOM 0 HG13 ILE A 8 -6.475 9.042 7.228 1.00 1.15 H new ATOM 0 HG21 ILE A 8 -5.977 12.741 6.947 1.00 1.08 H new ATOM 0 HG22 ILE A 8 -4.351 12.615 6.236 1.00 1.08 H new ATOM 0 HG23 ILE A 8 -5.778 12.140 5.284 1.00 1.08 H new ATOM 0 HD11 ILE A 8 -8.457 10.251 7.996 1.00 1.82 H new ATOM 0 HD12 ILE A 8 -7.027 10.732 8.940 1.00 1.82 H new ATOM 0 HD13 ILE A 8 -7.654 11.804 7.665 1.00 1.82 H new ATOM 136 N PRO A 9 -2.109 10.871 6.474 1.00 0.81 N ATOM 137 CA PRO A 9 -0.867 11.608 6.197 1.00 0.75 C ATOM 138 C PRO A 9 0.071 10.858 5.257 1.00 0.61 C ATOM 139 O PRO A 9 1.289 10.898 5.429 1.00 0.56 O ATOM 140 CB PRO A 9 -0.221 11.743 7.575 1.00 0.84 C ATOM 141 CG PRO A 9 -0.756 10.591 8.346 1.00 0.89 C ATOM 142 CD PRO A 9 -2.173 10.433 7.884 1.00 0.90 C ATOM 0 HA PRO A 9 -1.070 12.557 5.700 1.00 0.75 H new ATOM 0 HB2 PRO A 9 0.866 11.707 7.510 1.00 0.84 H new ATOM 0 HB3 PRO A 9 -0.481 12.691 8.045 1.00 0.84 H new ATOM 0 HG2 PRO A 9 -0.177 9.687 8.156 1.00 0.89 H new ATOM 0 HG3 PRO A 9 -0.710 10.780 9.419 1.00 0.89 H new ATOM 0 HD2 PRO A 9 -2.514 9.402 7.972 1.00 0.90 H new ATOM 0 HD3 PRO A 9 -2.859 11.047 8.467 1.00 0.90 H new ATOM 150 N ILE A 10 -0.500 10.167 4.273 1.00 0.58 N ATOM 151 CA ILE A 10 0.282 9.426 3.300 1.00 0.46 C ATOM 152 C ILE A 10 1.461 10.252 2.817 1.00 0.36 C ATOM 153 O ILE A 10 1.308 11.167 2.008 1.00 0.40 O ATOM 154 CB ILE A 10 -0.575 9.005 2.094 1.00 0.52 C ATOM 155 CG1 ILE A 10 -1.720 8.112 2.577 1.00 0.68 C ATOM 156 CG2 ILE A 10 0.286 8.293 1.056 1.00 0.54 C ATOM 157 CD1 ILE A 10 -2.808 7.879 1.556 1.00 0.61 C ATOM 0 H ILE A 10 -1.509 10.108 4.132 1.00 0.58 H new ATOM 0 HA ILE A 10 0.649 8.528 3.797 1.00 0.46 H new ATOM 0 HB ILE A 10 -1.000 9.888 1.617 1.00 0.52 H new ATOM 0 HG12 ILE A 10 -1.310 7.148 2.878 1.00 0.68 H new ATOM 0 HG13 ILE A 10 -2.164 8.561 3.466 1.00 0.68 H new ATOM 0 HG21 ILE A 10 -0.333 8.001 0.208 1.00 0.54 H new ATOM 0 HG22 ILE A 10 1.074 8.964 0.715 1.00 0.54 H new ATOM 0 HG23 ILE A 10 0.733 7.405 1.502 1.00 0.54 H new ATOM 0 HD11 ILE A 10 -3.577 7.236 1.984 1.00 0.61 H new ATOM 0 HD12 ILE A 10 -3.250 8.834 1.271 1.00 0.61 H new ATOM 0 HD13 ILE A 10 -2.383 7.399 0.675 1.00 0.61 H new ATOM 169 N THR A 11 2.636 9.920 3.324 1.00 0.30 N ATOM 170 CA THR A 11 3.848 10.630 2.963 1.00 0.27 C ATOM 171 C THR A 11 4.944 9.665 2.550 1.00 0.22 C ATOM 172 O THR A 11 4.843 8.455 2.772 1.00 0.24 O ATOM 173 CB THR A 11 4.358 11.500 4.127 1.00 0.33 C ATOM 174 OG1 THR A 11 4.366 10.741 5.341 1.00 0.38 O ATOM 175 CG2 THR A 11 3.491 12.738 4.300 1.00 0.39 C ATOM 0 H THR A 11 2.775 9.160 3.990 1.00 0.30 H new ATOM 0 HA THR A 11 3.598 11.275 2.120 1.00 0.27 H new ATOM 0 HB THR A 11 5.374 11.819 3.894 1.00 0.33 H new ATOM 0 HG1 THR A 11 3.446 10.612 5.652 1.00 0.38 H new ATOM 0 HG21 THR A 11 3.872 13.336 5.128 1.00 0.39 H new ATOM 0 HG22 THR A 11 3.514 13.329 3.385 1.00 0.39 H new ATOM 0 HG23 THR A 11 2.465 12.437 4.511 1.00 0.39 H new ATOM 183 N SER A 12 5.984 10.213 1.940 1.00 0.21 N ATOM 184 CA SER A 12 7.122 9.421 1.493 1.00 0.20 C ATOM 185 C SER A 12 8.182 9.366 2.586 1.00 0.25 C ATOM 186 O SER A 12 8.652 10.401 3.058 1.00 0.37 O ATOM 187 CB SER A 12 7.704 10.011 0.207 1.00 0.26 C ATOM 188 OG SER A 12 9.103 9.801 0.132 1.00 0.58 O ATOM 0 H SER A 12 6.064 11.210 1.742 1.00 0.21 H new ATOM 0 HA SER A 12 6.787 8.405 1.284 1.00 0.20 H new ATOM 0 HB2 SER A 12 7.219 9.556 -0.657 1.00 0.26 H new ATOM 0 HB3 SER A 12 7.492 11.079 0.166 1.00 0.26 H new ATOM 0 HG SER A 12 9.448 10.187 -0.700 1.00 0.58 H new ATOM 194 N GLU A 13 8.554 8.156 2.984 1.00 0.19 N ATOM 195 CA GLU A 13 9.543 7.978 4.045 1.00 0.26 C ATOM 196 C GLU A 13 10.468 6.802 3.756 1.00 0.19 C ATOM 197 O GLU A 13 10.088 5.855 3.070 1.00 0.16 O ATOM 198 CB GLU A 13 8.844 7.768 5.391 1.00 0.36 C ATOM 199 CG GLU A 13 7.970 8.938 5.811 1.00 1.32 C ATOM 200 CD GLU A 13 7.346 8.739 7.179 1.00 1.92 C ATOM 201 OE1 GLU A 13 6.268 8.113 7.255 1.00 2.55 O ATOM 202 OE2 GLU A 13 7.937 9.208 8.174 1.00 2.36 O ATOM 0 H GLU A 13 8.190 7.287 2.593 1.00 0.19 H new ATOM 0 HA GLU A 13 10.148 8.883 4.087 1.00 0.26 H new ATOM 0 HB2 GLU A 13 8.231 6.868 5.336 1.00 0.36 H new ATOM 0 HB3 GLU A 13 9.598 7.594 6.159 1.00 0.36 H new ATOM 0 HG2 GLU A 13 8.568 9.849 5.818 1.00 1.32 H new ATOM 0 HG3 GLU A 13 7.181 9.080 5.073 1.00 1.32 H new ATOM 209 N THR A 14 11.681 6.870 4.294 1.00 0.23 N ATOM 210 CA THR A 14 12.664 5.815 4.095 1.00 0.20 C ATOM 211 C THR A 14 12.259 4.547 4.839 1.00 0.21 C ATOM 212 O THR A 14 11.580 4.606 5.863 1.00 0.24 O ATOM 213 CB THR A 14 14.061 6.257 4.567 1.00 0.23 C ATOM 214 OG1 THR A 14 14.384 7.536 4.009 1.00 0.29 O ATOM 215 CG2 THR A 14 15.116 5.241 4.155 1.00 0.25 C ATOM 0 H THR A 14 12.006 7.646 4.871 1.00 0.23 H new ATOM 0 HA THR A 14 12.702 5.608 3.026 1.00 0.20 H new ATOM 0 HB THR A 14 14.048 6.327 5.655 1.00 0.23 H new ATOM 0 HG1 THR A 14 15.273 7.811 4.315 1.00 0.29 H new ATOM 0 HG21 THR A 14 16.095 5.574 4.499 1.00 0.25 H new ATOM 0 HG22 THR A 14 14.884 4.274 4.601 1.00 0.25 H new ATOM 0 HG23 THR A 14 15.126 5.146 3.069 1.00 0.25 H new ATOM 223 N CYS A 15 12.680 3.400 4.314 1.00 0.23 N ATOM 224 CA CYS A 15 12.354 2.117 4.920 1.00 0.29 C ATOM 225 C CYS A 15 13.320 1.770 6.047 1.00 0.28 C ATOM 226 O CYS A 15 14.295 2.481 6.291 1.00 0.29 O ATOM 227 CB CYS A 15 12.383 1.019 3.861 1.00 0.35 C ATOM 228 SG CYS A 15 11.322 1.353 2.420 1.00 0.81 S ATOM 0 H CYS A 15 13.248 3.335 3.469 1.00 0.23 H new ATOM 0 HA CYS A 15 11.353 2.192 5.344 1.00 0.29 H new ATOM 0 HB2 CYS A 15 13.409 0.884 3.520 1.00 0.35 H new ATOM 0 HB3 CYS A 15 12.073 0.079 4.318 1.00 0.35 H new ATOM 233 N ALA A 16 13.031 0.668 6.729 1.00 0.34 N ATOM 234 CA ALA A 16 13.862 0.199 7.831 1.00 0.36 C ATOM 235 C ALA A 16 15.151 -0.431 7.303 1.00 0.32 C ATOM 236 O ALA A 16 15.233 -0.777 6.125 1.00 0.29 O ATOM 237 CB ALA A 16 13.082 -0.805 8.670 1.00 0.39 C ATOM 0 H ALA A 16 12.221 0.079 6.536 1.00 0.34 H new ATOM 0 HA ALA A 16 14.133 1.050 8.456 1.00 0.36 H new ATOM 0 HB1 ALA A 16 13.706 -1.154 9.493 1.00 0.39 H new ATOM 0 HB2 ALA A 16 12.187 -0.328 9.070 1.00 0.39 H new ATOM 0 HB3 ALA A 16 12.794 -1.653 8.048 1.00 0.39 H new ATOM 243 N PRO A 17 16.182 -0.583 8.158 1.00 0.38 N ATOM 244 CA PRO A 17 17.452 -1.185 7.746 1.00 0.40 C ATOM 245 C PRO A 17 17.258 -2.591 7.191 1.00 0.35 C ATOM 246 O PRO A 17 16.674 -3.453 7.846 1.00 0.36 O ATOM 247 CB PRO A 17 18.284 -1.226 9.033 1.00 0.50 C ATOM 248 CG PRO A 17 17.305 -1.030 10.142 1.00 0.61 C ATOM 249 CD PRO A 17 16.203 -0.184 9.575 1.00 0.47 C ATOM 0 HA PRO A 17 17.929 -0.617 6.947 1.00 0.40 H new ATOM 0 HB2 PRO A 17 18.806 -2.177 9.133 1.00 0.50 H new ATOM 0 HB3 PRO A 17 19.043 -0.444 9.036 1.00 0.50 H new ATOM 0 HG2 PRO A 17 16.920 -1.986 10.496 1.00 0.61 H new ATOM 0 HG3 PRO A 17 17.774 -0.539 10.995 1.00 0.61 H new ATOM 0 HD2 PRO A 17 15.249 -0.381 10.065 1.00 0.47 H new ATOM 0 HD3 PRO A 17 16.408 0.880 9.693 1.00 0.47 H new ATOM 257 N GLY A 18 17.754 -2.813 5.980 1.00 0.36 N ATOM 258 CA GLY A 18 17.618 -4.110 5.347 1.00 0.35 C ATOM 259 C GLY A 18 16.583 -4.105 4.239 1.00 0.32 C ATOM 260 O GLY A 18 16.646 -4.918 3.317 1.00 0.34 O ATOM 0 H GLY A 18 18.249 -2.116 5.424 1.00 0.36 H new ATOM 0 HA2 GLY A 18 18.582 -4.415 4.939 1.00 0.35 H new ATOM 0 HA3 GLY A 18 17.340 -4.850 6.097 1.00 0.35 H new ATOM 264 N GLN A 19 15.625 -3.184 4.331 1.00 0.28 N ATOM 265 CA GLN A 19 14.572 -3.072 3.328 1.00 0.26 C ATOM 266 C GLN A 19 15.122 -2.478 2.037 1.00 0.20 C ATOM 267 O GLN A 19 16.258 -2.003 1.997 1.00 0.41 O ATOM 268 CB GLN A 19 13.430 -2.199 3.848 1.00 0.40 C ATOM 269 CG GLN A 19 12.990 -2.537 5.261 1.00 0.48 C ATOM 270 CD GLN A 19 12.105 -3.761 5.321 1.00 0.59 C ATOM 271 OE1 GLN A 19 12.581 -4.884 5.498 1.00 1.44 O ATOM 272 NE2 GLN A 19 10.807 -3.548 5.164 1.00 0.53 N ATOM 0 H GLN A 19 15.558 -2.506 5.090 1.00 0.28 H new ATOM 0 HA GLN A 19 14.192 -4.073 3.124 1.00 0.26 H new ATOM 0 HB2 GLN A 19 13.740 -1.155 3.815 1.00 0.40 H new ATOM 0 HB3 GLN A 19 12.576 -2.299 3.178 1.00 0.40 H new ATOM 0 HG2 GLN A 19 13.871 -2.700 5.882 1.00 0.48 H new ATOM 0 HG3 GLN A 19 12.455 -1.686 5.684 1.00 0.48 H new ATOM 0 HE21 GLN A 19 10.460 -2.600 5.020 1.00 0.53 H new ATOM 0 HE22 GLN A 19 10.155 -4.332 5.187 1.00 0.53 H new ATOM 281 N ASN A 20 14.311 -2.502 0.983 1.00 0.19 N ATOM 282 CA ASN A 20 14.724 -1.961 -0.307 1.00 0.21 C ATOM 283 C ASN A 20 13.543 -1.845 -1.273 1.00 0.17 C ATOM 284 O ASN A 20 13.705 -1.396 -2.407 1.00 0.21 O ATOM 285 CB ASN A 20 15.810 -2.847 -0.920 1.00 0.36 C ATOM 286 CG ASN A 20 16.416 -2.245 -2.174 1.00 1.26 C ATOM 287 OD1 ASN A 20 15.954 -2.502 -3.286 1.00 2.05 O ATOM 288 ND2 ASN A 20 17.456 -1.437 -2.000 1.00 2.02 N ATOM 0 H ASN A 20 13.367 -2.889 0.997 1.00 0.19 H new ATOM 0 HA ASN A 20 15.119 -0.959 -0.138 1.00 0.21 H new ATOM 0 HB2 ASN A 20 16.597 -3.012 -0.184 1.00 0.36 H new ATOM 0 HB3 ASN A 20 15.386 -3.823 -1.158 1.00 0.36 H new ATOM 0 HD21 ASN A 20 17.904 -1.002 -2.806 1.00 2.02 H new ATOM 0 HD22 ASN A 20 17.806 -1.252 -1.060 1.00 2.02 H new ATOM 295 N LEU A 21 12.356 -2.242 -0.821 1.00 0.18 N ATOM 296 CA LEU A 21 11.168 -2.183 -1.661 1.00 0.18 C ATOM 297 C LEU A 21 9.962 -1.644 -0.911 1.00 0.21 C ATOM 298 O LEU A 21 9.977 -1.492 0.310 1.00 0.39 O ATOM 299 CB LEU A 21 10.833 -3.572 -2.200 1.00 0.21 C ATOM 300 CG LEU A 21 11.602 -3.993 -3.445 1.00 0.70 C ATOM 301 CD1 LEU A 21 11.291 -5.437 -3.785 1.00 1.20 C ATOM 302 CD2 LEU A 21 11.255 -3.085 -4.610 1.00 1.31 C ATOM 0 H LEU A 21 12.194 -2.606 0.118 1.00 0.18 H new ATOM 0 HA LEU A 21 11.394 -1.502 -2.482 1.00 0.18 H new ATOM 0 HB2 LEU A 21 11.020 -4.303 -1.414 1.00 0.21 H new ATOM 0 HB3 LEU A 21 9.767 -3.609 -2.422 1.00 0.21 H new ATOM 0 HG LEU A 21 12.670 -3.905 -3.246 1.00 0.70 H new ATOM 0 HD11 LEU A 21 11.846 -5.728 -4.677 1.00 1.20 H new ATOM 0 HD12 LEU A 21 11.581 -6.077 -2.952 1.00 1.20 H new ATOM 0 HD13 LEU A 21 10.222 -5.545 -3.971 1.00 1.20 H new ATOM 0 HD21 LEU A 21 11.812 -3.398 -5.493 1.00 1.31 H new ATOM 0 HD22 LEU A 21 10.186 -3.147 -4.814 1.00 1.31 H new ATOM 0 HD23 LEU A 21 11.517 -2.057 -4.361 1.00 1.31 H new ATOM 314 N CYS A 22 8.922 -1.356 -1.677 1.00 0.20 N ATOM 315 CA CYS A 22 7.665 -0.858 -1.139 1.00 0.21 C ATOM 316 C CYS A 22 6.548 -1.805 -1.553 1.00 0.20 C ATOM 317 O CYS A 22 6.729 -2.614 -2.465 1.00 0.31 O ATOM 318 CB CYS A 22 7.373 0.550 -1.661 1.00 0.24 C ATOM 319 SG CYS A 22 8.832 1.636 -1.747 1.00 0.35 S ATOM 0 H CYS A 22 8.925 -1.461 -2.692 1.00 0.20 H new ATOM 0 HA CYS A 22 7.733 -0.809 -0.052 1.00 0.21 H new ATOM 0 HB2 CYS A 22 6.934 0.472 -2.656 1.00 0.24 H new ATOM 0 HB3 CYS A 22 6.626 1.015 -1.018 1.00 0.24 H new ATOM 324 N TYR A 23 5.395 -1.709 -0.904 1.00 0.21 N ATOM 325 CA TYR A 23 4.284 -2.588 -1.249 1.00 0.20 C ATOM 326 C TYR A 23 2.941 -1.924 -1.008 1.00 0.19 C ATOM 327 O TYR A 23 2.776 -1.122 -0.088 1.00 0.20 O ATOM 328 CB TYR A 23 4.353 -3.917 -0.480 1.00 0.22 C ATOM 329 CG TYR A 23 4.099 -3.806 1.008 1.00 0.21 C ATOM 330 CD1 TYR A 23 2.804 -3.732 1.516 1.00 0.22 C ATOM 331 CD2 TYR A 23 5.157 -3.793 1.909 1.00 0.22 C ATOM 332 CE1 TYR A 23 2.574 -3.646 2.872 1.00 0.23 C ATOM 333 CE2 TYR A 23 4.934 -3.706 3.269 1.00 0.23 C ATOM 334 CZ TYR A 23 3.641 -3.634 3.746 1.00 0.23 C ATOM 335 OH TYR A 23 3.415 -3.548 5.100 1.00 0.25 O ATOM 0 H TYR A 23 5.205 -1.047 -0.152 1.00 0.21 H new ATOM 0 HA TYR A 23 4.377 -2.797 -2.315 1.00 0.20 H new ATOM 0 HB2 TYR A 23 3.625 -4.606 -0.908 1.00 0.22 H new ATOM 0 HB3 TYR A 23 5.338 -4.358 -0.634 1.00 0.22 H new ATOM 0 HD1 TYR A 23 1.966 -3.742 0.835 1.00 0.22 H new ATOM 0 HD2 TYR A 23 6.170 -3.852 1.540 1.00 0.22 H new ATOM 0 HE1 TYR A 23 1.563 -3.588 3.248 1.00 0.23 H new ATOM 0 HE2 TYR A 23 5.767 -3.694 3.956 1.00 0.23 H new ATOM 0 HH TYR A 23 4.272 -3.552 5.576 1.00 0.25 H new ATOM 345 N THR A 24 1.990 -2.275 -1.860 1.00 0.18 N ATOM 346 CA THR A 24 0.634 -1.759 -1.769 1.00 0.18 C ATOM 347 C THR A 24 -0.340 -2.918 -1.655 1.00 0.16 C ATOM 348 O THR A 24 -0.561 -3.649 -2.617 1.00 0.18 O ATOM 349 CB THR A 24 0.262 -0.899 -2.994 1.00 0.22 C ATOM 350 OG1 THR A 24 1.078 0.277 -3.035 1.00 0.26 O ATOM 351 CG2 THR A 24 -1.207 -0.498 -2.955 1.00 0.25 C ATOM 0 H THR A 24 2.137 -2.925 -2.633 1.00 0.18 H new ATOM 0 HA THR A 24 0.577 -1.125 -0.884 1.00 0.18 H new ATOM 0 HB THR A 24 0.436 -1.495 -3.890 1.00 0.22 H new ATOM 0 HG1 THR A 24 1.925 0.104 -2.573 1.00 0.26 H new ATOM 0 HG21 THR A 24 -1.442 0.108 -3.830 1.00 0.25 H new ATOM 0 HG22 THR A 24 -1.829 -1.393 -2.956 1.00 0.25 H new ATOM 0 HG23 THR A 24 -1.403 0.079 -2.051 1.00 0.25 H new ATOM 359 N LYS A 25 -0.929 -3.073 -0.480 1.00 0.16 N ATOM 360 CA LYS A 25 -1.861 -4.161 -0.237 1.00 0.17 C ATOM 361 C LYS A 25 -3.288 -3.702 -0.478 1.00 0.16 C ATOM 362 O LYS A 25 -3.817 -2.892 0.272 1.00 0.19 O ATOM 363 CB LYS A 25 -1.724 -4.634 1.213 1.00 0.23 C ATOM 364 CG LYS A 25 -1.888 -6.132 1.402 1.00 0.35 C ATOM 365 CD LYS A 25 -0.617 -6.869 1.027 1.00 0.60 C ATOM 366 CE LYS A 25 -0.352 -8.047 1.948 1.00 0.69 C ATOM 367 NZ LYS A 25 0.952 -8.700 1.642 1.00 0.75 N ATOM 0 H LYS A 25 -0.778 -2.459 0.320 1.00 0.16 H new ATOM 0 HA LYS A 25 -1.631 -4.978 -0.921 1.00 0.17 H new ATOM 0 HB2 LYS A 25 -0.744 -4.338 1.588 1.00 0.23 H new ATOM 0 HB3 LYS A 25 -2.467 -4.120 1.822 1.00 0.23 H new ATOM 0 HG2 LYS A 25 -2.144 -6.345 2.440 1.00 0.35 H new ATOM 0 HG3 LYS A 25 -2.715 -6.491 0.790 1.00 0.35 H new ATOM 0 HD2 LYS A 25 -0.692 -7.222 -0.001 1.00 0.60 H new ATOM 0 HD3 LYS A 25 0.227 -6.180 1.067 1.00 0.60 H new ATOM 0 HE2 LYS A 25 -0.355 -7.708 2.984 1.00 0.69 H new ATOM 0 HE3 LYS A 25 -1.157 -8.776 1.849 1.00 0.69 H new ATOM 0 HZ1 LYS A 25 0.937 -9.682 1.984 1.00 0.75 H new ATOM 0 HZ2 LYS A 25 1.110 -8.694 0.614 1.00 0.75 H new ATOM 0 HZ3 LYS A 25 1.720 -8.180 2.114 1.00 0.75 H new ATOM 381 N THR A 26 -3.913 -4.230 -1.520 1.00 0.18 N ATOM 382 CA THR A 26 -5.287 -3.861 -1.826 1.00 0.21 C ATOM 383 C THR A 26 -6.240 -4.976 -1.427 1.00 0.24 C ATOM 384 O THR A 26 -6.104 -6.114 -1.875 1.00 0.28 O ATOM 385 CB THR A 26 -5.480 -3.534 -3.315 1.00 0.26 C ATOM 386 OG1 THR A 26 -5.427 -4.732 -4.095 1.00 0.35 O ATOM 387 CG2 THR A 26 -4.413 -2.562 -3.797 1.00 0.31 C ATOM 0 H THR A 26 -3.497 -4.906 -2.160 1.00 0.18 H new ATOM 0 HA THR A 26 -5.509 -2.963 -1.250 1.00 0.21 H new ATOM 0 HB THR A 26 -6.458 -3.068 -3.436 1.00 0.26 H new ATOM 0 HG1 THR A 26 -5.628 -5.503 -3.524 1.00 0.35 H new ATOM 0 HG21 THR A 26 -4.569 -2.345 -4.854 1.00 0.31 H new ATOM 0 HG22 THR A 26 -4.477 -1.638 -3.223 1.00 0.31 H new ATOM 0 HG23 THR A 26 -3.427 -3.007 -3.660 1.00 0.31 H new ATOM 395 N TRP A 27 -7.206 -4.640 -0.582 1.00 0.25 N ATOM 396 CA TRP A 27 -8.171 -5.623 -0.111 1.00 0.31 C ATOM 397 C TRP A 27 -9.498 -4.960 0.274 1.00 0.37 C ATOM 398 O TRP A 27 -9.583 -3.741 0.509 1.00 0.38 O ATOM 399 CB TRP A 27 -7.590 -6.410 1.079 1.00 0.32 C ATOM 400 CG TRP A 27 -6.887 -5.528 2.061 1.00 0.30 C ATOM 401 CD1 TRP A 27 -7.158 -4.223 2.273 1.00 0.31 C ATOM 402 CD2 TRP A 27 -5.814 -5.860 2.952 1.00 0.32 C ATOM 403 NE1 TRP A 27 -6.328 -3.704 3.220 1.00 0.32 N ATOM 404 CE2 TRP A 27 -5.495 -4.686 3.662 1.00 0.32 C ATOM 405 CE3 TRP A 27 -5.088 -7.020 3.223 1.00 0.35 C ATOM 406 CZ2 TRP A 27 -4.493 -4.637 4.619 1.00 0.36 C ATOM 407 CZ3 TRP A 27 -4.089 -6.966 4.180 1.00 0.39 C ATOM 408 CH2 TRP A 27 -3.802 -5.783 4.865 1.00 0.39 C ATOM 0 H TRP A 27 -7.341 -3.700 -0.211 1.00 0.25 H new ATOM 0 HA TRP A 27 -8.374 -6.318 -0.926 1.00 0.31 H new ATOM 0 HB2 TRP A 27 -8.395 -6.943 1.585 1.00 0.32 H new ATOM 0 HB3 TRP A 27 -6.894 -7.162 0.708 1.00 0.32 H new ATOM 0 HD1 TRP A 27 -7.929 -3.666 1.761 1.00 0.31 H new ATOM 0 HE1 TRP A 27 -6.330 -2.737 3.545 1.00 0.32 H new ATOM 0 HE3 TRP A 27 -5.300 -7.940 2.698 1.00 0.35 H new ATOM 0 HZ2 TRP A 27 -4.269 -3.723 5.149 1.00 0.36 H new ATOM 0 HZ3 TRP A 27 -3.520 -7.857 4.401 1.00 0.39 H new ATOM 0 HH2 TRP A 27 -3.015 -5.778 5.605 1.00 0.39 H new ATOM 419 N CYS A 28 -10.521 -5.792 0.349 1.00 0.45 N ATOM 420 CA CYS A 28 -11.869 -5.350 0.678 1.00 0.54 C ATOM 421 C CYS A 28 -12.725 -6.538 1.116 1.00 0.62 C ATOM 422 O CYS A 28 -13.011 -7.430 0.317 1.00 0.64 O ATOM 423 CB CYS A 28 -12.501 -4.689 -0.549 1.00 0.59 C ATOM 424 SG CYS A 28 -13.147 -3.014 -0.260 1.00 1.31 S ATOM 0 H CYS A 28 -10.443 -6.795 0.184 1.00 0.45 H new ATOM 0 HA CYS A 28 -11.817 -4.633 1.497 1.00 0.54 H new ATOM 0 HB2 CYS A 28 -11.757 -4.645 -1.345 1.00 0.59 H new ATOM 0 HB3 CYS A 28 -13.314 -5.321 -0.907 1.00 0.59 H new ATOM 429 N ASP A 29 -13.133 -6.546 2.381 1.00 0.69 N ATOM 430 CA ASP A 29 -13.961 -7.629 2.907 1.00 0.78 C ATOM 431 C ASP A 29 -14.858 -7.135 4.040 1.00 0.90 C ATOM 432 O ASP A 29 -15.993 -6.719 3.809 1.00 0.97 O ATOM 433 CB ASP A 29 -13.084 -8.786 3.396 1.00 0.78 C ATOM 434 CG ASP A 29 -12.306 -9.442 2.272 1.00 1.36 C ATOM 435 OD1 ASP A 29 -12.846 -10.374 1.642 1.00 1.48 O ATOM 436 OD2 ASP A 29 -11.156 -9.022 2.022 1.00 2.22 O ATOM 0 H ASP A 29 -12.906 -5.819 3.059 1.00 0.69 H new ATOM 0 HA ASP A 29 -14.598 -7.986 2.098 1.00 0.78 H new ATOM 0 HB2 ASP A 29 -12.387 -8.416 4.148 1.00 0.78 H new ATOM 0 HB3 ASP A 29 -13.712 -9.533 3.883 1.00 0.78 H new ATOM 441 N ALA A 30 -14.339 -7.184 5.263 1.00 0.94 N ATOM 442 CA ALA A 30 -15.084 -6.743 6.434 1.00 1.07 C ATOM 443 C ALA A 30 -15.086 -5.227 6.537 1.00 1.06 C ATOM 444 O ALA A 30 -16.136 -4.595 6.647 1.00 1.16 O ATOM 445 CB ALA A 30 -14.486 -7.348 7.694 1.00 1.13 C ATOM 0 H ALA A 30 -13.400 -7.527 5.468 1.00 0.94 H new ATOM 0 HA ALA A 30 -16.115 -7.082 6.329 1.00 1.07 H new ATOM 0 HB1 ALA A 30 -15.051 -7.011 8.563 1.00 1.13 H new ATOM 0 HB2 ALA A 30 -14.530 -8.435 7.632 1.00 1.13 H new ATOM 0 HB3 ALA A 30 -13.447 -7.032 7.792 1.00 1.13 H new ATOM 451 N TRP A 31 -13.891 -4.655 6.500 1.00 0.98 N ATOM 452 CA TRP A 31 -13.718 -3.213 6.595 1.00 0.99 C ATOM 453 C TRP A 31 -14.113 -2.529 5.288 1.00 0.98 C ATOM 454 O TRP A 31 -14.025 -1.307 5.165 1.00 1.04 O ATOM 455 CB TRP A 31 -12.260 -2.879 6.930 1.00 0.94 C ATOM 456 CG TRP A 31 -11.490 -4.037 7.499 1.00 0.91 C ATOM 457 CD1 TRP A 31 -11.292 -4.323 8.818 1.00 0.98 C ATOM 458 CD2 TRP A 31 -10.816 -5.066 6.762 1.00 0.86 C ATOM 459 NE1 TRP A 31 -10.528 -5.457 8.947 1.00 0.98 N ATOM 460 CE2 TRP A 31 -10.224 -5.933 7.699 1.00 0.91 C ATOM 461 CE3 TRP A 31 -10.654 -5.336 5.400 1.00 0.81 C ATOM 462 CZ2 TRP A 31 -9.483 -7.051 7.316 1.00 0.92 C ATOM 463 CZ3 TRP A 31 -9.920 -6.444 5.022 1.00 0.81 C ATOM 464 CH2 TRP A 31 -9.343 -7.289 5.977 1.00 0.87 C ATOM 0 H TRP A 31 -13.018 -5.174 6.404 1.00 0.98 H new ATOM 0 HA TRP A 31 -14.367 -2.845 7.390 1.00 0.99 H new ATOM 0 HB2 TRP A 31 -11.760 -2.530 6.027 1.00 0.94 H new ATOM 0 HB3 TRP A 31 -12.240 -2.055 7.644 1.00 0.94 H new ATOM 0 HD1 TRP A 31 -11.680 -3.742 9.642 1.00 0.98 H new ATOM 0 HE1 TRP A 31 -10.235 -5.877 9.829 1.00 0.98 H new ATOM 0 HE3 TRP A 31 -11.095 -4.689 4.656 1.00 0.81 H new ATOM 0 HZ2 TRP A 31 -9.036 -7.705 8.050 1.00 0.92 H new ATOM 0 HZ3 TRP A 31 -9.789 -6.662 3.972 1.00 0.81 H new ATOM 0 HH2 TRP A 31 -8.775 -8.147 5.649 1.00 0.87 H new ATOM 475 N CYS A 32 -14.550 -3.325 4.316 1.00 0.94 N ATOM 476 CA CYS A 32 -14.948 -2.798 3.016 1.00 0.97 C ATOM 477 C CYS A 32 -16.321 -2.139 3.082 1.00 1.10 C ATOM 478 O CYS A 32 -16.430 -0.913 3.070 1.00 1.47 O ATOM 479 CB CYS A 32 -14.953 -3.917 1.974 1.00 0.95 C ATOM 480 SG CYS A 32 -15.079 -3.328 0.258 1.00 0.97 S ATOM 0 H CYS A 32 -14.637 -4.337 4.405 1.00 0.94 H new ATOM 0 HA CYS A 32 -14.223 -2.038 2.725 1.00 0.97 H new ATOM 0 HB2 CYS A 32 -14.040 -4.503 2.080 1.00 0.95 H new ATOM 0 HB3 CYS A 32 -15.788 -4.587 2.180 1.00 0.95 H new ATOM 485 N GLY A 33 -17.368 -2.957 3.151 1.00 1.28 N ATOM 486 CA GLY A 33 -18.716 -2.428 3.223 1.00 1.47 C ATOM 487 C GLY A 33 -19.077 -1.997 4.628 1.00 2.07 C ATOM 488 O GLY A 33 -20.198 -2.218 5.086 1.00 2.53 O ATOM 0 H GLY A 33 -17.306 -3.975 3.158 1.00 1.28 H new ATOM 0 HA2 GLY A 33 -18.809 -1.578 2.547 1.00 1.47 H new ATOM 0 HA3 GLY A 33 -19.422 -3.185 2.882 1.00 1.47 H new ATOM 492 N SER A 34 -18.118 -1.381 5.312 1.00 2.44 N ATOM 493 CA SER A 34 -18.325 -0.922 6.676 1.00 3.45 C ATOM 494 C SER A 34 -17.770 0.482 6.876 1.00 3.56 C ATOM 495 O SER A 34 -18.416 1.329 7.493 1.00 4.28 O ATOM 496 CB SER A 34 -17.657 -1.884 7.658 1.00 4.13 C ATOM 497 OG SER A 34 -18.228 -3.177 7.573 1.00 4.69 O ATOM 0 H SER A 34 -17.188 -1.189 4.940 1.00 2.44 H new ATOM 0 HA SER A 34 -19.399 -0.896 6.863 1.00 3.45 H new ATOM 0 HB2 SER A 34 -16.589 -1.940 7.447 1.00 4.13 H new ATOM 0 HB3 SER A 34 -17.762 -1.503 8.674 1.00 4.13 H new ATOM 0 HG SER A 34 -17.584 -3.793 7.165 1.00 4.69 H new ATOM 503 N ARG A 35 -16.570 0.729 6.352 1.00 3.00 N ATOM 504 CA ARG A 35 -15.941 2.035 6.497 1.00 3.12 C ATOM 505 C ARG A 35 -15.278 2.504 5.206 1.00 2.03 C ATOM 506 O ARG A 35 -14.885 3.666 5.098 1.00 2.11 O ATOM 507 CB ARG A 35 -14.912 1.995 7.623 1.00 3.95 C ATOM 508 CG ARG A 35 -13.800 0.994 7.381 1.00 4.47 C ATOM 509 CD ARG A 35 -12.677 1.148 8.395 1.00 5.52 C ATOM 510 NE ARG A 35 -11.571 0.233 8.129 1.00 6.05 N ATOM 511 CZ ARG A 35 -10.417 0.259 8.790 1.00 7.03 C ATOM 512 NH1 ARG A 35 -10.217 1.150 9.751 1.00 7.53 N ATOM 513 NH2 ARG A 35 -9.461 -0.609 8.488 1.00 7.71 N ATOM 0 H ARG A 35 -16.021 0.047 5.829 1.00 3.00 H new ATOM 0 HA ARG A 35 -16.728 2.750 6.739 1.00 3.12 H new ATOM 0 HB2 ARG A 35 -14.478 2.987 7.745 1.00 3.95 H new ATOM 0 HB3 ARG A 35 -15.416 1.750 8.558 1.00 3.95 H new ATOM 0 HG2 ARG A 35 -14.203 -0.018 7.434 1.00 4.47 H new ATOM 0 HG3 ARG A 35 -13.403 1.127 6.375 1.00 4.47 H new ATOM 0 HD2 ARG A 35 -12.311 2.174 8.377 1.00 5.52 H new ATOM 0 HD3 ARG A 35 -13.066 0.966 9.397 1.00 5.52 H new ATOM 0 HE ARG A 35 -11.690 -0.465 7.395 1.00 6.05 H new ATOM 0 HH11 ARG A 35 -10.950 1.819 9.986 1.00 7.53 H new ATOM 0 HH12 ARG A 35 -9.330 1.166 10.255 1.00 7.53 H new ATOM 0 HH21 ARG A 35 -9.611 -1.296 7.749 1.00 7.71 H new ATOM 0 HH22 ARG A 35 -8.576 -0.590 8.995 1.00 7.71 H new ATOM 527 N GLY A 36 -15.151 1.611 4.230 1.00 1.30 N ATOM 528 CA GLY A 36 -14.534 1.980 2.983 1.00 1.09 C ATOM 529 C GLY A 36 -13.297 1.163 2.689 1.00 0.99 C ATOM 530 O GLY A 36 -12.494 0.895 3.584 1.00 1.47 O ATOM 0 H GLY A 36 -15.465 0.642 4.286 1.00 1.30 H new ATOM 0 HA2 GLY A 36 -15.252 1.851 2.173 1.00 1.09 H new ATOM 0 HA3 GLY A 36 -14.270 3.037 3.010 1.00 1.09 H new ATOM 534 N LYS A 37 -13.180 0.753 1.434 1.00 0.68 N ATOM 535 CA LYS A 37 -12.047 -0.027 0.946 1.00 0.57 C ATOM 536 C LYS A 37 -10.778 0.290 1.725 1.00 0.52 C ATOM 537 O LYS A 37 -10.510 1.448 2.047 1.00 0.60 O ATOM 538 CB LYS A 37 -11.830 0.271 -0.535 1.00 0.62 C ATOM 539 CG LYS A 37 -13.098 0.201 -1.370 1.00 0.84 C ATOM 540 CD LYS A 37 -12.812 0.482 -2.836 1.00 1.27 C ATOM 541 CE LYS A 37 -14.085 0.461 -3.667 1.00 1.92 C ATOM 542 NZ LYS A 37 -13.818 0.762 -5.101 1.00 2.59 N ATOM 0 H LYS A 37 -13.876 0.954 0.716 1.00 0.68 H new ATOM 0 HA LYS A 37 -12.272 -1.084 1.086 1.00 0.57 H new ATOM 0 HB2 LYS A 37 -11.395 1.265 -0.635 1.00 0.62 H new ATOM 0 HB3 LYS A 37 -11.104 -0.436 -0.935 1.00 0.62 H new ATOM 0 HG2 LYS A 37 -13.549 -0.786 -1.268 1.00 0.84 H new ATOM 0 HG3 LYS A 37 -13.823 0.923 -0.994 1.00 0.84 H new ATOM 0 HD2 LYS A 37 -12.329 1.454 -2.933 1.00 1.27 H new ATOM 0 HD3 LYS A 37 -12.113 -0.261 -3.220 1.00 1.27 H new ATOM 0 HE2 LYS A 37 -14.557 -0.518 -3.583 1.00 1.92 H new ATOM 0 HE3 LYS A 37 -14.791 1.190 -3.268 1.00 1.92 H new ATOM 0 HZ1 LYS A 37 -14.711 0.738 -5.633 1.00 2.59 H new ATOM 0 HZ2 LYS A 37 -13.391 1.707 -5.184 1.00 2.59 H new ATOM 0 HZ3 LYS A 37 -13.165 0.052 -5.489 1.00 2.59 H new ATOM 556 N VAL A 38 -9.989 -0.738 2.014 1.00 0.44 N ATOM 557 CA VAL A 38 -8.765 -0.551 2.780 1.00 0.42 C ATOM 558 C VAL A 38 -7.534 -0.990 1.988 1.00 0.33 C ATOM 559 O VAL A 38 -7.634 -1.790 1.056 1.00 0.29 O ATOM 560 CB VAL A 38 -8.871 -1.302 4.122 1.00 0.50 C ATOM 561 CG1 VAL A 38 -9.382 -2.694 3.877 1.00 1.00 C ATOM 562 CG2 VAL A 38 -7.553 -1.325 4.895 1.00 1.21 C ATOM 0 H VAL A 38 -10.173 -1.701 1.732 1.00 0.44 H new ATOM 0 HA VAL A 38 -8.643 0.513 2.985 1.00 0.42 H new ATOM 0 HB VAL A 38 -9.577 -0.760 4.752 1.00 0.50 H new ATOM 0 HG11 VAL A 38 -9.457 -3.226 4.825 1.00 1.00 H new ATOM 0 HG12 VAL A 38 -10.366 -2.644 3.410 1.00 1.00 H new ATOM 0 HG13 VAL A 38 -8.694 -3.223 3.218 1.00 1.00 H new ATOM 0 HG21 VAL A 38 -7.689 -1.867 5.831 1.00 1.21 H new ATOM 0 HG22 VAL A 38 -6.789 -1.821 4.296 1.00 1.21 H new ATOM 0 HG23 VAL A 38 -7.239 -0.303 5.110 1.00 1.21 H new ATOM 572 N ILE A 39 -6.381 -0.421 2.338 1.00 0.33 N ATOM 573 CA ILE A 39 -5.121 -0.742 1.678 1.00 0.28 C ATOM 574 C ILE A 39 -3.950 -0.580 2.650 1.00 0.33 C ATOM 575 O ILE A 39 -3.915 0.369 3.429 1.00 0.55 O ATOM 576 CB ILE A 39 -4.899 0.153 0.435 1.00 0.32 C ATOM 577 CG1 ILE A 39 -5.824 -0.281 -0.704 1.00 0.31 C ATOM 578 CG2 ILE A 39 -3.444 0.113 -0.013 1.00 0.36 C ATOM 579 CD1 ILE A 39 -5.804 0.655 -1.892 1.00 0.40 C ATOM 0 H ILE A 39 -6.296 0.271 3.083 1.00 0.33 H new ATOM 0 HA ILE A 39 -5.172 -1.781 1.351 1.00 0.28 H new ATOM 0 HB ILE A 39 -5.139 1.181 0.707 1.00 0.32 H new ATOM 0 HG12 ILE A 39 -5.536 -1.279 -1.034 1.00 0.31 H new ATOM 0 HG13 ILE A 39 -6.844 -0.352 -0.325 1.00 0.31 H new ATOM 0 HG21 ILE A 39 -3.315 0.750 -0.888 1.00 0.36 H new ATOM 0 HG22 ILE A 39 -2.805 0.471 0.794 1.00 0.36 H new ATOM 0 HG23 ILE A 39 -3.169 -0.911 -0.266 1.00 0.36 H new ATOM 0 HD11 ILE A 39 -6.483 0.284 -2.659 1.00 0.40 H new ATOM 0 HD12 ILE A 39 -6.121 1.649 -1.577 1.00 0.40 H new ATOM 0 HD13 ILE A 39 -4.793 0.708 -2.297 1.00 0.40 H new ATOM 591 N GLU A 40 -2.996 -1.513 2.608 1.00 0.22 N ATOM 592 CA GLU A 40 -1.835 -1.461 3.500 1.00 0.24 C ATOM 593 C GLU A 40 -0.536 -1.195 2.739 1.00 0.26 C ATOM 594 O GLU A 40 -0.095 -2.020 1.942 1.00 0.54 O ATOM 595 CB GLU A 40 -1.702 -2.772 4.280 1.00 0.28 C ATOM 596 CG GLU A 40 -0.595 -2.750 5.320 1.00 0.62 C ATOM 597 CD GLU A 40 -0.512 -4.041 6.113 1.00 1.31 C ATOM 598 OE1 GLU A 40 0.201 -4.966 5.669 1.00 2.21 O ATOM 599 OE2 GLU A 40 -1.159 -4.126 7.178 1.00 1.43 O ATOM 0 H GLU A 40 -3.004 -2.309 1.970 1.00 0.22 H new ATOM 0 HA GLU A 40 -2.001 -0.633 4.189 1.00 0.24 H new ATOM 0 HB2 GLU A 40 -2.649 -2.989 4.774 1.00 0.28 H new ATOM 0 HB3 GLU A 40 -1.514 -3.585 3.579 1.00 0.28 H new ATOM 0 HG2 GLU A 40 0.359 -2.570 4.825 1.00 0.62 H new ATOM 0 HG3 GLU A 40 -0.761 -1.918 6.004 1.00 0.62 H new ATOM 606 N LEU A 41 0.085 -0.050 3.010 1.00 0.19 N ATOM 607 CA LEU A 41 1.341 0.309 2.361 1.00 0.22 C ATOM 608 C LEU A 41 2.498 0.130 3.333 1.00 0.21 C ATOM 609 O LEU A 41 2.318 0.235 4.546 1.00 0.29 O ATOM 610 CB LEU A 41 1.316 1.760 1.859 1.00 0.34 C ATOM 611 CG LEU A 41 0.091 2.164 1.034 1.00 0.36 C ATOM 612 CD1 LEU A 41 0.312 3.516 0.370 1.00 1.06 C ATOM 613 CD2 LEU A 41 -0.233 1.107 -0.011 1.00 1.30 C ATOM 0 H LEU A 41 -0.261 0.643 3.673 1.00 0.19 H new ATOM 0 HA LEU A 41 1.474 -0.350 1.503 1.00 0.22 H new ATOM 0 HB2 LEU A 41 1.383 2.423 2.721 1.00 0.34 H new ATOM 0 HB3 LEU A 41 2.208 1.930 1.256 1.00 0.34 H new ATOM 0 HG LEU A 41 -0.759 2.246 1.712 1.00 0.36 H new ATOM 0 HD11 LEU A 41 -0.570 3.784 -0.211 1.00 1.06 H new ATOM 0 HD12 LEU A 41 0.487 4.273 1.135 1.00 1.06 H new ATOM 0 HD13 LEU A 41 1.178 3.460 -0.290 1.00 1.06 H new ATOM 0 HD21 LEU A 41 -1.107 1.417 -0.584 1.00 1.30 H new ATOM 0 HD22 LEU A 41 0.617 0.987 -0.683 1.00 1.30 H new ATOM 0 HD23 LEU A 41 -0.442 0.158 0.484 1.00 1.30 H new ATOM 625 N GLY A 42 3.683 -0.138 2.801 1.00 0.21 N ATOM 626 CA GLY A 42 4.840 -0.323 3.657 1.00 0.22 C ATOM 627 C GLY A 42 6.109 -0.642 2.892 1.00 0.20 C ATOM 628 O GLY A 42 6.200 -0.394 1.689 1.00 0.24 O ATOM 0 H GLY A 42 3.864 -0.230 1.801 1.00 0.21 H new ATOM 0 HA2 GLY A 42 4.996 0.582 4.245 1.00 0.22 H new ATOM 0 HA3 GLY A 42 4.637 -1.130 4.361 1.00 0.22 H new ATOM 632 N CYS A 43 7.089 -1.195 3.601 1.00 0.21 N ATOM 633 CA CYS A 43 8.368 -1.550 3.007 1.00 0.21 C ATOM 634 C CYS A 43 8.680 -3.028 3.211 1.00 0.17 C ATOM 635 O CYS A 43 8.193 -3.650 4.156 1.00 0.22 O ATOM 636 CB CYS A 43 9.473 -0.706 3.633 1.00 0.26 C ATOM 637 SG CYS A 43 9.450 1.043 3.131 1.00 1.25 S ATOM 0 H CYS A 43 7.017 -1.407 4.596 1.00 0.21 H new ATOM 0 HA CYS A 43 8.312 -1.357 1.936 1.00 0.21 H new ATOM 0 HB2 CYS A 43 9.387 -0.762 4.718 1.00 0.26 H new ATOM 0 HB3 CYS A 43 10.438 -1.136 3.367 1.00 0.26 H new ATOM 642 N ALA A 44 9.493 -3.585 2.319 1.00 0.19 N ATOM 643 CA ALA A 44 9.882 -4.984 2.412 1.00 0.19 C ATOM 644 C ALA A 44 11.181 -5.233 1.662 1.00 0.18 C ATOM 645 O ALA A 44 11.416 -4.654 0.603 1.00 0.20 O ATOM 646 CB ALA A 44 8.772 -5.875 1.880 1.00 0.23 C ATOM 0 H ALA A 44 9.894 -3.087 1.524 1.00 0.19 H new ATOM 0 HA ALA A 44 10.048 -5.228 3.461 1.00 0.19 H new ATOM 0 HB1 ALA A 44 9.076 -6.919 1.955 1.00 0.23 H new ATOM 0 HB2 ALA A 44 7.867 -5.717 2.466 1.00 0.23 H new ATOM 0 HB3 ALA A 44 8.576 -5.628 0.836 1.00 0.23 H new ATOM 652 N ALA A 45 12.029 -6.088 2.222 1.00 0.19 N ATOM 653 CA ALA A 45 13.305 -6.411 1.599 1.00 0.21 C ATOM 654 C ALA A 45 13.087 -6.934 0.186 1.00 0.20 C ATOM 655 O ALA A 45 13.945 -6.787 -0.685 1.00 0.22 O ATOM 656 CB ALA A 45 14.061 -7.429 2.437 1.00 0.24 C ATOM 0 H ALA A 45 11.856 -6.569 3.105 1.00 0.19 H new ATOM 0 HA ALA A 45 13.904 -5.502 1.540 1.00 0.21 H new ATOM 0 HB1 ALA A 45 15.012 -7.660 1.958 1.00 0.24 H new ATOM 0 HB2 ALA A 45 14.245 -7.018 3.430 1.00 0.24 H new ATOM 0 HB3 ALA A 45 13.469 -8.340 2.525 1.00 0.24 H new ATOM 662 N THR A 46 11.922 -7.538 -0.027 1.00 0.19 N ATOM 663 CA THR A 46 11.555 -8.088 -1.323 1.00 0.21 C ATOM 664 C THR A 46 10.039 -8.118 -1.481 1.00 0.20 C ATOM 665 O THR A 46 9.316 -8.251 -0.492 1.00 0.22 O ATOM 666 CB THR A 46 12.098 -9.518 -1.505 1.00 0.24 C ATOM 667 OG1 THR A 46 11.884 -10.279 -0.311 1.00 0.25 O ATOM 668 CG2 THR A 46 13.581 -9.504 -1.848 1.00 0.31 C ATOM 0 H THR A 46 11.209 -7.659 0.693 1.00 0.19 H new ATOM 0 HA THR A 46 11.997 -7.442 -2.081 1.00 0.21 H new ATOM 0 HB THR A 46 11.560 -9.980 -2.333 1.00 0.24 H new ATOM 0 HG1 THR A 46 12.230 -11.187 -0.435 1.00 0.25 H new ATOM 0 HG21 THR A 46 13.936 -10.527 -1.970 1.00 0.31 H new ATOM 0 HG22 THR A 46 13.735 -8.953 -2.776 1.00 0.31 H new ATOM 0 HG23 THR A 46 14.136 -9.021 -1.044 1.00 0.31 H new ATOM 676 N CYS A 47 9.566 -7.977 -2.720 1.00 0.21 N ATOM 677 CA CYS A 47 8.133 -8.007 -3.010 1.00 0.24 C ATOM 678 C CYS A 47 7.433 -9.055 -2.138 1.00 0.25 C ATOM 679 O CYS A 47 7.642 -10.255 -2.320 1.00 0.32 O ATOM 680 CB CYS A 47 7.912 -8.321 -4.491 1.00 0.29 C ATOM 681 SG CYS A 47 6.179 -8.196 -5.035 1.00 0.32 S ATOM 0 H CYS A 47 10.157 -7.841 -3.540 1.00 0.21 H new ATOM 0 HA CYS A 47 7.707 -7.030 -2.784 1.00 0.24 H new ATOM 0 HB2 CYS A 47 8.518 -7.640 -5.089 1.00 0.29 H new ATOM 0 HB3 CYS A 47 8.272 -9.330 -4.694 1.00 0.29 H new ATOM 686 N PRO A 48 6.589 -8.621 -1.177 1.00 0.27 N ATOM 687 CA PRO A 48 5.887 -9.537 -0.269 1.00 0.33 C ATOM 688 C PRO A 48 4.804 -10.349 -0.966 1.00 0.36 C ATOM 689 O PRO A 48 4.389 -10.032 -2.082 1.00 0.36 O ATOM 690 CB PRO A 48 5.268 -8.594 0.763 1.00 0.38 C ATOM 691 CG PRO A 48 5.050 -7.338 0.011 1.00 0.49 C ATOM 692 CD PRO A 48 6.232 -7.212 -0.905 1.00 0.35 C ATOM 0 HA PRO A 48 6.560 -10.283 0.154 1.00 0.33 H new ATOM 0 HB2 PRO A 48 4.333 -8.991 1.157 1.00 0.38 H new ATOM 0 HB3 PRO A 48 5.932 -8.440 1.613 1.00 0.38 H new ATOM 0 HG2 PRO A 48 4.118 -7.374 -0.553 1.00 0.49 H new ATOM 0 HG3 PRO A 48 4.982 -6.484 0.684 1.00 0.49 H new ATOM 0 HD2 PRO A 48 5.979 -6.675 -1.819 1.00 0.35 H new ATOM 0 HD3 PRO A 48 7.053 -6.671 -0.434 1.00 0.35 H new ATOM 700 N THR A 49 4.353 -11.401 -0.294 1.00 0.42 N ATOM 701 CA THR A 49 3.318 -12.277 -0.829 1.00 0.49 C ATOM 702 C THR A 49 1.961 -11.959 -0.220 1.00 0.50 C ATOM 703 O THR A 49 1.869 -11.309 0.821 1.00 0.54 O ATOM 704 CB THR A 49 3.646 -13.759 -0.578 1.00 0.63 C ATOM 705 OG1 THR A 49 4.147 -13.935 0.752 1.00 0.69 O ATOM 706 CG2 THR A 49 4.667 -14.264 -1.586 1.00 0.68 C ATOM 0 H THR A 49 4.691 -11.670 0.630 1.00 0.42 H new ATOM 0 HA THR A 49 3.282 -12.100 -1.904 1.00 0.49 H new ATOM 0 HB THR A 49 2.729 -14.336 -0.695 1.00 0.63 H new ATOM 0 HG1 THR A 49 4.351 -14.882 0.902 1.00 0.69 H new ATOM 0 HG21 THR A 49 4.884 -15.314 -1.389 1.00 0.68 H new ATOM 0 HG22 THR A 49 4.266 -14.159 -2.594 1.00 0.68 H new ATOM 0 HG23 THR A 49 5.584 -13.682 -1.498 1.00 0.68 H new ATOM 714 N VAL A 50 0.911 -12.427 -0.882 1.00 0.54 N ATOM 715 CA VAL A 50 -0.452 -12.195 -0.420 1.00 0.58 C ATOM 716 C VAL A 50 -1.255 -13.498 -0.372 1.00 0.75 C ATOM 717 O VAL A 50 -0.741 -14.562 -0.720 1.00 0.84 O ATOM 718 CB VAL A 50 -1.175 -11.182 -1.321 1.00 0.50 C ATOM 719 CG1 VAL A 50 -0.637 -9.778 -1.100 1.00 0.42 C ATOM 720 CG2 VAL A 50 -1.054 -11.580 -2.786 1.00 0.57 C ATOM 0 H VAL A 50 0.977 -12.971 -1.742 1.00 0.54 H new ATOM 0 HA VAL A 50 -0.383 -11.789 0.589 1.00 0.58 H new ATOM 0 HB VAL A 50 -2.231 -11.186 -1.052 1.00 0.50 H new ATOM 0 HG11 VAL A 50 -1.165 -9.080 -1.749 1.00 0.42 H new ATOM 0 HG12 VAL A 50 -0.787 -9.490 -0.059 1.00 0.42 H new ATOM 0 HG13 VAL A 50 0.428 -9.756 -1.333 1.00 0.42 H new ATOM 0 HG21 VAL A 50 -1.573 -10.849 -3.406 1.00 0.57 H new ATOM 0 HG22 VAL A 50 -0.002 -11.613 -3.068 1.00 0.57 H new ATOM 0 HG23 VAL A 50 -1.500 -12.563 -2.934 1.00 0.57 H new ATOM 730 N GLU A 51 -2.518 -13.412 0.061 1.00 0.81 N ATOM 731 CA GLU A 51 -3.372 -14.596 0.158 1.00 0.98 C ATOM 732 C GLU A 51 -4.375 -14.677 -1.006 1.00 0.93 C ATOM 733 O GLU A 51 -3.984 -14.572 -2.168 1.00 0.92 O ATOM 734 CB GLU A 51 -4.081 -14.637 1.519 1.00 1.09 C ATOM 735 CG GLU A 51 -4.769 -13.338 1.913 1.00 0.99 C ATOM 736 CD GLU A 51 -5.143 -13.304 3.382 1.00 1.22 C ATOM 737 OE1 GLU A 51 -5.886 -14.203 3.826 1.00 1.39 O ATOM 738 OE2 GLU A 51 -4.690 -12.378 4.088 1.00 1.31 O ATOM 0 H GLU A 51 -2.966 -12.542 0.347 1.00 0.81 H new ATOM 0 HA GLU A 51 -2.733 -15.476 0.081 1.00 0.98 H new ATOM 0 HB2 GLU A 51 -4.823 -15.436 1.504 1.00 1.09 H new ATOM 0 HB3 GLU A 51 -3.351 -14.894 2.287 1.00 1.09 H new ATOM 0 HG2 GLU A 51 -4.110 -12.499 1.689 1.00 0.99 H new ATOM 0 HG3 GLU A 51 -5.667 -13.208 1.309 1.00 0.99 H new ATOM 745 N SER A 52 -5.660 -14.886 -0.701 1.00 0.98 N ATOM 746 CA SER A 52 -6.684 -15.011 -1.739 1.00 0.97 C ATOM 747 C SER A 52 -7.410 -13.696 -2.077 1.00 0.78 C ATOM 748 O SER A 52 -7.215 -13.124 -3.150 1.00 0.75 O ATOM 749 CB SER A 52 -7.713 -16.063 -1.322 1.00 1.11 C ATOM 750 OG SER A 52 -8.745 -16.180 -2.285 1.00 1.15 O ATOM 0 H SER A 52 -6.013 -14.972 0.252 1.00 0.98 H new ATOM 0 HA SER A 52 -6.156 -15.310 -2.644 1.00 0.97 H new ATOM 0 HB2 SER A 52 -7.220 -17.027 -1.194 1.00 1.11 H new ATOM 0 HB3 SER A 52 -8.142 -15.794 -0.357 1.00 1.11 H new ATOM 0 HG SER A 52 -9.388 -16.860 -1.994 1.00 1.15 H new ATOM 756 N TYR A 53 -8.250 -13.240 -1.147 1.00 0.73 N ATOM 757 CA TYR A 53 -9.085 -12.039 -1.326 1.00 0.62 C ATOM 758 C TYR A 53 -8.323 -10.706 -1.298 1.00 0.57 C ATOM 759 O TYR A 53 -8.843 -9.713 -0.786 1.00 0.72 O ATOM 760 CB TYR A 53 -10.142 -12.019 -0.222 1.00 0.64 C ATOM 761 CG TYR A 53 -9.559 -12.228 1.162 1.00 0.69 C ATOM 762 CD1 TYR A 53 -8.835 -11.224 1.793 1.00 0.66 C ATOM 763 CD2 TYR A 53 -9.727 -13.433 1.832 1.00 0.93 C ATOM 764 CE1 TYR A 53 -8.298 -11.410 3.050 1.00 0.77 C ATOM 765 CE2 TYR A 53 -9.193 -13.628 3.093 1.00 1.05 C ATOM 766 CZ TYR A 53 -8.480 -12.614 3.697 1.00 0.94 C ATOM 767 OH TYR A 53 -7.947 -12.805 4.951 1.00 1.10 O ATOM 0 H TYR A 53 -8.375 -13.692 -0.241 1.00 0.73 H new ATOM 0 HA TYR A 53 -9.515 -12.116 -2.325 1.00 0.62 H new ATOM 0 HB2 TYR A 53 -10.668 -11.065 -0.248 1.00 0.64 H new ATOM 0 HB3 TYR A 53 -10.881 -12.796 -0.420 1.00 0.64 H new ATOM 0 HD1 TYR A 53 -8.690 -10.280 1.290 1.00 0.66 H new ATOM 0 HD2 TYR A 53 -10.283 -14.230 1.361 1.00 0.93 H new ATOM 0 HE1 TYR A 53 -7.738 -10.617 3.524 1.00 0.77 H new ATOM 0 HE2 TYR A 53 -9.334 -14.570 3.602 1.00 1.05 H new ATOM 0 HH TYR A 53 -7.194 -13.429 4.895 1.00 1.10 H new ATOM 777 N GLN A 54 -7.125 -10.656 -1.856 1.00 0.61 N ATOM 778 CA GLN A 54 -6.356 -9.412 -1.855 1.00 0.70 C ATOM 779 C GLN A 54 -5.418 -9.325 -3.057 1.00 0.66 C ATOM 780 O GLN A 54 -5.373 -10.225 -3.896 1.00 0.81 O ATOM 781 CB GLN A 54 -5.550 -9.283 -0.559 1.00 0.85 C ATOM 782 CG GLN A 54 -4.291 -10.118 -0.570 1.00 0.89 C ATOM 783 CD GLN A 54 -4.575 -11.536 -1.005 1.00 1.62 C ATOM 784 OE1 GLN A 54 -3.845 -12.112 -1.807 1.00 2.37 O ATOM 785 NE2 GLN A 54 -5.648 -12.101 -0.478 1.00 1.90 N ATOM 0 H GLN A 54 -6.665 -11.445 -2.310 1.00 0.61 H new ATOM 0 HA GLN A 54 -7.068 -8.590 -1.923 1.00 0.70 H new ATOM 0 HB2 GLN A 54 -5.286 -8.237 -0.403 1.00 0.85 H new ATOM 0 HB3 GLN A 54 -6.173 -9.584 0.283 1.00 0.85 H new ATOM 0 HG2 GLN A 54 -3.560 -9.669 -1.243 1.00 0.89 H new ATOM 0 HG3 GLN A 54 -3.847 -10.123 0.425 1.00 0.89 H new ATOM 0 HE21 GLN A 54 -6.224 -11.582 0.185 1.00 1.90 H new ATOM 0 HE22 GLN A 54 -5.900 -13.056 -0.734 1.00 1.90 H new ATOM 794 N ASP A 55 -4.673 -8.227 -3.121 1.00 0.50 N ATOM 795 CA ASP A 55 -3.721 -7.988 -4.197 1.00 0.46 C ATOM 796 C ASP A 55 -2.553 -7.171 -3.661 1.00 0.40 C ATOM 797 O ASP A 55 -2.647 -6.592 -2.579 1.00 0.38 O ATOM 798 CB ASP A 55 -4.392 -7.243 -5.355 1.00 0.49 C ATOM 799 CG ASP A 55 -3.771 -7.577 -6.697 1.00 0.70 C ATOM 800 OD1 ASP A 55 -4.224 -8.551 -7.335 1.00 0.90 O ATOM 801 OD2 ASP A 55 -2.830 -6.865 -7.109 1.00 0.84 O ATOM 0 H ASP A 55 -4.713 -7.479 -2.429 1.00 0.50 H new ATOM 0 HA ASP A 55 -3.359 -8.946 -4.570 1.00 0.46 H new ATOM 0 HB2 ASP A 55 -5.453 -7.492 -5.377 1.00 0.49 H new ATOM 0 HB3 ASP A 55 -4.320 -6.169 -5.182 1.00 0.49 H new ATOM 806 N ILE A 56 -1.454 -7.124 -4.401 1.00 0.38 N ATOM 807 CA ILE A 56 -0.293 -6.367 -3.956 1.00 0.34 C ATOM 808 C ILE A 56 0.534 -5.829 -5.119 1.00 0.33 C ATOM 809 O ILE A 56 0.598 -6.433 -6.190 1.00 0.36 O ATOM 810 CB ILE A 56 0.618 -7.210 -3.047 1.00 0.37 C ATOM 811 CG1 ILE A 56 1.746 -6.341 -2.493 1.00 0.62 C ATOM 812 CG2 ILE A 56 1.180 -8.402 -3.806 1.00 0.49 C ATOM 813 CD1 ILE A 56 1.898 -6.428 -0.994 1.00 0.55 C ATOM 0 H ILE A 56 -1.342 -7.594 -5.299 1.00 0.38 H new ATOM 0 HA ILE A 56 -0.691 -5.523 -3.393 1.00 0.34 H new ATOM 0 HB ILE A 56 0.027 -7.591 -2.214 1.00 0.37 H new ATOM 0 HG12 ILE A 56 2.684 -6.636 -2.962 1.00 0.62 H new ATOM 0 HG13 ILE A 56 1.563 -5.303 -2.771 1.00 0.62 H new ATOM 0 HG21 ILE A 56 1.821 -8.985 -3.145 1.00 0.49 H new ATOM 0 HG22 ILE A 56 0.360 -9.027 -4.160 1.00 0.49 H new ATOM 0 HG23 ILE A 56 1.762 -8.050 -4.658 1.00 0.49 H new ATOM 0 HD11 ILE A 56 2.718 -5.785 -0.673 1.00 0.55 H new ATOM 0 HD12 ILE A 56 0.974 -6.104 -0.515 1.00 0.55 H new ATOM 0 HD13 ILE A 56 2.112 -7.458 -0.709 1.00 0.55 H new ATOM 825 N LYS A 57 1.165 -4.682 -4.886 1.00 0.34 N ATOM 826 CA LYS A 57 2.020 -4.046 -5.880 1.00 0.36 C ATOM 827 C LYS A 57 3.348 -3.652 -5.243 1.00 0.33 C ATOM 828 O LYS A 57 3.378 -2.910 -4.261 1.00 0.53 O ATOM 829 CB LYS A 57 1.339 -2.814 -6.472 1.00 0.40 C ATOM 830 CG LYS A 57 -0.014 -3.109 -7.102 1.00 1.32 C ATOM 831 CD LYS A 57 -0.717 -1.834 -7.544 1.00 1.62 C ATOM 832 CE LYS A 57 -1.218 -1.031 -6.355 1.00 2.06 C ATOM 833 NZ LYS A 57 -1.934 0.204 -6.777 1.00 2.48 N ATOM 0 H LYS A 57 1.098 -4.170 -4.006 1.00 0.34 H new ATOM 0 HA LYS A 57 2.203 -4.757 -6.686 1.00 0.36 H new ATOM 0 HB2 LYS A 57 1.210 -2.068 -5.687 1.00 0.40 H new ATOM 0 HB3 LYS A 57 1.993 -2.375 -7.225 1.00 0.40 H new ATOM 0 HG2 LYS A 57 0.120 -3.768 -7.960 1.00 1.32 H new ATOM 0 HG3 LYS A 57 -0.641 -3.641 -6.386 1.00 1.32 H new ATOM 0 HD2 LYS A 57 -0.031 -1.225 -8.132 1.00 1.62 H new ATOM 0 HD3 LYS A 57 -1.556 -2.086 -8.193 1.00 1.62 H new ATOM 0 HE2 LYS A 57 -1.885 -1.650 -5.755 1.00 2.06 H new ATOM 0 HE3 LYS A 57 -0.375 -0.762 -5.719 1.00 2.06 H new ATOM 0 HZ1 LYS A 57 -1.628 1.002 -6.185 1.00 2.48 H new ATOM 0 HZ2 LYS A 57 -1.717 0.408 -7.773 1.00 2.48 H new ATOM 0 HZ3 LYS A 57 -2.959 0.066 -6.668 1.00 2.48 H new ATOM 847 N CYS A 58 4.440 -4.148 -5.806 1.00 0.23 N ATOM 848 CA CYS A 58 5.771 -3.866 -5.275 1.00 0.21 C ATOM 849 C CYS A 58 6.557 -2.945 -6.202 1.00 0.17 C ATOM 850 O CYS A 58 6.554 -3.119 -7.421 1.00 0.29 O ATOM 851 CB CYS A 58 6.533 -5.174 -5.047 1.00 0.31 C ATOM 852 SG CYS A 58 5.542 -6.455 -4.210 1.00 1.04 S ATOM 0 H CYS A 58 4.433 -4.748 -6.631 1.00 0.23 H new ATOM 0 HA CYS A 58 5.653 -3.352 -4.321 1.00 0.21 H new ATOM 0 HB2 CYS A 58 6.874 -5.559 -6.008 1.00 0.31 H new ATOM 0 HB3 CYS A 58 7.423 -4.968 -4.453 1.00 0.31 H new ATOM 857 N CYS A 59 7.227 -1.961 -5.607 1.00 0.20 N ATOM 858 CA CYS A 59 8.021 -1.002 -6.367 1.00 0.22 C ATOM 859 C CYS A 59 9.279 -0.612 -5.600 1.00 0.18 C ATOM 860 O CYS A 59 9.358 -0.797 -4.388 1.00 0.30 O ATOM 861 CB CYS A 59 7.201 0.251 -6.668 1.00 0.38 C ATOM 862 SG CYS A 59 5.632 -0.062 -7.540 1.00 0.68 S ATOM 0 H CYS A 59 7.235 -1.808 -4.599 1.00 0.20 H new ATOM 0 HA CYS A 59 8.311 -1.477 -7.304 1.00 0.22 H new ATOM 0 HB2 CYS A 59 6.985 0.762 -5.730 1.00 0.38 H new ATOM 0 HB3 CYS A 59 7.806 0.930 -7.269 1.00 0.38 H new ATOM 867 N SER A 60 10.255 -0.059 -6.312 1.00 0.20 N ATOM 868 CA SER A 60 11.510 0.354 -5.694 1.00 0.21 C ATOM 869 C SER A 60 11.538 1.862 -5.446 1.00 0.16 C ATOM 870 O SER A 60 12.609 2.465 -5.364 1.00 0.22 O ATOM 871 CB SER A 60 12.690 -0.055 -6.578 1.00 0.31 C ATOM 872 OG SER A 60 12.570 0.494 -7.879 1.00 1.22 O ATOM 0 H SER A 60 10.202 0.113 -7.316 1.00 0.20 H new ATOM 0 HA SER A 60 11.591 -0.147 -4.730 1.00 0.21 H new ATOM 0 HB2 SER A 60 13.622 0.281 -6.123 1.00 0.31 H new ATOM 0 HB3 SER A 60 12.740 -1.142 -6.642 1.00 0.31 H new ATOM 0 HG SER A 60 13.338 0.219 -8.422 1.00 1.22 H new ATOM 878 N THR A 61 10.357 2.464 -5.319 1.00 0.17 N ATOM 879 CA THR A 61 10.253 3.900 -5.074 1.00 0.18 C ATOM 880 C THR A 61 8.818 4.307 -4.750 1.00 0.15 C ATOM 881 O THR A 61 7.866 3.718 -5.263 1.00 0.15 O ATOM 882 CB THR A 61 10.743 4.717 -6.286 1.00 0.24 C ATOM 883 OG1 THR A 61 10.594 6.118 -6.027 1.00 1.25 O ATOM 884 CG2 THR A 61 9.968 4.344 -7.542 1.00 1.07 C ATOM 0 H THR A 61 9.461 1.981 -5.382 1.00 0.17 H new ATOM 0 HA THR A 61 10.890 4.116 -4.216 1.00 0.18 H new ATOM 0 HB THR A 61 11.796 4.487 -6.447 1.00 0.24 H new ATOM 0 HG1 THR A 61 10.909 6.629 -6.801 1.00 1.25 H new ATOM 0 HG21 THR A 61 10.332 4.934 -8.383 1.00 1.07 H new ATOM 0 HG22 THR A 61 10.108 3.284 -7.755 1.00 1.07 H new ATOM 0 HG23 THR A 61 8.908 4.546 -7.389 1.00 1.07 H new ATOM 892 N ASP A 62 8.671 5.313 -3.890 1.00 0.17 N ATOM 893 CA ASP A 62 7.358 5.806 -3.495 1.00 0.18 C ATOM 894 C ASP A 62 6.547 6.250 -4.707 1.00 0.17 C ATOM 895 O ASP A 62 5.330 6.080 -4.745 1.00 0.18 O ATOM 896 CB ASP A 62 7.500 6.973 -2.518 1.00 0.23 C ATOM 897 CG ASP A 62 8.237 8.149 -3.128 1.00 0.25 C ATOM 898 OD1 ASP A 62 9.483 8.175 -3.046 1.00 0.29 O ATOM 899 OD2 ASP A 62 7.569 9.044 -3.687 1.00 0.28 O ATOM 0 H ASP A 62 9.451 5.803 -3.453 1.00 0.17 H new ATOM 0 HA ASP A 62 6.830 4.987 -3.007 1.00 0.18 H new ATOM 0 HB2 ASP A 62 6.510 7.296 -2.195 1.00 0.23 H new ATOM 0 HB3 ASP A 62 8.032 6.636 -1.628 1.00 0.23 H new ATOM 904 N ASP A 63 7.230 6.815 -5.698 1.00 0.22 N ATOM 905 CA ASP A 63 6.568 7.287 -6.910 1.00 0.27 C ATOM 906 C ASP A 63 5.774 6.166 -7.572 1.00 0.25 C ATOM 907 O ASP A 63 4.958 6.409 -8.461 1.00 0.32 O ATOM 908 CB ASP A 63 7.598 7.851 -7.891 1.00 0.36 C ATOM 909 CG ASP A 63 6.957 8.425 -9.140 1.00 1.08 C ATOM 910 OD1 ASP A 63 6.569 9.612 -9.115 1.00 1.39 O ATOM 911 OD2 ASP A 63 6.844 7.689 -10.141 1.00 1.76 O ATOM 0 H ASP A 63 8.240 6.957 -5.686 1.00 0.22 H new ATOM 0 HA ASP A 63 5.873 8.078 -6.629 1.00 0.27 H new ATOM 0 HB2 ASP A 63 8.180 8.628 -7.395 1.00 0.36 H new ATOM 0 HB3 ASP A 63 8.295 7.062 -8.174 1.00 0.36 H new ATOM 916 N CYS A 64 6.018 4.938 -7.131 1.00 0.25 N ATOM 917 CA CYS A 64 5.330 3.777 -7.674 1.00 0.28 C ATOM 918 C CYS A 64 4.515 3.071 -6.592 1.00 0.25 C ATOM 919 O CYS A 64 3.750 2.152 -6.882 1.00 0.31 O ATOM 920 CB CYS A 64 6.344 2.813 -8.292 1.00 0.32 C ATOM 921 SG CYS A 64 5.612 1.317 -9.038 1.00 0.41 S ATOM 0 H CYS A 64 6.691 4.722 -6.395 1.00 0.25 H new ATOM 0 HA CYS A 64 4.641 4.114 -8.449 1.00 0.28 H new ATOM 0 HB2 CYS A 64 6.911 3.344 -9.056 1.00 0.32 H new ATOM 0 HB3 CYS A 64 7.053 2.509 -7.522 1.00 0.32 H new ATOM 926 N ASN A 65 4.672 3.511 -5.341 1.00 0.24 N ATOM 927 CA ASN A 65 3.936 2.909 -4.230 1.00 0.24 C ATOM 928 C ASN A 65 3.168 3.951 -3.405 1.00 0.25 C ATOM 929 O ASN A 65 3.535 4.241 -2.268 1.00 0.35 O ATOM 930 CB ASN A 65 4.875 2.112 -3.314 1.00 0.25 C ATOM 931 CG ASN A 65 4.172 1.646 -2.050 1.00 0.67 C ATOM 932 OD1 ASN A 65 3.446 0.655 -2.059 1.00 1.59 O ATOM 933 ND2 ASN A 65 4.404 2.356 -0.949 1.00 0.46 N ATOM 0 H ASN A 65 5.295 4.273 -5.075 1.00 0.24 H new ATOM 0 HA ASN A 65 3.207 2.231 -4.674 1.00 0.24 H new ATOM 0 HB2 ASN A 65 5.262 1.248 -3.854 1.00 0.25 H new ATOM 0 HB3 ASN A 65 5.732 2.730 -3.046 1.00 0.25 H new ATOM 0 HD21 ASN A 65 3.972 2.084 -0.066 1.00 0.46 H new ATOM 0 HD22 ASN A 65 5.014 3.172 -0.988 1.00 0.46 H new ATOM 940 N PRO A 66 2.125 4.569 -3.993 1.00 0.25 N ATOM 941 CA PRO A 66 1.264 5.528 -3.336 1.00 0.29 C ATOM 942 C PRO A 66 -0.085 4.904 -2.972 1.00 0.31 C ATOM 943 O PRO A 66 -0.186 3.690 -2.797 1.00 0.64 O ATOM 944 CB PRO A 66 1.090 6.588 -4.436 1.00 0.34 C ATOM 945 CG PRO A 66 1.437 5.909 -5.718 1.00 0.46 C ATOM 946 CD PRO A 66 1.719 4.474 -5.380 1.00 0.30 C ATOM 0 HA PRO A 66 1.666 5.912 -2.398 1.00 0.29 H new ATOM 0 HB2 PRO A 66 0.067 6.964 -4.458 1.00 0.34 H new ATOM 0 HB3 PRO A 66 1.741 7.444 -4.259 1.00 0.34 H new ATOM 0 HG2 PRO A 66 0.616 5.985 -6.431 1.00 0.46 H new ATOM 0 HG3 PRO A 66 2.306 6.376 -6.181 1.00 0.46 H new ATOM 0 HD2 PRO A 66 0.838 3.844 -5.506 1.00 0.30 H new ATOM 0 HD3 PRO A 66 2.504 4.053 -6.008 1.00 0.30 H new ATOM 954 N HIS A 67 -1.111 5.738 -2.862 1.00 0.26 N ATOM 955 CA HIS A 67 -2.453 5.270 -2.540 1.00 0.30 C ATOM 956 C HIS A 67 -3.363 5.363 -3.770 1.00 0.39 C ATOM 957 O HIS A 67 -3.532 6.444 -4.334 1.00 0.56 O ATOM 958 CB HIS A 67 -3.042 6.099 -1.400 1.00 0.39 C ATOM 959 CG HIS A 67 -3.934 5.314 -0.491 1.00 0.44 C ATOM 960 ND1 HIS A 67 -5.296 5.510 -0.414 1.00 0.59 N ATOM 961 CD2 HIS A 67 -3.648 4.328 0.388 1.00 0.46 C ATOM 962 CE1 HIS A 67 -5.810 4.677 0.474 1.00 0.64 C ATOM 963 NE2 HIS A 67 -4.829 3.948 0.974 1.00 0.56 N ATOM 0 H HIS A 67 -1.039 6.747 -2.992 1.00 0.26 H new ATOM 0 HA HIS A 67 -2.387 4.228 -2.228 1.00 0.30 H new ATOM 0 HB2 HIS A 67 -2.228 6.529 -0.816 1.00 0.39 H new ATOM 0 HB3 HIS A 67 -3.607 6.931 -1.820 1.00 0.39 H new ATOM 0 HD2 HIS A 67 -2.671 3.916 0.591 1.00 0.46 H new ATOM 0 HE1 HIS A 67 -6.853 4.605 0.744 1.00 0.64 H new ATOM 0 HE2 HIS A 67 -4.932 3.220 1.681 1.00 0.56 H new ATOM 972 N PRO A 68 -3.959 4.234 -4.203 1.00 0.43 N ATOM 973 CA PRO A 68 -4.850 4.201 -5.374 1.00 0.57 C ATOM 974 C PRO A 68 -6.011 5.189 -5.271 1.00 0.75 C ATOM 975 O PRO A 68 -6.664 5.492 -6.270 1.00 0.94 O ATOM 976 CB PRO A 68 -5.369 2.761 -5.371 1.00 0.71 C ATOM 977 CG PRO A 68 -4.294 1.992 -4.696 1.00 0.86 C ATOM 978 CD PRO A 68 -3.815 2.895 -3.602 1.00 0.53 C ATOM 0 HA PRO A 68 -4.329 4.488 -6.287 1.00 0.57 H new ATOM 0 HB2 PRO A 68 -6.315 2.679 -4.835 1.00 0.71 H new ATOM 0 HB3 PRO A 68 -5.544 2.398 -6.384 1.00 0.71 H new ATOM 0 HG2 PRO A 68 -4.671 1.050 -4.297 1.00 0.86 H new ATOM 0 HG3 PRO A 68 -3.489 1.745 -5.388 1.00 0.86 H new ATOM 0 HD2 PRO A 68 -4.415 2.790 -2.698 1.00 0.53 H new ATOM 0 HD3 PRO A 68 -2.782 2.684 -3.325 1.00 0.53 H new ATOM 986 N LYS A 69 -6.269 5.680 -4.060 1.00 0.84 N ATOM 987 CA LYS A 69 -7.354 6.633 -3.832 1.00 1.10 C ATOM 988 C LYS A 69 -7.299 7.778 -4.840 1.00 1.38 C ATOM 989 O LYS A 69 -6.221 8.265 -5.184 1.00 2.19 O ATOM 990 CB LYS A 69 -7.281 7.193 -2.409 1.00 1.36 C ATOM 991 CG LYS A 69 -8.383 8.191 -2.086 1.00 1.66 C ATOM 992 CD LYS A 69 -9.751 7.526 -2.052 1.00 2.44 C ATOM 993 CE LYS A 69 -10.857 8.541 -1.810 1.00 2.83 C ATOM 994 NZ LYS A 69 -10.657 9.286 -0.537 1.00 3.36 N ATOM 0 H LYS A 69 -5.742 5.434 -3.222 1.00 0.84 H new ATOM 0 HA LYS A 69 -8.298 6.103 -3.961 1.00 1.10 H new ATOM 0 HB2 LYS A 69 -7.332 6.367 -1.700 1.00 1.36 H new ATOM 0 HB3 LYS A 69 -6.314 7.675 -2.267 1.00 1.36 H new ATOM 0 HG2 LYS A 69 -8.181 8.657 -1.122 1.00 1.66 H new ATOM 0 HG3 LYS A 69 -8.383 8.987 -2.831 1.00 1.66 H new ATOM 0 HD2 LYS A 69 -9.929 7.010 -2.995 1.00 2.44 H new ATOM 0 HD3 LYS A 69 -9.770 6.771 -1.266 1.00 2.44 H new ATOM 0 HE2 LYS A 69 -10.892 9.245 -2.641 1.00 2.83 H new ATOM 0 HE3 LYS A 69 -11.820 8.030 -1.784 1.00 2.83 H new ATOM 0 HZ1 LYS A 69 -11.516 9.829 -0.314 1.00 3.36 H new ATOM 0 HZ2 LYS A 69 -10.463 8.613 0.232 1.00 3.36 H new ATOM 0 HZ3 LYS A 69 -9.852 9.937 -0.639 1.00 3.36 H new ATOM 1008 N GLN A 70 -8.467 8.202 -5.311 1.00 1.57 N ATOM 1009 CA GLN A 70 -8.555 9.285 -6.282 1.00 2.17 C ATOM 1010 C GLN A 70 -8.642 10.640 -5.586 1.00 2.55 C ATOM 1011 O GLN A 70 -9.653 10.965 -4.961 1.00 3.19 O ATOM 1012 CB GLN A 70 -9.769 9.085 -7.189 1.00 2.94 C ATOM 1013 CG GLN A 70 -9.712 7.809 -8.010 1.00 3.68 C ATOM 1014 CD GLN A 70 -10.949 7.607 -8.862 1.00 4.63 C ATOM 1015 OE1 GLN A 70 -11.009 8.054 -10.008 1.00 5.09 O ATOM 1016 NE2 GLN A 70 -11.947 6.928 -8.306 1.00 5.32 N ATOM 0 H GLN A 70 -9.367 7.811 -5.035 1.00 1.57 H new ATOM 0 HA GLN A 70 -7.649 9.269 -6.888 1.00 2.17 H new ATOM 0 HB2 GLN A 70 -10.671 9.073 -6.577 1.00 2.94 H new ATOM 0 HB3 GLN A 70 -9.852 9.937 -7.863 1.00 2.94 H new ATOM 0 HG2 GLN A 70 -8.833 7.835 -8.654 1.00 3.68 H new ATOM 0 HG3 GLN A 70 -9.593 6.956 -7.341 1.00 3.68 H new ATOM 0 HE21 GLN A 70 -11.855 6.575 -7.353 1.00 5.32 H new ATOM 0 HE22 GLN A 70 -12.805 6.760 -8.832 1.00 5.32 H new ATOM 1025 N LYS A 71 -7.576 11.426 -5.699 1.00 2.93 N ATOM 1026 CA LYS A 71 -7.529 12.747 -5.083 1.00 3.85 C ATOM 1027 C LYS A 71 -7.484 13.842 -6.145 1.00 4.58 C ATOM 1028 O LYS A 71 -7.592 13.564 -7.340 1.00 4.73 O ATOM 1029 CB LYS A 71 -6.310 12.858 -4.165 1.00 4.52 C ATOM 1030 CG LYS A 71 -6.320 11.859 -3.020 1.00 4.94 C ATOM 1031 CD LYS A 71 -5.062 11.970 -2.176 1.00 5.74 C ATOM 1032 CE LYS A 71 -5.106 11.028 -0.985 1.00 6.70 C ATOM 1033 NZ LYS A 71 -6.295 11.278 -0.124 1.00 7.04 N ATOM 0 H LYS A 71 -6.732 11.170 -6.212 1.00 2.93 H new ATOM 0 HA LYS A 71 -8.435 12.879 -4.492 1.00 3.85 H new ATOM 0 HB2 LYS A 71 -5.406 12.712 -4.756 1.00 4.52 H new ATOM 0 HB3 LYS A 71 -6.264 13.867 -3.756 1.00 4.52 H new ATOM 0 HG2 LYS A 71 -7.196 12.030 -2.394 1.00 4.94 H new ATOM 0 HG3 LYS A 71 -6.405 10.848 -3.418 1.00 4.94 H new ATOM 0 HD2 LYS A 71 -4.190 11.743 -2.789 1.00 5.74 H new ATOM 0 HD3 LYS A 71 -4.947 12.996 -1.826 1.00 5.74 H new ATOM 0 HE2 LYS A 71 -5.124 9.997 -1.338 1.00 6.70 H new ATOM 0 HE3 LYS A 71 -4.198 11.147 -0.394 1.00 6.70 H new ATOM 0 HZ1 LYS A 71 -6.143 10.849 0.811 1.00 7.04 H new ATOM 0 HZ2 LYS A 71 -6.436 12.303 -0.016 1.00 7.04 H new ATOM 0 HZ3 LYS A 71 -7.138 10.857 -0.565 1.00 7.04 H new ATOM 1047 N ARG A 72 -7.330 15.085 -5.699 1.00 5.45 N ATOM 1048 CA ARG A 72 -7.270 16.227 -6.606 1.00 6.44 C ATOM 1049 C ARG A 72 -6.196 16.020 -7.676 1.00 7.13 C ATOM 1050 O ARG A 72 -5.017 15.866 -7.354 1.00 7.26 O ATOM 1051 CB ARG A 72 -6.981 17.508 -5.821 1.00 7.19 C ATOM 1052 CG ARG A 72 -8.062 17.861 -4.814 1.00 7.48 C ATOM 1053 CD ARG A 72 -7.703 19.110 -4.027 1.00 8.35 C ATOM 1054 NE ARG A 72 -6.487 18.928 -3.237 1.00 8.63 N ATOM 1055 CZ ARG A 72 -5.997 19.847 -2.411 1.00 9.54 C ATOM 1056 NH1 ARG A 72 -6.610 21.015 -2.274 1.00 10.19 N ATOM 1057 NH2 ARG A 72 -4.890 19.599 -1.724 1.00 9.98 N ATOM 0 H ARG A 72 -7.244 15.328 -4.712 1.00 5.45 H new ATOM 0 HA ARG A 72 -8.237 16.318 -7.101 1.00 6.44 H new ATOM 0 HB2 ARG A 72 -6.031 17.397 -5.298 1.00 7.19 H new ATOM 0 HB3 ARG A 72 -6.865 18.335 -6.521 1.00 7.19 H new ATOM 0 HG2 ARG A 72 -9.008 18.016 -5.333 1.00 7.48 H new ATOM 0 HG3 ARG A 72 -8.208 17.027 -4.128 1.00 7.48 H new ATOM 0 HD2 ARG A 72 -7.567 19.945 -4.714 1.00 8.35 H new ATOM 0 HD3 ARG A 72 -8.529 19.372 -3.366 1.00 8.35 H new ATOM 0 HE ARG A 72 -5.985 18.044 -3.325 1.00 8.63 H new ATOM 0 HH11 ARG A 72 -7.460 21.210 -2.803 1.00 10.19 H new ATOM 0 HH12 ARG A 72 -6.232 21.718 -1.639 1.00 10.19 H new ATOM 0 HH21 ARG A 72 -4.414 18.703 -1.829 1.00 9.98 H new ATOM 0 HH22 ARG A 72 -4.514 20.304 -1.090 1.00 9.98 H new ATOM 1071 N PRO A 73 -6.584 16.014 -8.969 1.00 7.88 N ATOM 1072 CA PRO A 73 -5.637 15.822 -10.073 1.00 8.80 C ATOM 1073 C PRO A 73 -4.713 17.023 -10.259 1.00 9.54 C ATOM 1074 O PRO A 73 -5.088 17.948 -11.011 1.00 9.91 O ATOM 1075 CB PRO A 73 -6.545 15.647 -11.293 1.00 9.55 C ATOM 1076 CG PRO A 73 -7.794 16.374 -10.940 1.00 9.27 C ATOM 1077 CD PRO A 73 -7.967 16.195 -9.456 1.00 8.18 C ATOM 1078 OXT PRO A 73 -3.624 17.029 -9.649 1.00 9.93 O ATOM 0 HA PRO A 73 -4.971 14.977 -9.898 1.00 8.80 H new ATOM 0 HB2 PRO A 73 -6.086 16.061 -12.191 1.00 9.55 H new ATOM 0 HB3 PRO A 73 -6.742 14.594 -11.492 1.00 9.55 H new ATOM 0 HG2 PRO A 73 -7.719 17.430 -11.200 1.00 9.27 H new ATOM 0 HG3 PRO A 73 -8.648 15.971 -11.485 1.00 9.27 H new ATOM 0 HD2 PRO A 73 -8.443 17.063 -9.000 1.00 8.18 H new ATOM 0 HD3 PRO A 73 -8.590 15.331 -9.226 1.00 8.18 H new TER 1086 PRO A 73