USER MOD reduce.3.24.130724 H: found=0, std=0, add=536, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 537 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 17 THR OG1 : rot -127:sc= 0.535 USER MOD Set 1.2: A 57 MET CE :methyl 146:sc= -0.4 (180deg=-0.84) USER MOD Set 2.1: A 13 LYS NZ :NH3+ -123:sc= 0.0344 (180deg=0) USER MOD Set 2.2: A 34 TYR OH : rot 35:sc= 0.338 USER MOD Single : A 3 LYS NZ :NH3+ 148:sc= 0.58 (180deg=-2.19!) USER MOD Single : A 5 LYS NZ :NH3+ -140:sc= 0.0938 (180deg=-0.118!) USER MOD Single : A 7 LYS NZ :NH3+ 164:sc= -0.0274 (180deg=-0.296) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ -131:sc= 0.894 (180deg=0.424) USER MOD Single : A 18 SER OG : rot 180:sc= 0.00864 USER MOD Single : A 19 LYS NZ :NH3+ 172:sc= -0.013 (180deg=-0.14) USER MOD Single : A 21 LYS NZ :NH3+ -170:sc= -0.0117 (180deg=-0.124) USER MOD Single : A 22 LYS NZ :NH3+ 168:sc= 1.25 (180deg=1.15) USER MOD Single : A 28 LYS NZ :NH3+ 169:sc= -0.0166 (180deg=-0.149) USER MOD Single : A 29 MET CE :methyl 136:sc= -0.339 (180deg=-0.752) USER MOD Single : A 31 SER OG : rot 41:sc= 0.305 USER MOD Single : A 33 THR OG1 : rot -48:sc= 1.34 USER MOD Single : A 37 ASN : amide:sc= -0.255 X(o=-0.26,f=-0.04) USER MOD Single : A 39 LYS NZ :NH3+ -160:sc= 1.28 (180deg=0.953) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.00563 USER MOD Single : A 46 SER OG : rot 180:sc= -0.268 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 1.18 (180deg=1.18) USER MOD ----------------------------------------------------------------- ATOM 36 N LYS A 3 -3.997 -6.045 -3.931 1.00 1.32 N ATOM 37 CA LYS A 3 -4.581 -6.536 -2.686 1.00 1.00 C ATOM 38 C LYS A 3 -3.737 -6.098 -1.499 1.00 1.03 C ATOM 39 O LYS A 3 -2.525 -5.930 -1.621 1.00 1.56 O ATOM 40 CB LYS A 3 -4.682 -8.066 -2.699 1.00 1.17 C ATOM 41 CG LYS A 3 -5.586 -8.615 -3.791 1.00 1.44 C ATOM 42 CD LYS A 3 -7.048 -8.234 -3.580 1.00 1.73 C ATOM 43 CE LYS A 3 -7.739 -9.099 -2.526 1.00 2.34 C ATOM 44 NZ LYS A 3 -7.288 -8.790 -1.140 1.00 3.09 N ATOM 0 HA LYS A 3 -5.582 -6.115 -2.595 1.00 1.00 H new ATOM 0 HB2 LYS A 3 -3.683 -8.485 -2.823 1.00 1.17 H new ATOM 0 HB3 LYS A 3 -5.052 -8.404 -1.731 1.00 1.17 H new ATOM 0 HG2 LYS A 3 -5.252 -8.241 -4.758 1.00 1.44 H new ATOM 0 HG3 LYS A 3 -5.497 -9.701 -3.821 1.00 1.44 H new ATOM 0 HD2 LYS A 3 -7.106 -7.188 -3.280 1.00 1.73 H new ATOM 0 HD3 LYS A 3 -7.583 -8.325 -4.526 1.00 1.73 H new ATOM 0 HE2 LYS A 3 -8.817 -8.954 -2.593 1.00 2.34 H new ATOM 0 HE3 LYS A 3 -7.545 -10.150 -2.741 1.00 2.34 H new ATOM 0 HZ1 LYS A 3 -8.073 -8.946 -0.476 1.00 3.09 H new ATOM 0 HZ2 LYS A 3 -6.493 -9.411 -0.887 1.00 3.09 H new ATOM 0 HZ3 LYS A 3 -6.983 -7.797 -1.088 1.00 3.09 H new ATOM 58 N VAL A 4 -4.376 -5.911 -0.357 1.00 0.84 N ATOM 59 CA VAL A 4 -3.665 -5.501 0.843 1.00 0.90 C ATOM 60 C VAL A 4 -3.548 -6.648 1.842 1.00 0.82 C ATOM 61 O VAL A 4 -4.519 -7.020 2.498 1.00 0.85 O ATOM 62 CB VAL A 4 -4.352 -4.300 1.519 1.00 1.06 C ATOM 63 CG1 VAL A 4 -3.551 -3.822 2.724 1.00 1.46 C ATOM 64 CG2 VAL A 4 -4.541 -3.172 0.523 1.00 1.31 C ATOM 0 H VAL A 4 -5.381 -6.036 -0.235 1.00 0.84 H new ATOM 0 HA VAL A 4 -2.664 -5.205 0.530 1.00 0.90 H new ATOM 0 HB VAL A 4 -5.332 -4.621 1.872 1.00 1.06 H new ATOM 0 HG11 VAL A 4 -4.057 -2.973 3.184 1.00 1.46 H new ATOM 0 HG12 VAL A 4 -3.467 -4.631 3.450 1.00 1.46 H new ATOM 0 HG13 VAL A 4 -2.555 -3.519 2.402 1.00 1.46 H new ATOM 0 HG21 VAL A 4 -5.028 -2.330 1.015 1.00 1.31 H new ATOM 0 HG22 VAL A 4 -3.570 -2.857 0.141 1.00 1.31 H new ATOM 0 HG23 VAL A 4 -5.161 -3.517 -0.304 1.00 1.31 H new ATOM 74 N LYS A 5 -2.351 -7.204 1.936 1.00 0.79 N ATOM 75 CA LYS A 5 -2.046 -8.236 2.914 1.00 0.77 C ATOM 76 C LYS A 5 -1.220 -7.620 4.033 1.00 0.78 C ATOM 77 O LYS A 5 -0.165 -7.042 3.777 1.00 1.45 O ATOM 78 CB LYS A 5 -1.263 -9.382 2.263 1.00 0.93 C ATOM 79 CG LYS A 5 -2.036 -10.146 1.197 1.00 1.38 C ATOM 80 CD LYS A 5 -1.154 -11.178 0.509 1.00 1.91 C ATOM 81 CE LYS A 5 -1.934 -12.008 -0.503 1.00 2.43 C ATOM 82 NZ LYS A 5 -2.893 -12.940 0.147 1.00 2.70 N ATOM 0 H LYS A 5 -1.564 -6.953 1.337 1.00 0.79 H new ATOM 0 HA LYS A 5 -2.976 -8.641 3.313 1.00 0.77 H new ATOM 0 HB2 LYS A 5 -0.355 -8.977 1.816 1.00 0.93 H new ATOM 0 HB3 LYS A 5 -0.952 -10.081 3.040 1.00 0.93 H new ATOM 0 HG2 LYS A 5 -2.893 -10.642 1.652 1.00 1.38 H new ATOM 0 HG3 LYS A 5 -2.427 -9.447 0.457 1.00 1.38 H new ATOM 0 HD2 LYS A 5 -0.329 -10.673 0.006 1.00 1.91 H new ATOM 0 HD3 LYS A 5 -0.715 -11.837 1.258 1.00 1.91 H new ATOM 0 HE2 LYS A 5 -2.477 -11.342 -1.174 1.00 2.43 H new ATOM 0 HE3 LYS A 5 -1.236 -12.578 -1.116 1.00 2.43 H new ATOM 0 HZ1 LYS A 5 -2.887 -13.851 -0.355 1.00 2.70 H new ATOM 0 HZ2 LYS A 5 -2.615 -13.089 1.138 1.00 2.70 H new ATOM 0 HZ3 LYS A 5 -3.849 -12.533 0.114 1.00 2.70 H new ATOM 96 N PHE A 6 -1.694 -7.729 5.264 1.00 0.58 N ATOM 97 CA PHE A 6 -1.022 -7.086 6.382 1.00 0.57 C ATOM 98 C PHE A 6 -1.211 -7.885 7.663 1.00 0.58 C ATOM 99 O PHE A 6 -2.137 -8.693 7.777 1.00 0.85 O ATOM 100 CB PHE A 6 -1.551 -5.658 6.566 1.00 0.59 C ATOM 101 CG PHE A 6 -2.970 -5.580 7.058 1.00 0.58 C ATOM 102 CD1 PHE A 6 -4.037 -5.788 6.198 1.00 0.60 C ATOM 103 CD2 PHE A 6 -3.233 -5.287 8.386 1.00 0.65 C ATOM 104 CE1 PHE A 6 -5.335 -5.709 6.654 1.00 0.65 C ATOM 105 CE2 PHE A 6 -4.530 -5.209 8.847 1.00 0.70 C ATOM 106 CZ PHE A 6 -5.583 -5.419 7.979 1.00 0.67 C ATOM 0 H PHE A 6 -2.534 -8.252 5.513 1.00 0.58 H new ATOM 0 HA PHE A 6 0.045 -7.044 6.161 1.00 0.57 H new ATOM 0 HB2 PHE A 6 -0.906 -5.132 7.270 1.00 0.59 H new ATOM 0 HB3 PHE A 6 -1.480 -5.132 5.614 1.00 0.59 H new ATOM 0 HD1 PHE A 6 -3.849 -6.015 5.159 1.00 0.60 H new ATOM 0 HD2 PHE A 6 -2.413 -5.118 9.068 1.00 0.65 H new ATOM 0 HE1 PHE A 6 -6.158 -5.874 5.974 1.00 0.65 H new ATOM 0 HE2 PHE A 6 -4.722 -4.984 9.886 1.00 0.70 H new ATOM 0 HZ PHE A 6 -6.600 -5.356 8.337 1.00 0.67 H new ATOM 116 N LYS A 7 -0.325 -7.661 8.620 1.00 0.53 N ATOM 117 CA LYS A 7 -0.384 -8.353 9.894 1.00 0.57 C ATOM 118 C LYS A 7 -1.085 -7.496 10.946 1.00 0.59 C ATOM 119 O LYS A 7 -0.777 -6.314 11.118 1.00 0.63 O ATOM 120 CB LYS A 7 1.026 -8.733 10.357 1.00 0.70 C ATOM 121 CG LYS A 7 1.979 -7.555 10.449 1.00 1.34 C ATOM 122 CD LYS A 7 3.369 -7.984 10.887 1.00 1.71 C ATOM 123 CE LYS A 7 4.291 -6.785 11.053 1.00 2.66 C ATOM 124 NZ LYS A 7 3.819 -5.865 12.122 1.00 3.64 N ATOM 0 H LYS A 7 0.448 -7.001 8.536 1.00 0.53 H new ATOM 0 HA LYS A 7 -0.964 -9.266 9.763 1.00 0.57 H new ATOM 0 HB2 LYS A 7 0.961 -9.213 11.334 1.00 0.70 H new ATOM 0 HB3 LYS A 7 1.439 -9.469 9.667 1.00 0.70 H new ATOM 0 HG2 LYS A 7 2.040 -7.061 9.479 1.00 1.34 H new ATOM 0 HG3 LYS A 7 1.585 -6.824 11.155 1.00 1.34 H new ATOM 0 HD2 LYS A 7 3.304 -8.529 11.829 1.00 1.71 H new ATOM 0 HD3 LYS A 7 3.789 -8.669 10.151 1.00 1.71 H new ATOM 0 HE2 LYS A 7 5.297 -7.131 11.290 1.00 2.66 H new ATOM 0 HE3 LYS A 7 4.355 -6.243 10.110 1.00 2.66 H new ATOM 0 HZ1 LYS A 7 4.590 -5.221 12.392 1.00 3.64 H new ATOM 0 HZ2 LYS A 7 3.012 -5.311 11.771 1.00 3.64 H new ATOM 0 HZ3 LYS A 7 3.524 -6.419 12.951 1.00 3.64 H new ATOM 138 N TYR A 8 -2.035 -8.104 11.631 1.00 0.61 N ATOM 139 CA TYR A 8 -2.777 -7.454 12.697 1.00 0.67 C ATOM 140 C TYR A 8 -2.972 -8.458 13.822 1.00 0.85 C ATOM 141 O TYR A 8 -3.386 -9.587 13.566 1.00 0.86 O ATOM 142 CB TYR A 8 -4.129 -6.960 12.174 1.00 0.63 C ATOM 143 CG TYR A 8 -4.918 -6.126 13.163 1.00 0.71 C ATOM 144 CD1 TYR A 8 -4.620 -4.784 13.353 1.00 0.88 C ATOM 145 CD2 TYR A 8 -5.969 -6.674 13.889 1.00 0.82 C ATOM 146 CE1 TYR A 8 -5.346 -4.010 14.240 1.00 1.03 C ATOM 147 CE2 TYR A 8 -6.703 -5.905 14.776 1.00 0.97 C ATOM 148 CZ TYR A 8 -6.388 -4.573 14.948 1.00 1.03 C ATOM 149 OH TYR A 8 -7.116 -3.800 15.832 1.00 1.23 O ATOM 0 H TYR A 8 -2.316 -9.070 11.463 1.00 0.61 H new ATOM 0 HA TYR A 8 -2.226 -6.589 13.067 1.00 0.67 H new ATOM 0 HB2 TYR A 8 -3.962 -6.371 11.272 1.00 0.63 H new ATOM 0 HB3 TYR A 8 -4.730 -7.822 11.885 1.00 0.63 H new ATOM 0 HD1 TYR A 8 -3.808 -4.337 12.799 1.00 0.88 H new ATOM 0 HD2 TYR A 8 -6.217 -7.717 13.759 1.00 0.82 H new ATOM 0 HE1 TYR A 8 -5.098 -2.968 14.378 1.00 1.03 H new ATOM 0 HE2 TYR A 8 -7.518 -6.346 15.331 1.00 0.97 H new ATOM 0 HH TYR A 8 -7.814 -4.348 16.248 1.00 1.23 H new ATOM 159 N LYS A 9 -2.642 -8.052 15.046 1.00 1.11 N ATOM 160 CA LYS A 9 -2.662 -8.937 16.211 1.00 1.36 C ATOM 161 C LYS A 9 -1.932 -10.254 15.913 1.00 1.30 C ATOM 162 O LYS A 9 -2.420 -11.357 16.128 1.00 1.73 O ATOM 163 CB LYS A 9 -4.082 -9.104 16.787 1.00 1.70 C ATOM 164 CG LYS A 9 -5.080 -9.858 15.934 1.00 1.73 C ATOM 165 CD LYS A 9 -5.179 -11.280 16.415 1.00 2.19 C ATOM 166 CE LYS A 9 -5.775 -12.200 15.364 1.00 2.65 C ATOM 167 NZ LYS A 9 -5.810 -13.615 15.823 1.00 2.90 N ATOM 0 H LYS A 9 -2.352 -7.098 15.260 1.00 1.11 H new ATOM 0 HA LYS A 9 -2.098 -8.465 17.016 1.00 1.36 H new ATOM 0 HB2 LYS A 9 -4.001 -9.614 17.747 1.00 1.70 H new ATOM 0 HB3 LYS A 9 -4.487 -8.112 16.986 1.00 1.70 H new ATOM 0 HG2 LYS A 9 -6.056 -9.376 15.987 1.00 1.73 H new ATOM 0 HG3 LYS A 9 -4.770 -9.837 14.889 1.00 1.73 H new ATOM 0 HD2 LYS A 9 -4.187 -11.639 16.689 1.00 2.19 H new ATOM 0 HD3 LYS A 9 -5.791 -11.315 17.316 1.00 2.19 H new ATOM 0 HE2 LYS A 9 -6.786 -11.871 15.124 1.00 2.65 H new ATOM 0 HE3 LYS A 9 -5.191 -12.130 14.446 1.00 2.65 H new ATOM 0 HZ1 LYS A 9 -5.410 -14.229 15.085 1.00 2.90 H new ATOM 0 HZ2 LYS A 9 -5.250 -13.711 16.694 1.00 2.90 H new ATOM 0 HZ3 LYS A 9 -6.794 -13.895 16.011 1.00 2.90 H new ATOM 181 N GLY A 10 -0.703 -10.089 15.451 1.00 1.10 N ATOM 182 CA GLY A 10 0.156 -11.210 15.096 1.00 1.12 C ATOM 183 C GLY A 10 -0.376 -12.109 13.988 1.00 0.98 C ATOM 184 O GLY A 10 0.214 -13.151 13.709 1.00 1.11 O ATOM 0 H GLY A 10 -0.272 -9.175 15.311 1.00 1.10 H new ATOM 0 HA2 GLY A 10 1.127 -10.820 14.791 1.00 1.12 H new ATOM 0 HA3 GLY A 10 0.321 -11.817 15.986 1.00 1.12 H new ATOM 188 N GLU A 11 -1.469 -11.720 13.352 1.00 0.95 N ATOM 189 CA GLU A 11 -2.097 -12.568 12.348 1.00 1.20 C ATOM 190 C GLU A 11 -2.237 -11.836 11.017 1.00 1.00 C ATOM 191 O GLU A 11 -2.502 -10.635 10.983 1.00 1.38 O ATOM 192 CB GLU A 11 -3.466 -13.015 12.858 1.00 1.69 C ATOM 193 CG GLU A 11 -4.116 -14.105 12.028 1.00 2.37 C ATOM 194 CD GLU A 11 -5.439 -14.553 12.612 1.00 3.21 C ATOM 195 OE1 GLU A 11 -5.428 -15.316 13.600 1.00 3.81 O ATOM 196 OE2 GLU A 11 -6.494 -14.138 12.094 1.00 3.60 O ATOM 0 H GLU A 11 -1.939 -10.828 13.510 1.00 0.95 H new ATOM 0 HA GLU A 11 -1.466 -13.440 12.177 1.00 1.20 H new ATOM 0 HB2 GLU A 11 -3.361 -13.369 13.883 1.00 1.69 H new ATOM 0 HB3 GLU A 11 -4.130 -12.151 12.886 1.00 1.69 H new ATOM 0 HG2 GLU A 11 -4.273 -13.742 11.012 1.00 2.37 H new ATOM 0 HG3 GLU A 11 -3.442 -14.959 11.960 1.00 2.37 H new ATOM 203 N GLU A 12 -2.047 -12.560 9.926 1.00 0.98 N ATOM 204 CA GLU A 12 -2.166 -11.985 8.597 1.00 0.87 C ATOM 205 C GLU A 12 -3.619 -11.984 8.141 1.00 0.79 C ATOM 206 O GLU A 12 -4.265 -13.033 8.079 1.00 0.89 O ATOM 207 CB GLU A 12 -1.321 -12.768 7.587 1.00 1.13 C ATOM 208 CG GLU A 12 -1.409 -12.222 6.169 1.00 1.80 C ATOM 209 CD GLU A 12 -0.866 -13.183 5.130 1.00 2.11 C ATOM 210 OE1 GLU A 12 0.360 -13.159 4.879 1.00 2.43 O ATOM 211 OE2 GLU A 12 -1.656 -13.968 4.565 1.00 2.30 O ATOM 0 H GLU A 12 -1.809 -13.552 9.936 1.00 0.98 H new ATOM 0 HA GLU A 12 -1.803 -10.959 8.647 1.00 0.87 H new ATOM 0 HB2 GLU A 12 -0.280 -12.755 7.909 1.00 1.13 H new ATOM 0 HB3 GLU A 12 -1.642 -13.810 7.587 1.00 1.13 H new ATOM 0 HG2 GLU A 12 -2.449 -11.994 5.937 1.00 1.80 H new ATOM 0 HG3 GLU A 12 -0.857 -11.284 6.112 1.00 1.80 H new ATOM 218 N LYS A 13 -4.140 -10.803 7.857 1.00 0.71 N ATOM 219 CA LYS A 13 -5.451 -10.686 7.243 1.00 0.75 C ATOM 220 C LYS A 13 -5.397 -9.697 6.090 1.00 0.73 C ATOM 221 O LYS A 13 -4.367 -9.058 5.857 1.00 1.21 O ATOM 222 CB LYS A 13 -6.518 -10.276 8.264 1.00 0.96 C ATOM 223 CG LYS A 13 -6.320 -8.905 8.886 1.00 0.86 C ATOM 224 CD LYS A 13 -7.464 -8.588 9.832 1.00 1.44 C ATOM 225 CE LYS A 13 -7.346 -7.198 10.430 1.00 2.02 C ATOM 226 NZ LYS A 13 -8.472 -6.901 11.354 1.00 2.73 N ATOM 0 H LYS A 13 -3.676 -9.913 8.041 1.00 0.71 H new ATOM 0 HA LYS A 13 -5.734 -11.665 6.857 1.00 0.75 H new ATOM 0 HB2 LYS A 13 -7.493 -10.300 7.777 1.00 0.96 H new ATOM 0 HB3 LYS A 13 -6.541 -11.020 9.061 1.00 0.96 H new ATOM 0 HG2 LYS A 13 -5.373 -8.876 9.426 1.00 0.86 H new ATOM 0 HG3 LYS A 13 -6.265 -8.148 8.104 1.00 0.86 H new ATOM 0 HD2 LYS A 13 -8.410 -8.672 9.297 1.00 1.44 H new ATOM 0 HD3 LYS A 13 -7.485 -9.326 10.634 1.00 1.44 H new ATOM 0 HE2 LYS A 13 -6.402 -7.112 10.967 1.00 2.02 H new ATOM 0 HE3 LYS A 13 -7.326 -6.458 9.630 1.00 2.02 H new ATOM 0 HZ1 LYS A 13 -8.964 -6.041 11.037 1.00 2.73 H new ATOM 0 HZ2 LYS A 13 -9.138 -7.700 11.357 1.00 2.73 H new ATOM 0 HZ3 LYS A 13 -8.103 -6.754 12.315 1.00 2.73 H new ATOM 240 N GLU A 14 -6.499 -9.569 5.371 1.00 0.55 N ATOM 241 CA GLU A 14 -6.536 -8.728 4.190 1.00 0.54 C ATOM 242 C GLU A 14 -7.719 -7.781 4.224 1.00 0.65 C ATOM 243 O GLU A 14 -8.876 -8.205 4.256 1.00 0.88 O ATOM 244 CB GLU A 14 -6.590 -9.581 2.925 1.00 0.60 C ATOM 245 CG GLU A 14 -5.302 -10.337 2.665 1.00 1.38 C ATOM 246 CD GLU A 14 -5.361 -11.168 1.406 1.00 1.90 C ATOM 247 OE1 GLU A 14 -5.605 -10.602 0.319 1.00 2.38 O ATOM 248 OE2 GLU A 14 -5.138 -12.394 1.495 1.00 2.39 O ATOM 0 H GLU A 14 -7.379 -10.037 5.586 1.00 0.55 H new ATOM 0 HA GLU A 14 -5.622 -8.134 4.181 1.00 0.54 H new ATOM 0 HB2 GLU A 14 -7.412 -10.292 3.008 1.00 0.60 H new ATOM 0 HB3 GLU A 14 -6.808 -8.940 2.070 1.00 0.60 H new ATOM 0 HG2 GLU A 14 -4.478 -9.628 2.590 1.00 1.38 H new ATOM 0 HG3 GLU A 14 -5.088 -10.986 3.514 1.00 1.38 H new ATOM 255 N VAL A 15 -7.413 -6.498 4.219 1.00 0.68 N ATOM 256 CA VAL A 15 -8.414 -5.455 4.130 1.00 0.82 C ATOM 257 C VAL A 15 -7.986 -4.504 3.029 1.00 0.72 C ATOM 258 O VAL A 15 -7.018 -3.758 3.188 1.00 1.19 O ATOM 259 CB VAL A 15 -8.583 -4.680 5.461 1.00 1.20 C ATOM 260 CG1 VAL A 15 -9.587 -3.548 5.305 1.00 1.53 C ATOM 261 CG2 VAL A 15 -9.010 -5.615 6.585 1.00 2.11 C ATOM 0 H VAL A 15 -6.456 -6.149 4.277 1.00 0.68 H new ATOM 0 HA VAL A 15 -9.380 -5.910 3.913 1.00 0.82 H new ATOM 0 HB VAL A 15 -7.616 -4.250 5.721 1.00 1.20 H new ATOM 0 HG11 VAL A 15 -9.689 -3.019 6.252 1.00 1.53 H new ATOM 0 HG12 VAL A 15 -9.239 -2.856 4.538 1.00 1.53 H new ATOM 0 HG13 VAL A 15 -10.554 -3.957 5.012 1.00 1.53 H new ATOM 0 HG21 VAL A 15 -9.122 -5.047 7.508 1.00 2.11 H new ATOM 0 HG22 VAL A 15 -9.961 -6.081 6.329 1.00 2.11 H new ATOM 0 HG23 VAL A 15 -8.253 -6.387 6.723 1.00 2.11 H new ATOM 271 N ASP A 16 -8.685 -4.550 1.909 1.00 0.76 N ATOM 272 CA ASP A 16 -8.268 -3.802 0.736 1.00 0.98 C ATOM 273 C ASP A 16 -8.453 -2.309 0.969 1.00 0.91 C ATOM 274 O ASP A 16 -9.367 -1.885 1.680 1.00 1.57 O ATOM 275 CB ASP A 16 -9.035 -4.260 -0.510 1.00 1.33 C ATOM 276 CG ASP A 16 -8.783 -5.722 -0.847 1.00 1.87 C ATOM 277 OD1 ASP A 16 -7.597 -6.122 -0.927 1.00 2.64 O ATOM 278 OD2 ASP A 16 -9.762 -6.483 -1.025 1.00 2.08 O ATOM 0 H ASP A 16 -9.539 -5.094 1.787 1.00 0.76 H new ATOM 0 HA ASP A 16 -7.209 -3.996 0.564 1.00 0.98 H new ATOM 0 HB2 ASP A 16 -10.102 -4.106 -0.352 1.00 1.33 H new ATOM 0 HB3 ASP A 16 -8.746 -3.640 -1.359 1.00 1.33 H new ATOM 283 N THR A 17 -7.569 -1.522 0.370 1.00 0.98 N ATOM 284 CA THR A 17 -7.449 -0.098 0.673 1.00 0.92 C ATOM 285 C THR A 17 -8.639 0.753 0.219 1.00 0.85 C ATOM 286 O THR A 17 -8.526 1.972 0.129 1.00 1.17 O ATOM 287 CB THR A 17 -6.168 0.474 0.055 1.00 1.36 C ATOM 288 OG1 THR A 17 -5.960 -0.110 -1.240 1.00 1.66 O ATOM 289 CG2 THR A 17 -4.966 0.208 0.947 1.00 1.86 C ATOM 0 H THR A 17 -6.914 -1.851 -0.340 1.00 0.98 H new ATOM 0 HA THR A 17 -7.421 -0.043 1.761 1.00 0.92 H new ATOM 0 HB THR A 17 -6.281 1.554 -0.044 1.00 1.36 H new ATOM 0 HG1 THR A 17 -5.055 -0.482 -1.290 1.00 1.66 H new ATOM 0 HG21 THR A 17 -4.071 0.624 0.485 1.00 1.86 H new ATOM 0 HG22 THR A 17 -5.124 0.676 1.919 1.00 1.86 H new ATOM 0 HG23 THR A 17 -4.841 -0.867 1.078 1.00 1.86 H new ATOM 297 N SER A 18 -9.767 0.135 -0.082 1.00 0.73 N ATOM 298 CA SER A 18 -10.997 0.892 -0.228 1.00 0.86 C ATOM 299 C SER A 18 -11.405 1.483 1.121 1.00 0.82 C ATOM 300 O SER A 18 -12.012 2.551 1.188 1.00 1.13 O ATOM 301 CB SER A 18 -12.098 -0.010 -0.786 1.00 1.16 C ATOM 302 OG SER A 18 -12.120 -1.260 -0.115 1.00 1.81 O ATOM 0 H SER A 18 -9.857 -0.870 -0.228 1.00 0.73 H new ATOM 0 HA SER A 18 -10.839 1.712 -0.928 1.00 0.86 H new ATOM 0 HB2 SER A 18 -13.065 0.481 -0.679 1.00 1.16 H new ATOM 0 HB3 SER A 18 -11.938 -0.168 -1.852 1.00 1.16 H new ATOM 0 HG SER A 18 -12.833 -1.819 -0.488 1.00 1.81 H new ATOM 308 N LYS A 19 -11.044 0.792 2.194 1.00 0.68 N ATOM 309 CA LYS A 19 -11.250 1.294 3.542 1.00 0.75 C ATOM 310 C LYS A 19 -9.913 1.672 4.172 1.00 0.68 C ATOM 311 O LYS A 19 -9.522 1.114 5.187 1.00 1.06 O ATOM 312 CB LYS A 19 -11.955 0.244 4.399 1.00 0.99 C ATOM 313 CG LYS A 19 -13.392 -0.024 3.979 1.00 1.25 C ATOM 314 CD LYS A 19 -14.036 -1.076 4.866 1.00 1.92 C ATOM 315 CE LYS A 19 -15.508 -1.268 4.541 1.00 2.22 C ATOM 316 NZ LYS A 19 -15.729 -1.640 3.116 1.00 3.07 N ATOM 0 H LYS A 19 -10.603 -0.127 2.153 1.00 0.68 H new ATOM 0 HA LYS A 19 -11.880 2.182 3.490 1.00 0.75 H new ATOM 0 HB2 LYS A 19 -11.392 -0.688 4.352 1.00 0.99 H new ATOM 0 HB3 LYS A 19 -11.945 0.570 5.439 1.00 0.99 H new ATOM 0 HG2 LYS A 19 -13.967 0.900 4.030 1.00 1.25 H new ATOM 0 HG3 LYS A 19 -13.414 -0.356 2.941 1.00 1.25 H new ATOM 0 HD2 LYS A 19 -13.511 -2.024 4.745 1.00 1.92 H new ATOM 0 HD3 LYS A 19 -13.930 -0.784 5.911 1.00 1.92 H new ATOM 0 HE2 LYS A 19 -15.922 -2.044 5.185 1.00 2.22 H new ATOM 0 HE3 LYS A 19 -16.049 -0.348 4.762 1.00 2.22 H new ATOM 0 HZ1 LYS A 19 -16.728 -1.892 2.974 1.00 3.07 H new ATOM 0 HZ2 LYS A 19 -15.485 -0.835 2.505 1.00 3.07 H new ATOM 0 HZ3 LYS A 19 -15.129 -2.454 2.873 1.00 3.07 H new ATOM 330 N ILE A 20 -9.221 2.620 3.558 1.00 0.74 N ATOM 331 CA ILE A 20 -7.926 3.085 4.043 1.00 0.71 C ATOM 332 C ILE A 20 -8.039 4.584 4.332 1.00 0.78 C ATOM 333 O ILE A 20 -8.887 5.263 3.748 1.00 1.22 O ATOM 334 CB ILE A 20 -6.810 2.803 2.988 1.00 1.02 C ATOM 335 CG1 ILE A 20 -5.408 2.776 3.627 1.00 1.33 C ATOM 336 CG2 ILE A 20 -6.858 3.830 1.858 1.00 1.79 C ATOM 337 CD1 ILE A 20 -4.685 4.112 3.654 1.00 1.72 C ATOM 0 H ILE A 20 -9.539 3.089 2.710 1.00 0.74 H new ATOM 0 HA ILE A 20 -7.652 2.552 4.953 1.00 0.71 H new ATOM 0 HB ILE A 20 -7.004 1.814 2.573 1.00 1.02 H new ATOM 0 HG12 ILE A 20 -5.499 2.409 4.649 1.00 1.33 H new ATOM 0 HG13 ILE A 20 -4.792 2.058 3.084 1.00 1.33 H new ATOM 0 HG21 ILE A 20 -6.071 3.613 1.135 1.00 1.79 H new ATOM 0 HG22 ILE A 20 -7.828 3.782 1.364 1.00 1.79 H new ATOM 0 HG23 ILE A 20 -6.709 4.829 2.268 1.00 1.79 H new ATOM 0 HD11 ILE A 20 -3.709 3.988 4.123 1.00 1.72 H new ATOM 0 HD12 ILE A 20 -4.555 4.476 2.635 1.00 1.72 H new ATOM 0 HD13 ILE A 20 -5.272 4.832 4.224 1.00 1.72 H new ATOM 349 N LYS A 21 -7.209 5.105 5.230 1.00 0.62 N ATOM 350 CA LYS A 21 -7.279 6.512 5.603 1.00 0.88 C ATOM 351 C LYS A 21 -5.989 7.233 5.220 1.00 0.78 C ATOM 352 O LYS A 21 -5.968 8.035 4.285 1.00 1.17 O ATOM 353 CB LYS A 21 -7.535 6.665 7.108 1.00 1.13 C ATOM 354 CG LYS A 21 -8.864 6.090 7.576 1.00 1.52 C ATOM 355 CD LYS A 21 -9.058 6.299 9.071 1.00 1.92 C ATOM 356 CE LYS A 21 -10.394 5.763 9.565 1.00 2.23 C ATOM 357 NZ LYS A 21 -11.551 6.440 8.924 1.00 2.46 N ATOM 0 H LYS A 21 -6.482 4.575 5.711 1.00 0.62 H new ATOM 0 HA LYS A 21 -8.110 6.962 5.060 1.00 0.88 H new ATOM 0 HB2 LYS A 21 -6.728 6.176 7.654 1.00 1.13 H new ATOM 0 HB3 LYS A 21 -7.499 7.724 7.366 1.00 1.13 H new ATOM 0 HG2 LYS A 21 -9.680 6.564 7.031 1.00 1.52 H new ATOM 0 HG3 LYS A 21 -8.903 5.025 7.347 1.00 1.52 H new ATOM 0 HD2 LYS A 21 -8.250 5.806 9.612 1.00 1.92 H new ATOM 0 HD3 LYS A 21 -8.991 7.363 9.298 1.00 1.92 H new ATOM 0 HE2 LYS A 21 -10.448 4.693 9.367 1.00 2.23 H new ATOM 0 HE3 LYS A 21 -10.456 5.890 10.646 1.00 2.23 H new ATOM 0 HZ1 LYS A 21 -12.428 6.164 9.411 1.00 2.46 H new ATOM 0 HZ2 LYS A 21 -11.429 7.471 8.988 1.00 2.46 H new ATOM 0 HZ3 LYS A 21 -11.607 6.160 7.924 1.00 2.46 H new ATOM 371 N LYS A 22 -4.906 6.928 5.930 1.00 0.67 N ATOM 372 CA LYS A 22 -3.623 7.581 5.694 1.00 0.70 C ATOM 373 C LYS A 22 -2.501 6.538 5.682 1.00 0.51 C ATOM 374 O LYS A 22 -2.508 5.602 6.483 1.00 0.50 O ATOM 375 CB LYS A 22 -3.380 8.639 6.788 1.00 1.07 C ATOM 376 CG LYS A 22 -2.433 9.771 6.393 1.00 1.44 C ATOM 377 CD LYS A 22 -0.971 9.357 6.463 1.00 2.03 C ATOM 378 CE LYS A 22 -0.053 10.469 5.975 1.00 2.77 C ATOM 379 NZ LYS A 22 1.375 10.053 5.981 1.00 3.08 N ATOM 0 H LYS A 22 -4.892 6.231 6.675 1.00 0.67 H new ATOM 0 HA LYS A 22 -3.635 8.077 4.724 1.00 0.70 H new ATOM 0 HB2 LYS A 22 -4.339 9.071 7.074 1.00 1.07 H new ATOM 0 HB3 LYS A 22 -2.979 8.141 7.671 1.00 1.07 H new ATOM 0 HG2 LYS A 22 -2.666 10.099 5.380 1.00 1.44 H new ATOM 0 HG3 LYS A 22 -2.598 10.625 7.051 1.00 1.44 H new ATOM 0 HD2 LYS A 22 -0.714 9.096 7.490 1.00 2.03 H new ATOM 0 HD3 LYS A 22 -0.815 8.463 5.858 1.00 2.03 H new ATOM 0 HE2 LYS A 22 -0.342 10.761 4.965 1.00 2.77 H new ATOM 0 HE3 LYS A 22 -0.178 11.347 6.609 1.00 2.77 H new ATOM 0 HZ1 LYS A 22 1.942 10.751 5.458 1.00 3.08 H new ATOM 0 HZ2 LYS A 22 1.716 9.995 6.962 1.00 3.08 H new ATOM 0 HZ3 LYS A 22 1.467 9.122 5.527 1.00 3.08 H new ATOM 393 N VAL A 23 -1.552 6.691 4.767 1.00 0.49 N ATOM 394 CA VAL A 23 -0.426 5.766 4.662 1.00 0.49 C ATOM 395 C VAL A 23 0.873 6.476 5.046 1.00 0.51 C ATOM 396 O VAL A 23 1.086 7.632 4.679 1.00 0.63 O ATOM 397 CB VAL A 23 -0.315 5.172 3.234 1.00 0.64 C ATOM 398 CG1 VAL A 23 -0.120 6.264 2.192 1.00 1.56 C ATOM 399 CG2 VAL A 23 0.809 4.152 3.156 1.00 1.29 C ATOM 0 H VAL A 23 -1.538 7.449 4.084 1.00 0.49 H new ATOM 0 HA VAL A 23 -0.600 4.941 5.353 1.00 0.49 H new ATOM 0 HB VAL A 23 -1.255 4.665 3.016 1.00 0.64 H new ATOM 0 HG11 VAL A 23 -0.046 5.813 1.202 1.00 1.56 H new ATOM 0 HG12 VAL A 23 -0.969 6.947 2.217 1.00 1.56 H new ATOM 0 HG13 VAL A 23 0.795 6.815 2.409 1.00 1.56 H new ATOM 0 HG21 VAL A 23 0.866 3.750 2.144 1.00 1.29 H new ATOM 0 HG22 VAL A 23 1.754 4.632 3.410 1.00 1.29 H new ATOM 0 HG23 VAL A 23 0.614 3.341 3.858 1.00 1.29 H new ATOM 409 N ALA A 24 1.731 5.802 5.806 1.00 0.45 N ATOM 410 CA ALA A 24 2.958 6.414 6.301 1.00 0.51 C ATOM 411 C ALA A 24 4.108 5.418 6.296 1.00 0.46 C ATOM 412 O ALA A 24 3.907 4.218 6.486 1.00 0.44 O ATOM 413 CB ALA A 24 2.742 6.953 7.708 1.00 0.65 C ATOM 0 H ALA A 24 1.599 4.832 6.092 1.00 0.45 H new ATOM 0 HA ALA A 24 3.218 7.238 5.636 1.00 0.51 H new ATOM 0 HB1 ALA A 24 3.664 7.408 8.069 1.00 0.65 H new ATOM 0 HB2 ALA A 24 1.950 7.701 7.693 1.00 0.65 H new ATOM 0 HB3 ALA A 24 2.457 6.136 8.371 1.00 0.65 H new ATOM 419 N ARG A 25 5.312 5.920 6.078 1.00 0.60 N ATOM 420 CA ARG A 25 6.507 5.085 6.080 1.00 0.65 C ATOM 421 C ARG A 25 7.302 5.342 7.354 1.00 0.67 C ATOM 422 O ARG A 25 7.428 6.485 7.792 1.00 0.76 O ATOM 423 CB ARG A 25 7.374 5.397 4.858 1.00 0.86 C ATOM 424 CG ARG A 25 8.406 4.321 4.533 1.00 1.27 C ATOM 425 CD ARG A 25 9.332 4.775 3.417 1.00 1.80 C ATOM 426 NE ARG A 25 10.063 3.669 2.794 1.00 2.24 N ATOM 427 CZ ARG A 25 10.901 3.830 1.772 1.00 2.94 C ATOM 428 NH1 ARG A 25 11.171 5.046 1.324 1.00 3.40 N ATOM 429 NH2 ARG A 25 11.468 2.782 1.193 1.00 3.61 N ATOM 0 H ARG A 25 5.491 6.908 5.896 1.00 0.60 H new ATOM 0 HA ARG A 25 6.209 4.037 6.040 1.00 0.65 H new ATOM 0 HB2 ARG A 25 6.726 5.536 3.993 1.00 0.86 H new ATOM 0 HB3 ARG A 25 7.891 6.342 5.025 1.00 0.86 H new ATOM 0 HG2 ARG A 25 8.990 4.091 5.424 1.00 1.27 H new ATOM 0 HG3 ARG A 25 7.899 3.402 4.238 1.00 1.27 H new ATOM 0 HD2 ARG A 25 8.748 5.292 2.655 1.00 1.80 H new ATOM 0 HD3 ARG A 25 10.046 5.496 3.815 1.00 1.80 H new ATOM 0 HE ARG A 25 9.923 2.728 3.162 1.00 2.24 H new ATOM 0 HH11 ARG A 25 10.737 5.859 1.762 1.00 3.40 H new ATOM 0 HH12 ARG A 25 11.813 5.170 0.541 1.00 3.40 H new ATOM 0 HH21 ARG A 25 11.264 1.841 1.530 1.00 3.61 H new ATOM 0 HH22 ARG A 25 12.109 2.916 0.411 1.00 3.61 H new ATOM 443 N VAL A 26 7.828 4.281 7.949 1.00 0.70 N ATOM 444 CA VAL A 26 8.646 4.420 9.146 1.00 0.81 C ATOM 445 C VAL A 26 10.134 4.365 8.798 1.00 0.92 C ATOM 446 O VAL A 26 10.754 5.398 8.549 1.00 1.51 O ATOM 447 CB VAL A 26 8.290 3.371 10.234 1.00 0.95 C ATOM 448 CG1 VAL A 26 7.062 3.812 11.013 1.00 1.32 C ATOM 449 CG2 VAL A 26 8.044 1.996 9.627 1.00 1.07 C ATOM 0 H VAL A 26 7.705 3.321 7.626 1.00 0.70 H new ATOM 0 HA VAL A 26 8.425 5.400 9.569 1.00 0.81 H new ATOM 0 HB VAL A 26 9.142 3.298 10.909 1.00 0.95 H new ATOM 0 HG11 VAL A 26 6.825 3.066 11.772 1.00 1.32 H new ATOM 0 HG12 VAL A 26 7.261 4.769 11.495 1.00 1.32 H new ATOM 0 HG13 VAL A 26 6.218 3.917 10.332 1.00 1.32 H new ATOM 0 HG21 VAL A 26 7.798 1.288 10.418 1.00 1.07 H new ATOM 0 HG22 VAL A 26 7.216 2.053 8.920 1.00 1.07 H new ATOM 0 HG23 VAL A 26 8.942 1.662 9.108 1.00 1.07 H new ATOM 459 N GLY A 27 10.710 3.175 8.778 1.00 0.93 N ATOM 460 CA GLY A 27 12.086 3.039 8.356 1.00 0.96 C ATOM 461 C GLY A 27 12.205 2.164 7.132 1.00 0.89 C ATOM 462 O GLY A 27 12.635 2.616 6.074 1.00 0.98 O ATOM 0 H GLY A 27 10.252 2.304 9.045 1.00 0.93 H new ATOM 0 HA2 GLY A 27 12.501 4.024 8.142 1.00 0.96 H new ATOM 0 HA3 GLY A 27 12.676 2.614 9.168 1.00 0.96 H new ATOM 466 N LYS A 28 11.799 0.912 7.275 1.00 0.91 N ATOM 467 CA LYS A 28 11.837 -0.042 6.174 1.00 0.97 C ATOM 468 C LYS A 28 10.528 -0.817 6.099 1.00 0.77 C ATOM 469 O LYS A 28 10.453 -1.894 5.506 1.00 0.86 O ATOM 470 CB LYS A 28 13.017 -1.005 6.332 1.00 1.22 C ATOM 471 CG LYS A 28 14.373 -0.332 6.186 1.00 1.60 C ATOM 472 CD LYS A 28 15.510 -1.305 6.428 1.00 1.99 C ATOM 473 CE LYS A 28 16.863 -0.645 6.215 1.00 2.47 C ATOM 474 NZ LYS A 28 17.088 0.487 7.152 1.00 3.21 N ATOM 0 H LYS A 28 11.437 0.530 8.148 1.00 0.91 H new ATOM 0 HA LYS A 28 11.969 0.513 5.245 1.00 0.97 H new ATOM 0 HB2 LYS A 28 12.960 -1.480 7.311 1.00 1.22 H new ATOM 0 HB3 LYS A 28 12.931 -1.797 5.588 1.00 1.22 H new ATOM 0 HG2 LYS A 28 14.463 0.092 5.186 1.00 1.60 H new ATOM 0 HG3 LYS A 28 14.446 0.496 6.891 1.00 1.60 H new ATOM 0 HD2 LYS A 28 15.449 -1.692 7.445 1.00 1.99 H new ATOM 0 HD3 LYS A 28 15.410 -2.157 5.756 1.00 1.99 H new ATOM 0 HE2 LYS A 28 17.652 -1.386 6.346 1.00 2.47 H new ATOM 0 HE3 LYS A 28 16.932 -0.284 5.189 1.00 2.47 H new ATOM 0 HZ1 LYS A 28 18.083 0.787 7.102 1.00 3.21 H new ATOM 0 HZ2 LYS A 28 16.473 1.283 6.889 1.00 3.21 H new ATOM 0 HZ3 LYS A 28 16.866 0.184 8.122 1.00 3.21 H new ATOM 488 N MET A 29 9.504 -0.278 6.742 1.00 0.60 N ATOM 489 CA MET A 29 8.166 -0.839 6.661 1.00 0.52 C ATOM 490 C MET A 29 7.151 0.268 6.417 1.00 0.43 C ATOM 491 O MET A 29 7.473 1.453 6.531 1.00 0.47 O ATOM 492 CB MET A 29 7.818 -1.601 7.946 1.00 0.60 C ATOM 493 CG MET A 29 8.693 -2.821 8.188 1.00 1.39 C ATOM 494 SD MET A 29 8.231 -3.735 9.672 1.00 1.86 S ATOM 495 CE MET A 29 6.562 -4.239 9.258 1.00 2.42 C ATOM 0 H MET A 29 9.576 0.553 7.329 1.00 0.60 H new ATOM 0 HA MET A 29 8.135 -1.540 5.827 1.00 0.52 H new ATOM 0 HB2 MET A 29 7.910 -0.924 8.796 1.00 0.60 H new ATOM 0 HB3 MET A 29 6.775 -1.916 7.901 1.00 0.60 H new ATOM 0 HG2 MET A 29 8.630 -3.484 7.325 1.00 1.39 H new ATOM 0 HG3 MET A 29 9.733 -2.505 8.271 1.00 1.39 H new ATOM 0 HE1 MET A 29 6.418 -5.283 9.536 1.00 2.42 H new ATOM 0 HE2 MET A 29 5.849 -3.617 9.800 1.00 2.42 H new ATOM 0 HE3 MET A 29 6.402 -4.124 8.186 1.00 2.42 H new ATOM 505 N VAL A 30 5.931 -0.119 6.090 1.00 0.52 N ATOM 506 CA VAL A 30 4.875 0.836 5.809 1.00 0.45 C ATOM 507 C VAL A 30 3.735 0.670 6.802 1.00 0.44 C ATOM 508 O VAL A 30 3.131 -0.399 6.892 1.00 0.61 O ATOM 509 CB VAL A 30 4.317 0.669 4.379 1.00 0.56 C ATOM 510 CG1 VAL A 30 3.324 1.777 4.057 1.00 0.54 C ATOM 511 CG2 VAL A 30 5.443 0.636 3.353 1.00 0.61 C ATOM 0 H VAL A 30 5.646 -1.095 6.012 1.00 0.52 H new ATOM 0 HA VAL A 30 5.311 1.831 5.899 1.00 0.45 H new ATOM 0 HB VAL A 30 3.792 -0.285 4.331 1.00 0.56 H new ATOM 0 HG11 VAL A 30 2.943 1.641 3.045 1.00 0.54 H new ATOM 0 HG12 VAL A 30 2.496 1.740 4.765 1.00 0.54 H new ATOM 0 HG13 VAL A 30 3.822 2.744 4.130 1.00 0.54 H new ATOM 0 HG21 VAL A 30 5.022 0.518 2.355 1.00 0.61 H new ATOM 0 HG22 VAL A 30 6.006 1.568 3.401 1.00 0.61 H new ATOM 0 HG23 VAL A 30 6.107 -0.201 3.568 1.00 0.61 H new ATOM 521 N SER A 31 3.449 1.719 7.549 1.00 0.35 N ATOM 522 CA SER A 31 2.366 1.695 8.509 1.00 0.39 C ATOM 523 C SER A 31 1.180 2.491 7.976 1.00 0.37 C ATOM 524 O SER A 31 1.222 3.719 7.896 1.00 0.48 O ATOM 525 CB SER A 31 2.842 2.259 9.849 1.00 0.53 C ATOM 526 OG SER A 31 3.461 3.523 9.680 1.00 1.25 O ATOM 0 H SER A 31 3.956 2.603 7.508 1.00 0.35 H new ATOM 0 HA SER A 31 2.046 0.665 8.664 1.00 0.39 H new ATOM 0 HB2 SER A 31 1.995 2.353 10.529 1.00 0.53 H new ATOM 0 HB3 SER A 31 3.545 1.565 10.310 1.00 0.53 H new ATOM 0 HG SER A 31 2.953 4.052 9.030 1.00 1.25 H new ATOM 532 N PHE A 32 0.132 1.783 7.591 1.00 0.34 N ATOM 533 CA PHE A 32 -1.040 2.413 7.012 1.00 0.34 C ATOM 534 C PHE A 32 -2.209 2.329 7.984 1.00 0.34 C ATOM 535 O PHE A 32 -2.210 1.504 8.903 1.00 0.35 O ATOM 536 CB PHE A 32 -1.402 1.748 5.677 1.00 0.35 C ATOM 537 CG PHE A 32 -1.925 0.347 5.808 1.00 0.37 C ATOM 538 CD1 PHE A 32 -1.063 -0.721 5.997 1.00 0.49 C ATOM 539 CD2 PHE A 32 -3.287 0.102 5.746 1.00 0.42 C ATOM 540 CE1 PHE A 32 -1.549 -2.005 6.122 1.00 0.61 C ATOM 541 CE2 PHE A 32 -3.780 -1.182 5.872 1.00 0.53 C ATOM 542 CZ PHE A 32 -2.909 -2.236 6.062 1.00 0.61 C ATOM 0 H PHE A 32 0.070 0.768 7.670 1.00 0.34 H new ATOM 0 HA PHE A 32 -0.817 3.463 6.821 1.00 0.34 H new ATOM 0 HB2 PHE A 32 -2.151 2.358 5.172 1.00 0.35 H new ATOM 0 HB3 PHE A 32 -0.518 1.736 5.039 1.00 0.35 H new ATOM 0 HD1 PHE A 32 0.002 -0.546 6.047 1.00 0.49 H new ATOM 0 HD2 PHE A 32 -3.971 0.924 5.597 1.00 0.42 H new ATOM 0 HE1 PHE A 32 -0.867 -2.829 6.267 1.00 0.61 H new ATOM 0 HE2 PHE A 32 -4.844 -1.361 5.822 1.00 0.53 H new ATOM 0 HZ PHE A 32 -3.291 -3.241 6.164 1.00 0.61 H new ATOM 552 N THR A 33 -3.190 3.187 7.794 1.00 0.38 N ATOM 553 CA THR A 33 -4.375 3.177 8.626 1.00 0.46 C ATOM 554 C THR A 33 -5.610 2.845 7.805 1.00 0.50 C ATOM 555 O THR A 33 -5.755 3.298 6.670 1.00 0.62 O ATOM 556 CB THR A 33 -4.582 4.529 9.334 1.00 0.57 C ATOM 557 OG1 THR A 33 -4.412 5.602 8.400 1.00 1.17 O ATOM 558 CG2 THR A 33 -3.604 4.695 10.485 1.00 1.06 C ATOM 0 H THR A 33 -3.190 3.903 7.067 1.00 0.38 H new ATOM 0 HA THR A 33 -4.226 2.407 9.383 1.00 0.46 H new ATOM 0 HB THR A 33 -5.596 4.551 9.734 1.00 0.57 H new ATOM 0 HG1 THR A 33 -3.584 5.467 7.894 1.00 1.17 H new ATOM 0 HG21 THR A 33 -3.771 5.658 10.968 1.00 1.06 H new ATOM 0 HG22 THR A 33 -3.755 3.894 11.209 1.00 1.06 H new ATOM 0 HG23 THR A 33 -2.584 4.652 10.104 1.00 1.06 H new ATOM 566 N TYR A 34 -6.488 2.054 8.387 1.00 0.54 N ATOM 567 CA TYR A 34 -7.746 1.692 7.756 1.00 0.63 C ATOM 568 C TYR A 34 -8.864 1.901 8.763 1.00 0.70 C ATOM 569 O TYR A 34 -8.677 2.633 9.738 1.00 0.95 O ATOM 570 CB TYR A 34 -7.711 0.246 7.239 1.00 0.69 C ATOM 571 CG TYR A 34 -7.384 -0.809 8.276 1.00 0.64 C ATOM 572 CD1 TYR A 34 -6.069 -1.105 8.612 1.00 0.66 C ATOM 573 CD2 TYR A 34 -8.399 -1.527 8.903 1.00 0.76 C ATOM 574 CE1 TYR A 34 -5.775 -2.082 9.543 1.00 0.72 C ATOM 575 CE2 TYR A 34 -8.112 -2.501 9.836 1.00 0.81 C ATOM 576 CZ TYR A 34 -6.801 -2.777 10.151 1.00 0.75 C ATOM 577 OH TYR A 34 -6.514 -3.753 11.077 1.00 0.87 O ATOM 0 H TYR A 34 -6.352 1.643 9.310 1.00 0.54 H new ATOM 0 HA TYR A 34 -7.920 2.326 6.887 1.00 0.63 H new ATOM 0 HB2 TYR A 34 -8.681 0.012 6.801 1.00 0.69 H new ATOM 0 HB3 TYR A 34 -6.975 0.183 6.437 1.00 0.69 H new ATOM 0 HD1 TYR A 34 -5.264 -0.563 8.138 1.00 0.66 H new ATOM 0 HD2 TYR A 34 -9.429 -1.317 8.654 1.00 0.76 H new ATOM 0 HE1 TYR A 34 -4.748 -2.301 9.794 1.00 0.72 H new ATOM 0 HE2 TYR A 34 -8.912 -3.044 10.317 1.00 0.81 H new ATOM 0 HH TYR A 34 -5.719 -3.495 11.589 1.00 0.87 H new ATOM 587 N ASP A 35 -10.006 1.261 8.577 1.00 1.05 N ATOM 588 CA ASP A 35 -11.124 1.533 9.460 1.00 1.19 C ATOM 589 C ASP A 35 -12.104 0.376 9.504 1.00 1.20 C ATOM 590 O ASP A 35 -12.567 -0.116 8.478 1.00 1.46 O ATOM 591 CB ASP A 35 -11.844 2.842 9.094 1.00 1.51 C ATOM 592 CG ASP A 35 -12.804 2.737 7.922 1.00 1.63 C ATOM 593 OD1 ASP A 35 -13.998 2.458 8.159 1.00 1.99 O ATOM 594 OD2 ASP A 35 -12.380 2.991 6.775 1.00 2.12 O ATOM 0 H ASP A 35 -10.180 0.571 7.846 1.00 1.05 H new ATOM 0 HA ASP A 35 -10.705 1.654 10.459 1.00 1.19 H new ATOM 0 HB2 ASP A 35 -12.395 3.193 9.966 1.00 1.51 H new ATOM 0 HB3 ASP A 35 -11.095 3.600 8.865 1.00 1.51 H new ATOM 599 N ASP A 36 -12.377 -0.074 10.716 1.00 1.24 N ATOM 600 CA ASP A 36 -13.508 -0.949 10.979 1.00 1.47 C ATOM 601 C ASP A 36 -14.697 -0.066 11.349 1.00 1.69 C ATOM 602 O ASP A 36 -15.570 -0.441 12.135 1.00 2.10 O ATOM 603 CB ASP A 36 -13.153 -1.922 12.121 1.00 1.93 C ATOM 604 CG ASP A 36 -14.245 -2.928 12.446 1.00 2.68 C ATOM 605 OD1 ASP A 36 -14.450 -3.870 11.649 1.00 3.47 O ATOM 606 OD2 ASP A 36 -14.893 -2.788 13.508 1.00 2.88 O ATOM 0 H ASP A 36 -11.825 0.155 11.542 1.00 1.24 H new ATOM 0 HA ASP A 36 -13.758 -1.548 10.104 1.00 1.47 H new ATOM 0 HB2 ASP A 36 -12.245 -2.462 11.853 1.00 1.93 H new ATOM 0 HB3 ASP A 36 -12.928 -1.345 13.018 1.00 1.93 H new ATOM 611 N ASN A 37 -14.706 1.129 10.746 1.00 2.04 N ATOM 612 CA ASN A 37 -15.665 2.190 11.057 1.00 2.52 C ATOM 613 C ASN A 37 -15.450 2.710 12.472 1.00 2.87 C ATOM 614 O ASN A 37 -15.013 3.847 12.662 1.00 3.52 O ATOM 615 CB ASN A 37 -17.108 1.718 10.859 1.00 3.11 C ATOM 616 CG ASN A 37 -17.562 1.795 9.410 1.00 3.61 C ATOM 617 OD1 ASN A 37 -18.752 1.921 9.140 1.00 4.37 O ATOM 618 ND2 ASN A 37 -16.627 1.761 8.469 1.00 3.58 N ATOM 0 H ASN A 37 -14.038 1.387 10.020 1.00 2.04 H new ATOM 0 HA ASN A 37 -15.492 3.010 10.360 1.00 2.52 H new ATOM 0 HB2 ASN A 37 -17.200 0.690 11.209 1.00 3.11 H new ATOM 0 HB3 ASN A 37 -17.771 2.325 11.475 1.00 3.11 H new ATOM 0 HD21 ASN A 37 -16.889 1.841 7.486 1.00 3.58 H new ATOM 0 HD22 ASN A 37 -15.646 1.655 8.728 1.00 3.58 H new ATOM 625 N GLY A 38 -15.739 1.872 13.456 1.00 3.05 N ATOM 626 CA GLY A 38 -15.517 2.241 14.836 1.00 3.84 C ATOM 627 C GLY A 38 -14.058 2.128 15.229 1.00 3.87 C ATOM 628 O GLY A 38 -13.506 3.035 15.848 1.00 4.27 O ATOM 0 H GLY A 38 -16.126 0.938 13.321 1.00 3.05 H new ATOM 0 HA2 GLY A 38 -15.857 3.264 14.996 1.00 3.84 H new ATOM 0 HA3 GLY A 38 -16.117 1.601 15.483 1.00 3.84 H new ATOM 632 N LYS A 39 -13.425 1.015 14.868 1.00 3.58 N ATOM 633 CA LYS A 39 -12.027 0.797 15.225 1.00 3.65 C ATOM 634 C LYS A 39 -11.108 1.306 14.125 1.00 3.06 C ATOM 635 O LYS A 39 -10.966 0.654 13.088 1.00 3.00 O ATOM 636 CB LYS A 39 -11.712 -0.690 15.448 1.00 3.97 C ATOM 637 CG LYS A 39 -12.920 -1.599 15.609 1.00 4.01 C ATOM 638 CD LYS A 39 -13.607 -1.424 16.950 1.00 4.09 C ATOM 639 CE LYS A 39 -14.734 -2.428 17.112 1.00 4.30 C ATOM 640 NZ LYS A 39 -15.746 -2.300 16.031 1.00 4.81 N ATOM 0 H LYS A 39 -13.852 0.258 14.334 1.00 3.58 H new ATOM 0 HA LYS A 39 -11.859 1.343 16.153 1.00 3.65 H new ATOM 0 HB2 LYS A 39 -11.120 -1.048 14.606 1.00 3.97 H new ATOM 0 HB3 LYS A 39 -11.089 -0.782 16.338 1.00 3.97 H new ATOM 0 HG2 LYS A 39 -13.633 -1.395 14.810 1.00 4.01 H new ATOM 0 HG3 LYS A 39 -12.606 -2.637 15.498 1.00 4.01 H new ATOM 0 HD2 LYS A 39 -12.882 -1.551 17.754 1.00 4.09 H new ATOM 0 HD3 LYS A 39 -14.001 -0.411 17.033 1.00 4.09 H new ATOM 0 HE2 LYS A 39 -14.324 -3.438 17.109 1.00 4.30 H new ATOM 0 HE3 LYS A 39 -15.215 -2.282 18.079 1.00 4.30 H new ATOM 0 HZ1 LYS A 39 -16.639 -2.737 16.338 1.00 4.81 H new ATOM 0 HZ2 LYS A 39 -15.906 -1.294 15.823 1.00 4.81 H new ATOM 0 HZ3 LYS A 39 -15.402 -2.780 15.175 1.00 4.81 H new ATOM 654 N THR A 40 -10.532 2.485 14.321 1.00 2.83 N ATOM 655 CA THR A 40 -9.455 2.954 13.460 1.00 2.37 C ATOM 656 C THR A 40 -8.338 1.913 13.419 1.00 1.60 C ATOM 657 O THR A 40 -7.649 1.679 14.415 1.00 2.02 O ATOM 658 CB THR A 40 -8.896 4.299 13.965 1.00 2.76 C ATOM 659 OG1 THR A 40 -9.984 5.185 14.275 1.00 2.97 O ATOM 660 CG2 THR A 40 -7.991 4.944 12.920 1.00 3.08 C ATOM 0 H THR A 40 -10.792 3.132 15.066 1.00 2.83 H new ATOM 0 HA THR A 40 -9.854 3.102 12.456 1.00 2.37 H new ATOM 0 HB THR A 40 -8.304 4.111 14.861 1.00 2.76 H new ATOM 0 HG1 THR A 40 -9.628 6.039 14.598 1.00 2.97 H new ATOM 0 HG21 THR A 40 -7.611 5.891 13.303 1.00 3.08 H new ATOM 0 HG22 THR A 40 -7.155 4.279 12.702 1.00 3.08 H new ATOM 0 HG23 THR A 40 -8.559 5.123 12.007 1.00 3.08 H new ATOM 668 N GLY A 41 -8.186 1.270 12.273 1.00 1.15 N ATOM 669 CA GLY A 41 -7.254 0.172 12.164 1.00 0.83 C ATOM 670 C GLY A 41 -5.855 0.624 11.818 1.00 0.61 C ATOM 671 O GLY A 41 -5.671 1.576 11.062 1.00 0.62 O ATOM 0 H GLY A 41 -8.693 1.490 11.416 1.00 1.15 H new ATOM 0 HA2 GLY A 41 -7.232 -0.375 13.107 1.00 0.83 H new ATOM 0 HA3 GLY A 41 -7.606 -0.523 11.401 1.00 0.83 H new ATOM 675 N ARG A 42 -4.870 -0.069 12.362 1.00 0.52 N ATOM 676 CA ARG A 42 -3.482 0.236 12.096 1.00 0.51 C ATOM 677 C ARG A 42 -2.745 -1.030 11.691 1.00 0.47 C ATOM 678 O ARG A 42 -2.792 -2.037 12.397 1.00 0.61 O ATOM 679 CB ARG A 42 -2.834 0.856 13.332 1.00 0.76 C ATOM 680 CG ARG A 42 -2.279 2.247 13.093 1.00 1.24 C ATOM 681 CD ARG A 42 -1.084 2.215 12.154 1.00 1.30 C ATOM 682 NE ARG A 42 -0.514 3.545 11.943 1.00 1.86 N ATOM 683 CZ ARG A 42 0.568 3.998 12.573 1.00 2.34 C ATOM 684 NH1 ARG A 42 1.146 3.265 13.517 1.00 2.55 N ATOM 685 NH2 ARG A 42 1.049 5.196 12.279 1.00 3.13 N ATOM 0 H ARG A 42 -5.012 -0.854 12.997 1.00 0.52 H new ATOM 0 HA ARG A 42 -3.425 0.954 11.278 1.00 0.51 H new ATOM 0 HB2 ARG A 42 -3.570 0.901 14.134 1.00 0.76 H new ATOM 0 HB3 ARG A 42 -2.029 0.206 13.674 1.00 0.76 H new ATOM 0 HG2 ARG A 42 -3.057 2.883 12.672 1.00 1.24 H new ATOM 0 HG3 ARG A 42 -1.984 2.691 14.044 1.00 1.24 H new ATOM 0 HD2 ARG A 42 -0.320 1.554 12.563 1.00 1.30 H new ATOM 0 HD3 ARG A 42 -1.388 1.795 11.195 1.00 1.30 H new ATOM 0 HE ARG A 42 -0.973 4.163 11.273 1.00 1.86 H new ATOM 0 HH11 ARG A 42 0.761 2.352 13.761 1.00 2.55 H new ATOM 0 HH12 ARG A 42 1.975 3.614 13.998 1.00 2.55 H new ATOM 0 HH21 ARG A 42 0.591 5.770 11.571 1.00 3.13 H new ATOM 0 HH22 ARG A 42 1.878 5.545 12.760 1.00 3.13 H new ATOM 699 N GLY A 43 -2.087 -0.983 10.546 1.00 0.40 N ATOM 700 CA GLY A 43 -1.366 -2.141 10.063 1.00 0.43 C ATOM 701 C GLY A 43 0.002 -1.767 9.541 1.00 0.38 C ATOM 702 O GLY A 43 0.206 -0.642 9.082 1.00 0.39 O ATOM 0 H GLY A 43 -2.038 -0.163 9.941 1.00 0.40 H new ATOM 0 HA2 GLY A 43 -1.262 -2.868 10.869 1.00 0.43 H new ATOM 0 HA3 GLY A 43 -1.939 -2.623 9.271 1.00 0.43 H new ATOM 706 N ALA A 44 0.938 -2.697 9.609 1.00 0.38 N ATOM 707 CA ALA A 44 2.289 -2.443 9.146 1.00 0.39 C ATOM 708 C ALA A 44 2.749 -3.552 8.215 1.00 0.44 C ATOM 709 O ALA A 44 2.860 -4.711 8.618 1.00 0.53 O ATOM 710 CB ALA A 44 3.238 -2.308 10.325 1.00 0.46 C ATOM 0 H ALA A 44 0.787 -3.635 9.981 1.00 0.38 H new ATOM 0 HA ALA A 44 2.294 -1.505 8.591 1.00 0.39 H new ATOM 0 HB1 ALA A 44 4.247 -2.118 9.960 1.00 0.46 H new ATOM 0 HB2 ALA A 44 2.918 -1.479 10.956 1.00 0.46 H new ATOM 0 HB3 ALA A 44 3.230 -3.230 10.906 1.00 0.46 H new ATOM 716 N VAL A 45 2.992 -3.187 6.968 1.00 0.45 N ATOM 717 CA VAL A 45 3.439 -4.128 5.956 1.00 0.54 C ATOM 718 C VAL A 45 4.899 -3.859 5.615 1.00 0.47 C ATOM 719 O VAL A 45 5.314 -2.706 5.501 1.00 0.49 O ATOM 720 CB VAL A 45 2.589 -4.015 4.666 1.00 0.70 C ATOM 721 CG1 VAL A 45 2.994 -5.069 3.644 1.00 1.21 C ATOM 722 CG2 VAL A 45 1.108 -4.125 4.986 1.00 1.50 C ATOM 0 H VAL A 45 2.885 -2.231 6.629 1.00 0.45 H new ATOM 0 HA VAL A 45 3.325 -5.134 6.359 1.00 0.54 H new ATOM 0 HB VAL A 45 2.777 -3.034 4.230 1.00 0.70 H new ATOM 0 HG11 VAL A 45 2.380 -4.964 2.750 1.00 1.21 H new ATOM 0 HG12 VAL A 45 4.043 -4.936 3.381 1.00 1.21 H new ATOM 0 HG13 VAL A 45 2.849 -6.062 4.069 1.00 1.21 H new ATOM 0 HG21 VAL A 45 0.530 -4.043 4.066 1.00 1.50 H new ATOM 0 HG22 VAL A 45 0.908 -5.088 5.456 1.00 1.50 H new ATOM 0 HG23 VAL A 45 0.822 -3.323 5.667 1.00 1.50 H new ATOM 732 N SER A 46 5.679 -4.913 5.481 1.00 0.51 N ATOM 733 CA SER A 46 7.055 -4.784 5.052 1.00 0.62 C ATOM 734 C SER A 46 7.085 -4.426 3.565 1.00 0.74 C ATOM 735 O SER A 46 6.463 -5.096 2.744 1.00 1.13 O ATOM 736 CB SER A 46 7.789 -6.100 5.313 1.00 0.78 C ATOM 737 OG SER A 46 9.177 -5.989 5.056 1.00 1.26 O ATOM 0 H SER A 46 5.381 -5.871 5.664 1.00 0.51 H new ATOM 0 HA SER A 46 7.554 -3.992 5.611 1.00 0.62 H new ATOM 0 HB2 SER A 46 7.634 -6.403 6.349 1.00 0.78 H new ATOM 0 HB3 SER A 46 7.365 -6.883 4.685 1.00 0.78 H new ATOM 0 HG SER A 46 9.613 -6.848 5.235 1.00 1.26 H new ATOM 743 N GLU A 47 7.792 -3.347 3.236 1.00 0.64 N ATOM 744 CA GLU A 47 7.812 -2.831 1.868 1.00 0.78 C ATOM 745 C GLU A 47 8.470 -3.811 0.893 1.00 0.69 C ATOM 746 O GLU A 47 8.152 -3.813 -0.298 1.00 0.81 O ATOM 747 CB GLU A 47 8.490 -1.461 1.802 1.00 1.15 C ATOM 748 CG GLU A 47 9.858 -1.418 2.449 1.00 1.53 C ATOM 749 CD GLU A 47 10.531 -0.071 2.301 1.00 1.83 C ATOM 750 OE1 GLU A 47 11.224 0.157 1.287 1.00 2.01 O ATOM 751 OE2 GLU A 47 10.375 0.774 3.204 1.00 2.34 O ATOM 0 H GLU A 47 8.358 -2.814 3.896 1.00 0.64 H new ATOM 0 HA GLU A 47 6.773 -2.713 1.559 1.00 0.78 H new ATOM 0 HB2 GLU A 47 8.584 -1.164 0.758 1.00 1.15 H new ATOM 0 HB3 GLU A 47 7.847 -0.726 2.286 1.00 1.15 H new ATOM 0 HG2 GLU A 47 9.762 -1.658 3.508 1.00 1.53 H new ATOM 0 HG3 GLU A 47 10.490 -2.186 2.004 1.00 1.53 H new ATOM 758 N LYS A 48 9.396 -4.628 1.384 1.00 0.67 N ATOM 759 CA LYS A 48 9.979 -5.680 0.556 1.00 0.76 C ATOM 760 C LYS A 48 8.983 -6.821 0.345 1.00 0.70 C ATOM 761 O LYS A 48 9.085 -7.574 -0.621 1.00 0.83 O ATOM 762 CB LYS A 48 11.283 -6.213 1.161 1.00 0.93 C ATOM 763 CG LYS A 48 11.112 -6.914 2.499 1.00 1.63 C ATOM 764 CD LYS A 48 12.428 -7.487 2.998 1.00 2.06 C ATOM 765 CE LYS A 48 13.468 -6.401 3.234 1.00 2.59 C ATOM 766 NZ LYS A 48 14.765 -6.975 3.672 1.00 3.35 N ATOM 0 H LYS A 48 9.756 -4.585 2.338 1.00 0.67 H new ATOM 0 HA LYS A 48 10.214 -5.241 -0.413 1.00 0.76 H new ATOM 0 HB2 LYS A 48 11.739 -6.908 0.456 1.00 0.93 H new ATOM 0 HB3 LYS A 48 11.978 -5.383 1.285 1.00 0.93 H new ATOM 0 HG2 LYS A 48 10.719 -6.210 3.232 1.00 1.63 H new ATOM 0 HG3 LYS A 48 10.379 -7.715 2.401 1.00 1.63 H new ATOM 0 HD2 LYS A 48 12.257 -8.034 3.925 1.00 2.06 H new ATOM 0 HD3 LYS A 48 12.810 -8.204 2.271 1.00 2.06 H new ATOM 0 HE2 LYS A 48 13.613 -5.829 2.317 1.00 2.59 H new ATOM 0 HE3 LYS A 48 13.104 -5.705 3.989 1.00 2.59 H new ATOM 0 HZ1 LYS A 48 15.451 -6.208 3.824 1.00 3.35 H new ATOM 0 HZ2 LYS A 48 14.630 -7.500 4.560 1.00 3.35 H new ATOM 0 HZ3 LYS A 48 15.124 -7.620 2.940 1.00 3.35 H new ATOM 780 N ASP A 49 8.025 -6.938 1.259 1.00 0.59 N ATOM 781 CA ASP A 49 6.978 -7.957 1.168 1.00 0.65 C ATOM 782 C ASP A 49 5.657 -7.319 0.747 1.00 0.66 C ATOM 783 O ASP A 49 4.583 -7.735 1.184 1.00 0.72 O ATOM 784 CB ASP A 49 6.794 -8.672 2.514 1.00 0.68 C ATOM 785 CG ASP A 49 7.934 -9.608 2.862 1.00 1.28 C ATOM 786 OD1 ASP A 49 8.905 -9.165 3.514 1.00 2.22 O ATOM 787 OD2 ASP A 49 7.857 -10.802 2.499 1.00 1.27 O ATOM 0 H ASP A 49 7.950 -6.336 2.079 1.00 0.59 H new ATOM 0 HA ASP A 49 7.283 -8.689 0.420 1.00 0.65 H new ATOM 0 HB2 ASP A 49 6.694 -7.926 3.302 1.00 0.68 H new ATOM 0 HB3 ASP A 49 5.863 -9.239 2.491 1.00 0.68 H new ATOM 792 N ALA A 50 5.748 -6.304 -0.099 1.00 0.69 N ATOM 793 CA ALA A 50 4.579 -5.537 -0.512 1.00 0.72 C ATOM 794 C ALA A 50 3.717 -6.315 -1.498 1.00 0.70 C ATOM 795 O ALA A 50 4.225 -6.876 -2.472 1.00 0.79 O ATOM 796 CB ALA A 50 5.002 -4.208 -1.116 1.00 0.87 C ATOM 0 H ALA A 50 6.624 -5.990 -0.516 1.00 0.69 H new ATOM 0 HA ALA A 50 3.978 -5.347 0.377 1.00 0.72 H new ATOM 0 HB1 ALA A 50 4.117 -3.648 -1.419 1.00 0.87 H new ATOM 0 HB2 ALA A 50 5.560 -3.633 -0.376 1.00 0.87 H new ATOM 0 HB3 ALA A 50 5.633 -4.388 -1.986 1.00 0.87 H new ATOM 802 N PRO A 51 2.396 -6.362 -1.261 1.00 0.65 N ATOM 803 CA PRO A 51 1.445 -7.033 -2.143 1.00 0.70 C ATOM 804 C PRO A 51 0.991 -6.132 -3.296 1.00 0.72 C ATOM 805 O PRO A 51 -0.204 -6.024 -3.578 1.00 1.01 O ATOM 806 CB PRO A 51 0.264 -7.365 -1.215 1.00 0.72 C ATOM 807 CG PRO A 51 0.601 -6.778 0.126 1.00 0.73 C ATOM 808 CD PRO A 51 1.717 -5.799 -0.096 1.00 0.64 C ATOM 0 HA PRO A 51 1.880 -7.910 -2.622 1.00 0.70 H new ATOM 0 HB2 PRO A 51 -0.664 -6.944 -1.601 1.00 0.72 H new ATOM 0 HB3 PRO A 51 0.119 -8.443 -1.142 1.00 0.72 H new ATOM 0 HG2 PRO A 51 -0.267 -6.282 0.560 1.00 0.73 H new ATOM 0 HG3 PRO A 51 0.905 -7.558 0.824 1.00 0.73 H new ATOM 0 HD2 PRO A 51 1.344 -4.793 -0.289 1.00 0.64 H new ATOM 0 HD3 PRO A 51 2.378 -5.733 0.768 1.00 0.64 H new ATOM 816 N LYS A 52 1.966 -5.494 -3.947 1.00 0.61 N ATOM 817 CA LYS A 52 1.728 -4.593 -5.082 1.00 0.70 C ATOM 818 C LYS A 52 1.021 -3.301 -4.649 1.00 0.60 C ATOM 819 O LYS A 52 1.636 -2.238 -4.624 1.00 0.70 O ATOM 820 CB LYS A 52 0.920 -5.304 -6.182 1.00 1.04 C ATOM 821 CG LYS A 52 0.858 -4.541 -7.495 1.00 1.38 C ATOM 822 CD LYS A 52 2.238 -4.395 -8.111 1.00 2.01 C ATOM 823 CE LYS A 52 2.183 -3.672 -9.445 1.00 2.22 C ATOM 824 NZ LYS A 52 3.540 -3.491 -10.020 1.00 2.97 N ATOM 0 H LYS A 52 2.951 -5.587 -3.701 1.00 0.61 H new ATOM 0 HA LYS A 52 2.702 -4.316 -5.484 1.00 0.70 H new ATOM 0 HB2 LYS A 52 1.359 -6.285 -6.364 1.00 1.04 H new ATOM 0 HB3 LYS A 52 -0.095 -5.471 -5.822 1.00 1.04 H new ATOM 0 HG2 LYS A 52 0.200 -5.062 -8.190 1.00 1.38 H new ATOM 0 HG3 LYS A 52 0.426 -3.555 -7.325 1.00 1.38 H new ATOM 0 HD2 LYS A 52 2.886 -3.848 -7.427 1.00 2.01 H new ATOM 0 HD3 LYS A 52 2.681 -5.381 -8.249 1.00 2.01 H new ATOM 0 HE2 LYS A 52 1.564 -4.237 -10.141 1.00 2.22 H new ATOM 0 HE3 LYS A 52 1.709 -2.699 -9.314 1.00 2.22 H new ATOM 0 HZ1 LYS A 52 3.468 -2.994 -10.931 1.00 2.97 H new ATOM 0 HZ2 LYS A 52 4.123 -2.931 -9.365 1.00 2.97 H new ATOM 0 HZ3 LYS A 52 3.982 -4.421 -10.167 1.00 2.97 H new ATOM 838 N GLU A 53 -0.269 -3.427 -4.323 1.00 0.67 N ATOM 839 CA GLU A 53 -1.139 -2.314 -3.908 1.00 0.82 C ATOM 840 C GLU A 53 -0.407 -1.214 -3.127 1.00 0.80 C ATOM 841 O GLU A 53 -0.334 -0.065 -3.569 1.00 1.00 O ATOM 842 CB GLU A 53 -2.274 -2.866 -3.038 1.00 1.09 C ATOM 843 CG GLU A 53 -3.626 -2.200 -3.259 1.00 1.69 C ATOM 844 CD GLU A 53 -3.592 -0.696 -3.106 1.00 2.07 C ATOM 845 OE1 GLU A 53 -3.475 -0.222 -1.964 1.00 2.77 O ATOM 846 OE2 GLU A 53 -3.695 0.012 -4.131 1.00 2.33 O ATOM 0 H GLU A 53 -0.752 -4.325 -4.340 1.00 0.67 H new ATOM 0 HA GLU A 53 -1.516 -1.855 -4.822 1.00 0.82 H new ATOM 0 HB2 GLU A 53 -2.375 -3.934 -3.230 1.00 1.09 H new ATOM 0 HB3 GLU A 53 -1.997 -2.756 -1.990 1.00 1.09 H new ATOM 0 HG2 GLU A 53 -3.984 -2.447 -4.258 1.00 1.69 H new ATOM 0 HG3 GLU A 53 -4.345 -2.613 -2.551 1.00 1.69 H new ATOM 853 N LEU A 54 0.180 -1.583 -1.998 1.00 0.69 N ATOM 854 CA LEU A 54 0.696 -0.596 -1.056 1.00 0.74 C ATOM 855 C LEU A 54 2.070 -0.090 -1.487 1.00 0.78 C ATOM 856 O LEU A 54 2.485 1.007 -1.113 1.00 1.15 O ATOM 857 CB LEU A 54 0.775 -1.214 0.342 1.00 0.78 C ATOM 858 CG LEU A 54 1.130 -0.244 1.470 1.00 0.83 C ATOM 859 CD1 LEU A 54 0.061 0.830 1.611 1.00 1.34 C ATOM 860 CD2 LEU A 54 1.309 -0.995 2.778 1.00 1.82 C ATOM 0 H LEU A 54 0.311 -2.553 -1.711 1.00 0.69 H new ATOM 0 HA LEU A 54 0.016 0.256 -1.039 1.00 0.74 H new ATOM 0 HB2 LEU A 54 -0.186 -1.675 0.571 1.00 0.78 H new ATOM 0 HB3 LEU A 54 1.516 -2.013 0.326 1.00 0.78 H new ATOM 0 HG LEU A 54 2.072 0.244 1.220 1.00 0.83 H new ATOM 0 HD11 LEU A 54 0.332 1.510 2.419 1.00 1.34 H new ATOM 0 HD12 LEU A 54 -0.019 1.388 0.678 1.00 1.34 H new ATOM 0 HD13 LEU A 54 -0.897 0.362 1.837 1.00 1.34 H new ATOM 0 HD21 LEU A 54 1.561 -0.290 3.570 1.00 1.82 H new ATOM 0 HD22 LEU A 54 0.382 -1.510 3.032 1.00 1.82 H new ATOM 0 HD23 LEU A 54 2.112 -1.724 2.672 1.00 1.82 H new ATOM 872 N LEU A 55 2.757 -0.882 -2.298 1.00 0.63 N ATOM 873 CA LEU A 55 4.045 -0.477 -2.842 1.00 0.65 C ATOM 874 C LEU A 55 3.886 0.728 -3.768 1.00 0.66 C ATOM 875 O LEU A 55 4.770 1.583 -3.835 1.00 0.76 O ATOM 876 CB LEU A 55 4.698 -1.660 -3.577 1.00 0.68 C ATOM 877 CG LEU A 55 6.106 -1.421 -4.136 1.00 0.99 C ATOM 878 CD1 LEU A 55 6.934 -2.692 -4.034 1.00 1.18 C ATOM 879 CD2 LEU A 55 6.042 -0.968 -5.589 1.00 1.87 C ATOM 0 H LEU A 55 2.445 -1.807 -2.593 1.00 0.63 H new ATOM 0 HA LEU A 55 4.697 -0.178 -2.021 1.00 0.65 H new ATOM 0 HB2 LEU A 55 4.742 -2.506 -2.891 1.00 0.68 H new ATOM 0 HB3 LEU A 55 4.048 -1.951 -4.402 1.00 0.68 H new ATOM 0 HG LEU A 55 6.576 -0.635 -3.545 1.00 0.99 H new ATOM 0 HD11 LEU A 55 7.931 -2.510 -4.434 1.00 1.18 H new ATOM 0 HD12 LEU A 55 7.011 -2.993 -2.989 1.00 1.18 H new ATOM 0 HD13 LEU A 55 6.454 -3.486 -4.606 1.00 1.18 H new ATOM 0 HD21 LEU A 55 7.052 -0.805 -5.964 1.00 1.87 H new ATOM 0 HD22 LEU A 55 5.552 -1.736 -6.188 1.00 1.87 H new ATOM 0 HD23 LEU A 55 5.476 -0.039 -5.656 1.00 1.87 H new ATOM 891 N ASP A 56 2.751 0.818 -4.456 1.00 0.64 N ATOM 892 CA ASP A 56 2.479 1.982 -5.291 1.00 0.69 C ATOM 893 C ASP A 56 2.071 3.178 -4.438 1.00 0.76 C ATOM 894 O ASP A 56 2.501 4.304 -4.685 1.00 0.90 O ATOM 895 CB ASP A 56 1.384 1.693 -6.320 1.00 0.79 C ATOM 896 CG ASP A 56 1.094 2.906 -7.190 1.00 1.12 C ATOM 897 OD1 ASP A 56 1.899 3.205 -8.097 1.00 1.33 O ATOM 898 OD2 ASP A 56 0.061 3.572 -6.965 1.00 1.59 O ATOM 0 H ASP A 56 2.016 0.111 -4.453 1.00 0.64 H new ATOM 0 HA ASP A 56 3.401 2.217 -5.823 1.00 0.69 H new ATOM 0 HB2 ASP A 56 1.689 0.858 -6.950 1.00 0.79 H new ATOM 0 HB3 ASP A 56 0.473 1.388 -5.806 1.00 0.79 H new ATOM 903 N MET A 57 1.270 2.923 -3.405 1.00 0.75 N ATOM 904 CA MET A 57 0.725 4.003 -2.581 1.00 0.87 C ATOM 905 C MET A 57 1.811 4.673 -1.759 1.00 0.95 C ATOM 906 O MET A 57 1.756 5.875 -1.508 1.00 1.44 O ATOM 907 CB MET A 57 -0.373 3.498 -1.643 1.00 0.97 C ATOM 908 CG MET A 57 -1.685 3.179 -2.334 1.00 1.08 C ATOM 909 SD MET A 57 -3.066 3.119 -1.177 1.00 1.54 S ATOM 910 CE MET A 57 -4.431 2.832 -2.300 1.00 2.05 C ATOM 0 H MET A 57 0.985 1.986 -3.119 1.00 0.75 H new ATOM 0 HA MET A 57 0.295 4.731 -3.269 1.00 0.87 H new ATOM 0 HB2 MET A 57 -0.017 2.602 -1.134 1.00 0.97 H new ATOM 0 HB3 MET A 57 -0.553 4.250 -0.875 1.00 0.97 H new ATOM 0 HG2 MET A 57 -1.885 3.932 -3.097 1.00 1.08 H new ATOM 0 HG3 MET A 57 -1.600 2.221 -2.846 1.00 1.08 H new ATOM 0 HE1 MET A 57 -5.177 2.204 -1.813 1.00 2.05 H new ATOM 0 HE2 MET A 57 -4.883 3.785 -2.574 1.00 2.05 H new ATOM 0 HE3 MET A 57 -4.065 2.332 -3.197 1.00 2.05 H new ATOM 920 N LEU A 58 2.809 3.902 -1.358 1.00 0.84 N ATOM 921 CA LEU A 58 3.893 4.447 -0.558 1.00 0.89 C ATOM 922 C LEU A 58 4.827 5.264 -1.451 1.00 0.97 C ATOM 923 O LEU A 58 5.422 6.247 -1.013 1.00 1.36 O ATOM 924 CB LEU A 58 4.642 3.320 0.168 1.00 0.97 C ATOM 925 CG LEU A 58 5.487 3.751 1.381 1.00 0.87 C ATOM 926 CD1 LEU A 58 6.845 4.275 0.945 1.00 1.63 C ATOM 927 CD2 LEU A 58 4.756 4.807 2.197 1.00 1.59 C ATOM 0 H LEU A 58 2.891 2.908 -1.570 1.00 0.84 H new ATOM 0 HA LEU A 58 3.486 5.110 0.206 1.00 0.89 H new ATOM 0 HB2 LEU A 58 3.914 2.581 0.501 1.00 0.97 H new ATOM 0 HB3 LEU A 58 5.296 2.823 -0.549 1.00 0.97 H new ATOM 0 HG LEU A 58 5.644 2.871 2.005 1.00 0.87 H new ATOM 0 HD11 LEU A 58 7.419 4.572 1.823 1.00 1.63 H new ATOM 0 HD12 LEU A 58 7.381 3.493 0.408 1.00 1.63 H new ATOM 0 HD13 LEU A 58 6.710 5.137 0.291 1.00 1.63 H new ATOM 0 HD21 LEU A 58 5.370 5.098 3.049 1.00 1.59 H new ATOM 0 HD22 LEU A 58 4.564 5.680 1.573 1.00 1.59 H new ATOM 0 HD23 LEU A 58 3.810 4.401 2.554 1.00 1.59 H new ATOM 939 N ALA A 59 4.915 4.879 -2.718 1.00 0.84 N ATOM 940 CA ALA A 59 5.727 5.615 -3.683 1.00 0.93 C ATOM 941 C ALA A 59 5.129 6.991 -3.974 1.00 0.99 C ATOM 942 O ALA A 59 5.837 7.921 -4.358 1.00 1.11 O ATOM 943 CB ALA A 59 5.880 4.824 -4.968 1.00 1.07 C ATOM 0 H ALA A 59 4.436 4.064 -3.102 1.00 0.84 H new ATOM 0 HA ALA A 59 6.714 5.761 -3.244 1.00 0.93 H new ATOM 0 HB1 ALA A 59 6.488 5.390 -5.673 1.00 1.07 H new ATOM 0 HB2 ALA A 59 6.365 3.872 -4.753 1.00 1.07 H new ATOM 0 HB3 ALA A 59 4.897 4.641 -5.402 1.00 1.07 H new ATOM 949 N ARG A 60 3.821 7.124 -3.772 1.00 1.13 N ATOM 950 CA ARG A 60 3.148 8.410 -3.927 1.00 1.40 C ATOM 951 C ARG A 60 3.412 9.307 -2.718 1.00 1.53 C ATOM 952 O ARG A 60 3.027 10.473 -2.700 1.00 1.94 O ATOM 953 CB ARG A 60 1.648 8.214 -4.131 1.00 1.59 C ATOM 954 CG ARG A 60 1.293 7.702 -5.517 1.00 1.74 C ATOM 955 CD ARG A 60 0.443 6.448 -5.451 1.00 1.93 C ATOM 956 NE ARG A 60 -0.768 6.640 -4.658 1.00 2.28 N ATOM 957 CZ ARG A 60 -1.847 5.871 -4.752 1.00 2.83 C ATOM 958 NH1 ARG A 60 -1.852 4.812 -5.552 1.00 3.12 N ATOM 959 NH2 ARG A 60 -2.915 6.145 -4.017 1.00 3.60 N ATOM 0 H ARG A 60 3.206 6.357 -3.501 1.00 1.13 H new ATOM 0 HA ARG A 60 3.553 8.900 -4.813 1.00 1.40 H new ATOM 0 HB2 ARG A 60 1.275 7.512 -3.385 1.00 1.59 H new ATOM 0 HB3 ARG A 60 1.138 9.162 -3.959 1.00 1.59 H new ATOM 0 HG2 ARG A 60 0.757 8.477 -6.065 1.00 1.74 H new ATOM 0 HG3 ARG A 60 2.207 7.493 -6.073 1.00 1.74 H new ATOM 0 HD2 ARG A 60 0.169 6.144 -6.461 1.00 1.93 H new ATOM 0 HD3 ARG A 60 1.030 5.636 -5.022 1.00 1.93 H new ATOM 0 HE ARG A 60 -0.786 7.412 -3.991 1.00 2.28 H new ATOM 0 HH11 ARG A 60 -1.023 4.583 -6.101 1.00 3.12 H new ATOM 0 HH12 ARG A 60 -2.685 4.227 -5.618 1.00 3.12 H new ATOM 0 HH21 ARG A 60 -2.906 6.944 -3.382 1.00 3.60 H new ATOM 0 HH22 ARG A 60 -3.746 5.557 -4.086 1.00 3.60 H new ATOM 973 N ALA A 61 4.078 8.745 -1.719 1.00 1.52 N ATOM 974 CA ALA A 61 4.521 9.505 -0.558 1.00 1.79 C ATOM 975 C ALA A 61 6.008 9.793 -0.700 1.00 1.71 C ATOM 976 O ALA A 61 6.546 10.725 -0.102 1.00 2.10 O ATOM 977 CB ALA A 61 4.236 8.744 0.729 1.00 1.95 C ATOM 0 H ALA A 61 4.325 7.756 -1.690 1.00 1.52 H new ATOM 0 HA ALA A 61 3.972 10.445 -0.507 1.00 1.79 H new ATOM 0 HB1 ALA A 61 4.576 9.332 1.582 1.00 1.95 H new ATOM 0 HB2 ALA A 61 3.164 8.564 0.816 1.00 1.95 H new ATOM 0 HB3 ALA A 61 4.764 7.790 0.712 1.00 1.95 H new ATOM 983 N GLU A 62 6.656 8.974 -1.520 1.00 1.51 N ATOM 984 CA GLU A 62 8.062 9.143 -1.855 1.00 1.64 C ATOM 985 C GLU A 62 8.279 10.383 -2.703 1.00 1.93 C ATOM 986 O GLU A 62 9.347 10.990 -2.666 1.00 2.42 O ATOM 987 CB GLU A 62 8.564 7.916 -2.617 1.00 1.89 C ATOM 988 CG GLU A 62 8.764 6.694 -1.745 1.00 2.14 C ATOM 989 CD GLU A 62 10.000 6.809 -0.881 1.00 2.57 C ATOM 990 OE1 GLU A 62 9.942 7.498 0.156 1.00 2.91 O ATOM 991 OE2 GLU A 62 11.034 6.197 -1.222 1.00 2.98 O ATOM 0 H GLU A 62 6.218 8.171 -1.972 1.00 1.51 H new ATOM 0 HA GLU A 62 8.619 9.257 -0.925 1.00 1.64 H new ATOM 0 HB2 GLU A 62 7.853 7.675 -3.407 1.00 1.89 H new ATOM 0 HB3 GLU A 62 9.508 8.163 -3.103 1.00 1.89 H new ATOM 0 HG2 GLU A 62 7.889 6.555 -1.109 1.00 2.14 H new ATOM 0 HG3 GLU A 62 8.844 5.808 -2.375 1.00 2.14 H new ATOM 998 N ARG A 63 7.268 10.751 -3.467 1.00 2.16 N ATOM 999 CA ARG A 63 7.355 11.926 -4.312 1.00 2.69 C ATOM 1000 C ARG A 63 7.025 13.187 -3.522 1.00 2.85 C ATOM 1001 O ARG A 63 7.821 13.632 -2.693 1.00 3.26 O ATOM 1002 CB ARG A 63 6.434 11.796 -5.527 1.00 3.11 C ATOM 1003 CG ARG A 63 6.845 10.695 -6.487 1.00 3.13 C ATOM 1004 CD ARG A 63 5.911 10.629 -7.682 1.00 3.11 C ATOM 1005 NE ARG A 63 6.382 9.687 -8.695 1.00 2.92 N ATOM 1006 CZ ARG A 63 6.204 9.850 -10.002 1.00 3.14 C ATOM 1007 NH1 ARG A 63 5.512 10.890 -10.454 1.00 3.60 N ATOM 1008 NH2 ARG A 63 6.708 8.966 -10.855 1.00 3.44 N ATOM 0 H ARG A 63 6.379 10.254 -3.520 1.00 2.16 H new ATOM 0 HA ARG A 63 8.381 12.005 -4.671 1.00 2.69 H new ATOM 0 HB2 ARG A 63 5.417 11.605 -5.183 1.00 3.11 H new ATOM 0 HB3 ARG A 63 6.417 12.745 -6.062 1.00 3.11 H new ATOM 0 HG2 ARG A 63 7.865 10.870 -6.829 1.00 3.13 H new ATOM 0 HG3 ARG A 63 6.843 9.737 -5.967 1.00 3.13 H new ATOM 0 HD2 ARG A 63 4.916 10.335 -7.348 1.00 3.11 H new ATOM 0 HD3 ARG A 63 5.818 11.621 -8.125 1.00 3.11 H new ATOM 0 HE ARG A 63 6.878 8.853 -8.380 1.00 2.92 H new ATOM 0 HH11 ARG A 63 5.117 11.564 -9.798 1.00 3.60 H new ATOM 0 HH12 ARG A 63 5.376 11.015 -11.457 1.00 3.60 H new ATOM 0 HH21 ARG A 63 7.231 8.163 -10.507 1.00 3.44 H new ATOM 0 HH22 ARG A 63 6.572 9.090 -11.858 1.00 3.44 H new ATOM 1022 N GLU A 64 5.826 13.720 -3.742 1.00 2.76 N ATOM 1023 CA GLU A 64 5.418 15.003 -3.164 1.00 3.00 C ATOM 1024 C GLU A 64 6.536 16.045 -3.251 1.00 3.08 C ATOM 1025 O GLU A 64 7.185 16.187 -4.289 1.00 3.72 O ATOM 1026 CB GLU A 64 4.962 14.833 -1.711 1.00 2.97 C ATOM 1027 CG GLU A 64 3.621 14.133 -1.570 1.00 3.43 C ATOM 1028 CD GLU A 64 3.059 14.235 -0.166 1.00 3.74 C ATOM 1029 OE1 GLU A 64 3.184 15.308 0.459 1.00 4.00 O ATOM 1030 OE2 GLU A 64 2.493 13.234 0.323 1.00 4.07 O ATOM 0 H GLU A 64 5.112 13.280 -4.322 1.00 2.76 H new ATOM 0 HA GLU A 64 4.575 15.365 -3.753 1.00 3.00 H new ATOM 0 HB2 GLU A 64 5.717 14.266 -1.166 1.00 2.97 H new ATOM 0 HB3 GLU A 64 4.901 15.815 -1.241 1.00 2.97 H new ATOM 0 HG2 GLU A 64 2.912 14.568 -2.274 1.00 3.43 H new ATOM 0 HG3 GLU A 64 3.733 13.082 -1.838 1.00 3.43 H new ATOM 1037 N LYS A 65 6.755 16.766 -2.159 1.00 2.73 N ATOM 1038 CA LYS A 65 7.778 17.804 -2.113 1.00 2.95 C ATOM 1039 C LYS A 65 9.164 17.257 -1.758 1.00 2.86 C ATOM 1040 O LYS A 65 10.026 18.003 -1.291 1.00 3.37 O ATOM 1041 CB LYS A 65 7.366 18.916 -1.135 1.00 3.11 C ATOM 1042 CG LYS A 65 6.668 18.446 0.146 1.00 3.54 C ATOM 1043 CD LYS A 65 7.623 17.822 1.159 1.00 3.77 C ATOM 1044 CE LYS A 65 7.694 16.310 1.024 1.00 3.79 C ATOM 1045 NZ LYS A 65 8.583 15.704 2.050 1.00 4.11 N ATOM 0 H LYS A 65 6.235 16.650 -1.289 1.00 2.73 H new ATOM 0 HA LYS A 65 7.856 18.219 -3.118 1.00 2.95 H new ATOM 0 HB2 LYS A 65 8.257 19.479 -0.856 1.00 3.11 H new ATOM 0 HB3 LYS A 65 6.703 19.606 -1.656 1.00 3.11 H new ATOM 0 HG2 LYS A 65 6.162 19.294 0.608 1.00 3.54 H new ATOM 0 HG3 LYS A 65 5.899 17.719 -0.113 1.00 3.54 H new ATOM 0 HD2 LYS A 65 8.619 18.244 1.025 1.00 3.77 H new ATOM 0 HD3 LYS A 65 7.300 18.080 2.167 1.00 3.77 H new ATOM 0 HE2 LYS A 65 6.693 15.890 1.117 1.00 3.79 H new ATOM 0 HE3 LYS A 65 8.057 16.051 0.030 1.00 3.79 H new ATOM 0 HZ1 LYS A 65 8.605 14.672 1.924 1.00 4.11 H new ATOM 0 HZ2 LYS A 65 9.545 16.086 1.945 1.00 4.11 H new ATOM 0 HZ3 LYS A 65 8.222 15.930 2.999 1.00 4.11 H new ATOM 1059 N LYS A 66 9.382 15.962 -1.953 1.00 2.75 N ATOM 1060 CA LYS A 66 10.694 15.378 -1.713 1.00 2.95 C ATOM 1061 C LYS A 66 11.426 15.199 -3.036 1.00 3.53 C ATOM 1062 O LYS A 66 11.134 14.220 -3.748 1.00 3.96 O ATOM 1063 CB LYS A 66 10.584 14.032 -0.993 1.00 2.95 C ATOM 1064 CG LYS A 66 11.912 13.537 -0.440 1.00 3.03 C ATOM 1065 CD LYS A 66 12.146 12.065 -0.739 1.00 3.31 C ATOM 1066 CE LYS A 66 11.083 11.177 -0.114 1.00 3.21 C ATOM 1067 NZ LYS A 66 11.306 9.746 -0.448 1.00 3.29 N ATOM 1068 OXT LYS A 66 12.285 16.043 -3.357 1.00 4.01 O ATOM 0 H LYS A 66 8.674 15.302 -2.274 1.00 2.75 H new ATOM 0 HA LYS A 66 11.255 16.057 -1.071 1.00 2.95 H new ATOM 0 HB2 LYS A 66 9.869 14.122 -0.176 1.00 2.95 H new ATOM 0 HB3 LYS A 66 10.186 13.289 -1.684 1.00 2.95 H new ATOM 0 HG2 LYS A 66 12.724 14.126 -0.867 1.00 3.03 H new ATOM 0 HG3 LYS A 66 11.936 13.695 0.638 1.00 3.03 H new ATOM 0 HD2 LYS A 66 12.156 11.912 -1.818 1.00 3.31 H new ATOM 0 HD3 LYS A 66 13.127 11.772 -0.366 1.00 3.31 H new ATOM 0 HE2 LYS A 66 11.091 11.305 0.968 1.00 3.21 H new ATOM 0 HE3 LYS A 66 10.098 11.485 -0.464 1.00 3.21 H new ATOM 0 HZ1 LYS A 66 10.564 9.167 -0.006 1.00 3.29 H new ATOM 0 HZ2 LYS A 66 11.274 9.621 -1.480 1.00 3.29 H new ATOM 0 HZ3 LYS A 66 12.236 9.447 -0.092 1.00 3.29 H new