USER MOD reduce.3.24.130724 H: found=0, std=0, add=557, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 557 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -168:sc= -0.0728 (180deg=-0.213) USER MOD Single : A 3 LYS NZ :NH3+ -156:sc= 1.16 (180deg=1.01) USER MOD Single : A 5 LYS NZ :NH3+ -155:sc= -0.278 (180deg=-0.976) USER MOD Single : A 7 LYS NZ :NH3+ -113:sc= -0.853 (180deg=-2.42!) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ -152:sc= -0.0981 (180deg=-2.08!) USER MOD Single : A 13 LYS NZ :NH3+ 156:sc= 1.24 (180deg=1.12) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0.0129 USER MOD Single : A 18 SER OG : rot -51:sc= 0.431 USER MOD Single : A 19 LYS NZ :NH3+ -151:sc= 1.21 (180deg=1.14) USER MOD Single : A 21 LYS NZ :NH3+ -165:sc= 1.63 (180deg=1.37) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 MET CE :methyl 173:sc= 0 (180deg=-0.107) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= -1.34! USER MOD Single : A 34 TYR OH : rot -22:sc= 0.0345 USER MOD Single : A 37 ASN : amide:sc= -0.201! X(o=-0.2!,f=-0.35) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.0382 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 164:sc= 1.08 (180deg=0.53) USER MOD Single : A 52 LYS NZ :NH3+ -179:sc= 0.371 (180deg=0.37) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ -166:sc= -0.027 (180deg=-0.285) USER MOD Single : A 66 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0521) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.086 -9.157 -7.034 1.00 4.12 N ATOM 2 CA MET A 1 -6.115 -10.252 -7.272 1.00 3.25 C ATOM 3 C MET A 1 -4.857 -10.056 -6.429 1.00 2.66 C ATOM 4 O MET A 1 -4.187 -11.021 -6.069 1.00 3.04 O ATOM 5 CB MET A 1 -5.744 -10.314 -8.759 1.00 3.39 C ATOM 6 CG MET A 1 -4.702 -11.371 -9.089 1.00 3.39 C ATOM 7 SD MET A 1 -4.221 -11.357 -10.827 1.00 4.40 S ATOM 8 CE MET A 1 -2.931 -12.603 -10.828 1.00 4.67 C ATOM 0 H1 MET A 1 -8.004 -9.410 -7.452 1.00 4.12 H new ATOM 0 H2 MET A 1 -7.200 -9.011 -6.011 1.00 4.12 H new ATOM 0 H3 MET A 1 -6.736 -8.281 -7.472 1.00 4.12 H new ATOM 0 HA MET A 1 -6.582 -11.192 -6.980 1.00 3.25 H new ATOM 0 HB2 MET A 1 -6.645 -10.511 -9.340 1.00 3.39 H new ATOM 0 HB3 MET A 1 -5.370 -9.339 -9.071 1.00 3.39 H new ATOM 0 HG2 MET A 1 -3.819 -11.210 -8.471 1.00 3.39 H new ATOM 0 HG3 MET A 1 -5.095 -12.355 -8.833 1.00 3.39 H new ATOM 0 HE1 MET A 1 -2.531 -12.712 -11.836 1.00 4.67 H new ATOM 0 HE2 MET A 1 -2.132 -12.300 -10.151 1.00 4.67 H new ATOM 0 HE3 MET A 1 -3.345 -13.556 -10.497 1.00 4.67 H new ATOM 20 N VAL A 2 -4.558 -8.810 -6.089 1.00 2.26 N ATOM 21 CA VAL A 2 -3.344 -8.508 -5.347 1.00 2.19 C ATOM 22 C VAL A 2 -3.518 -7.255 -4.482 1.00 1.63 C ATOM 23 O VAL A 2 -3.119 -6.147 -4.848 1.00 1.88 O ATOM 24 CB VAL A 2 -2.114 -8.387 -6.289 1.00 2.84 C ATOM 25 CG1 VAL A 2 -2.349 -7.372 -7.396 1.00 3.27 C ATOM 26 CG2 VAL A 2 -0.853 -8.055 -5.501 1.00 3.64 C ATOM 0 H VAL A 2 -5.134 -7.999 -6.313 1.00 2.26 H new ATOM 0 HA VAL A 2 -3.153 -9.345 -4.675 1.00 2.19 H new ATOM 0 HB VAL A 2 -1.972 -9.358 -6.764 1.00 2.84 H new ATOM 0 HG11 VAL A 2 -1.466 -7.317 -8.033 1.00 3.27 H new ATOM 0 HG12 VAL A 2 -3.208 -7.677 -7.993 1.00 3.27 H new ATOM 0 HG13 VAL A 2 -2.541 -6.393 -6.957 1.00 3.27 H new ATOM 0 HG21 VAL A 2 -0.007 -7.976 -6.184 1.00 3.64 H new ATOM 0 HG22 VAL A 2 -0.988 -7.107 -4.980 1.00 3.64 H new ATOM 0 HG23 VAL A 2 -0.660 -8.844 -4.774 1.00 3.64 H new ATOM 36 N LYS A 3 -4.159 -7.442 -3.339 1.00 1.32 N ATOM 37 CA LYS A 3 -4.285 -6.384 -2.352 1.00 1.00 C ATOM 38 C LYS A 3 -3.370 -6.664 -1.169 1.00 1.03 C ATOM 39 O LYS A 3 -2.458 -7.486 -1.271 1.00 1.56 O ATOM 40 CB LYS A 3 -5.743 -6.222 -1.913 1.00 1.17 C ATOM 41 CG LYS A 3 -6.498 -5.226 -2.780 1.00 1.44 C ATOM 42 CD LYS A 3 -7.972 -5.132 -2.420 1.00 1.73 C ATOM 43 CE LYS A 3 -8.764 -6.312 -2.966 1.00 2.34 C ATOM 44 NZ LYS A 3 -10.183 -5.947 -3.220 1.00 3.09 N ATOM 0 H LYS A 3 -4.602 -8.321 -3.072 1.00 1.32 H new ATOM 0 HA LYS A 3 -3.976 -5.440 -2.802 1.00 1.00 H new ATOM 0 HB2 LYS A 3 -6.243 -7.190 -1.955 1.00 1.17 H new ATOM 0 HB3 LYS A 3 -5.773 -5.893 -0.874 1.00 1.17 H new ATOM 0 HG2 LYS A 3 -6.040 -4.242 -2.678 1.00 1.44 H new ATOM 0 HG3 LYS A 3 -6.402 -5.516 -3.826 1.00 1.44 H new ATOM 0 HD2 LYS A 3 -8.080 -5.093 -1.336 1.00 1.73 H new ATOM 0 HD3 LYS A 3 -8.384 -4.204 -2.815 1.00 1.73 H new ATOM 0 HE2 LYS A 3 -8.306 -6.662 -3.891 1.00 2.34 H new ATOM 0 HE3 LYS A 3 -8.721 -7.139 -2.257 1.00 2.34 H new ATOM 0 HZ1 LYS A 3 -10.772 -6.804 -3.192 1.00 3.09 H new ATOM 0 HZ2 LYS A 3 -10.506 -5.281 -2.490 1.00 3.09 H new ATOM 0 HZ3 LYS A 3 -10.265 -5.501 -4.156 1.00 3.09 H new ATOM 58 N VAL A 4 -3.613 -6.007 -0.046 1.00 0.84 N ATOM 59 CA VAL A 4 -2.672 -6.050 1.063 1.00 0.90 C ATOM 60 C VAL A 4 -3.062 -7.105 2.091 1.00 0.82 C ATOM 61 O VAL A 4 -4.168 -7.088 2.625 1.00 0.85 O ATOM 62 CB VAL A 4 -2.563 -4.677 1.757 1.00 1.06 C ATOM 63 CG1 VAL A 4 -1.477 -4.692 2.823 1.00 1.46 C ATOM 64 CG2 VAL A 4 -2.303 -3.581 0.734 1.00 1.31 C ATOM 0 H VAL A 4 -4.446 -5.442 0.122 1.00 0.84 H new ATOM 0 HA VAL A 4 -1.703 -6.315 0.641 1.00 0.90 H new ATOM 0 HB VAL A 4 -3.513 -4.467 2.249 1.00 1.06 H new ATOM 0 HG11 VAL A 4 -1.420 -3.713 3.298 1.00 1.46 H new ATOM 0 HG12 VAL A 4 -1.714 -5.446 3.574 1.00 1.46 H new ATOM 0 HG13 VAL A 4 -0.518 -4.928 2.362 1.00 1.46 H new ATOM 0 HG21 VAL A 4 -2.229 -2.619 1.242 1.00 1.31 H new ATOM 0 HG22 VAL A 4 -1.370 -3.787 0.209 1.00 1.31 H new ATOM 0 HG23 VAL A 4 -3.123 -3.550 0.017 1.00 1.31 H new ATOM 74 N LYS A 5 -2.131 -8.013 2.359 1.00 0.79 N ATOM 75 CA LYS A 5 -2.344 -9.068 3.345 1.00 0.77 C ATOM 76 C LYS A 5 -1.527 -8.786 4.596 1.00 0.78 C ATOM 77 O LYS A 5 -0.750 -9.636 5.053 1.00 1.45 O ATOM 78 CB LYS A 5 -1.969 -10.449 2.797 1.00 0.93 C ATOM 79 CG LYS A 5 -2.764 -10.891 1.579 1.00 1.38 C ATOM 80 CD LYS A 5 -2.105 -10.447 0.283 1.00 1.91 C ATOM 81 CE LYS A 5 -2.738 -11.122 -0.922 1.00 2.43 C ATOM 82 NZ LYS A 5 -2.756 -12.602 -0.772 1.00 2.70 N ATOM 0 H LYS A 5 -1.218 -8.040 1.906 1.00 0.79 H new ATOM 0 HA LYS A 5 -3.407 -9.076 3.586 1.00 0.77 H new ATOM 0 HB2 LYS A 5 -0.910 -10.447 2.540 1.00 0.93 H new ATOM 0 HB3 LYS A 5 -2.104 -11.187 3.588 1.00 0.93 H new ATOM 0 HG2 LYS A 5 -2.862 -11.977 1.583 1.00 1.38 H new ATOM 0 HG3 LYS A 5 -3.772 -10.479 1.634 1.00 1.38 H new ATOM 0 HD2 LYS A 5 -2.190 -9.365 0.182 1.00 1.91 H new ATOM 0 HD3 LYS A 5 -1.041 -10.681 0.316 1.00 1.91 H new ATOM 0 HE2 LYS A 5 -3.757 -10.756 -1.052 1.00 2.43 H new ATOM 0 HE3 LYS A 5 -2.186 -10.853 -1.822 1.00 2.43 H new ATOM 0 HZ1 LYS A 5 -2.782 -13.046 -1.712 1.00 2.70 H new ATOM 0 HZ2 LYS A 5 -1.900 -12.910 -0.267 1.00 2.70 H new ATOM 0 HZ3 LYS A 5 -3.598 -12.886 -0.231 1.00 2.70 H new ATOM 96 N PHE A 6 -1.683 -7.581 5.129 1.00 0.58 N ATOM 97 CA PHE A 6 -0.999 -7.183 6.350 1.00 0.57 C ATOM 98 C PHE A 6 -1.362 -8.100 7.520 1.00 0.58 C ATOM 99 O PHE A 6 -2.165 -9.025 7.396 1.00 0.85 O ATOM 100 CB PHE A 6 -1.331 -5.727 6.694 1.00 0.59 C ATOM 101 CG PHE A 6 -2.737 -5.503 7.194 1.00 0.58 C ATOM 102 CD1 PHE A 6 -3.805 -5.448 6.314 1.00 0.60 C ATOM 103 CD2 PHE A 6 -2.984 -5.342 8.549 1.00 0.65 C ATOM 104 CE1 PHE A 6 -5.089 -5.238 6.777 1.00 0.65 C ATOM 105 CE2 PHE A 6 -4.268 -5.134 9.015 1.00 0.70 C ATOM 106 CZ PHE A 6 -5.321 -5.083 8.127 1.00 0.67 C ATOM 0 H PHE A 6 -2.282 -6.858 4.730 1.00 0.58 H new ATOM 0 HA PHE A 6 0.073 -7.273 6.176 1.00 0.57 H new ATOM 0 HB2 PHE A 6 -0.630 -5.378 7.452 1.00 0.59 H new ATOM 0 HB3 PHE A 6 -1.173 -5.113 5.807 1.00 0.59 H new ATOM 0 HD1 PHE A 6 -3.632 -5.571 5.255 1.00 0.60 H new ATOM 0 HD2 PHE A 6 -2.162 -5.380 9.249 1.00 0.65 H new ATOM 0 HE1 PHE A 6 -5.913 -5.195 6.080 1.00 0.65 H new ATOM 0 HE2 PHE A 6 -4.446 -5.012 10.073 1.00 0.70 H new ATOM 0 HZ PHE A 6 -6.326 -4.922 8.488 1.00 0.67 H new ATOM 116 N LYS A 7 -0.754 -7.844 8.657 1.00 0.53 N ATOM 117 CA LYS A 7 -0.965 -8.676 9.822 1.00 0.57 C ATOM 118 C LYS A 7 -1.627 -7.875 10.928 1.00 0.59 C ATOM 119 O LYS A 7 -1.203 -6.758 11.237 1.00 0.63 O ATOM 120 CB LYS A 7 0.361 -9.273 10.313 1.00 0.70 C ATOM 121 CG LYS A 7 0.990 -10.280 9.352 1.00 1.34 C ATOM 122 CD LYS A 7 1.587 -9.610 8.120 1.00 1.71 C ATOM 123 CE LYS A 7 2.124 -10.627 7.123 1.00 2.66 C ATOM 124 NZ LYS A 7 1.066 -11.555 6.641 1.00 3.64 N ATOM 0 H LYS A 7 -0.109 -7.067 8.800 1.00 0.53 H new ATOM 0 HA LYS A 7 -1.625 -9.497 9.542 1.00 0.57 H new ATOM 0 HB2 LYS A 7 1.069 -8.463 10.486 1.00 0.70 H new ATOM 0 HB3 LYS A 7 0.193 -9.761 11.273 1.00 0.70 H new ATOM 0 HG2 LYS A 7 1.768 -10.838 9.872 1.00 1.34 H new ATOM 0 HG3 LYS A 7 0.235 -11.002 9.040 1.00 1.34 H new ATOM 0 HD2 LYS A 7 0.827 -8.995 7.637 1.00 1.71 H new ATOM 0 HD3 LYS A 7 2.392 -8.941 8.425 1.00 1.71 H new ATOM 0 HE2 LYS A 7 2.561 -10.104 6.272 1.00 2.66 H new ATOM 0 HE3 LYS A 7 2.924 -11.202 7.589 1.00 2.66 H new ATOM 0 HZ1 LYS A 7 1.264 -12.516 6.986 1.00 3.64 H new ATOM 0 HZ2 LYS A 7 0.141 -11.242 6.998 1.00 3.64 H new ATOM 0 HZ3 LYS A 7 1.053 -11.556 5.601 1.00 3.64 H new ATOM 138 N TYR A 8 -2.657 -8.456 11.522 1.00 0.61 N ATOM 139 CA TYR A 8 -3.390 -7.819 12.596 1.00 0.67 C ATOM 140 C TYR A 8 -3.736 -8.880 13.634 1.00 0.85 C ATOM 141 O TYR A 8 -4.048 -10.007 13.269 1.00 0.86 O ATOM 142 CB TYR A 8 -4.657 -7.147 12.058 1.00 0.63 C ATOM 143 CG TYR A 8 -5.416 -6.353 13.096 1.00 0.71 C ATOM 144 CD1 TYR A 8 -4.859 -5.219 13.674 1.00 0.88 C ATOM 145 CD2 TYR A 8 -6.688 -6.737 13.499 1.00 0.82 C ATOM 146 CE1 TYR A 8 -5.547 -4.493 14.626 1.00 1.03 C ATOM 147 CE2 TYR A 8 -7.383 -6.015 14.450 1.00 0.97 C ATOM 148 CZ TYR A 8 -6.808 -4.894 15.009 1.00 1.03 C ATOM 149 OH TYR A 8 -7.496 -4.172 15.957 1.00 1.23 O ATOM 0 H TYR A 8 -3.005 -9.381 11.271 1.00 0.61 H new ATOM 0 HA TYR A 8 -2.779 -7.042 13.055 1.00 0.67 H new ATOM 0 HB2 TYR A 8 -4.385 -6.485 11.236 1.00 0.63 H new ATOM 0 HB3 TYR A 8 -5.316 -7.912 11.646 1.00 0.63 H new ATOM 0 HD1 TYR A 8 -3.872 -4.900 13.374 1.00 0.88 H new ATOM 0 HD2 TYR A 8 -7.141 -7.614 13.062 1.00 0.82 H new ATOM 0 HE1 TYR A 8 -5.099 -3.615 15.068 1.00 1.03 H new ATOM 0 HE2 TYR A 8 -8.371 -6.327 14.754 1.00 0.97 H new ATOM 0 HH TYR A 8 -8.370 -4.587 16.113 1.00 1.23 H new ATOM 159 N LYS A 9 -3.646 -8.510 14.911 1.00 1.11 N ATOM 160 CA LYS A 9 -3.852 -9.425 16.049 1.00 1.36 C ATOM 161 C LYS A 9 -3.231 -10.812 15.834 1.00 1.30 C ATOM 162 O LYS A 9 -3.866 -11.847 16.041 1.00 1.73 O ATOM 163 CB LYS A 9 -5.326 -9.514 16.496 1.00 1.70 C ATOM 164 CG LYS A 9 -6.366 -9.656 15.390 1.00 1.73 C ATOM 165 CD LYS A 9 -6.300 -11.014 14.722 1.00 2.19 C ATOM 166 CE LYS A 9 -7.093 -12.082 15.467 1.00 2.65 C ATOM 167 NZ LYS A 9 -6.494 -12.423 16.784 1.00 2.90 N ATOM 0 H LYS A 9 -3.425 -7.556 15.195 1.00 1.11 H new ATOM 0 HA LYS A 9 -3.305 -8.972 16.876 1.00 1.36 H new ATOM 0 HB2 LYS A 9 -5.427 -10.364 17.170 1.00 1.70 H new ATOM 0 HB3 LYS A 9 -5.562 -8.620 17.073 1.00 1.70 H new ATOM 0 HG2 LYS A 9 -7.362 -9.505 15.807 1.00 1.73 H new ATOM 0 HG3 LYS A 9 -6.211 -8.877 14.644 1.00 1.73 H new ATOM 0 HD2 LYS A 9 -6.680 -10.931 13.704 1.00 2.19 H new ATOM 0 HD3 LYS A 9 -5.258 -11.327 14.649 1.00 2.19 H new ATOM 0 HE2 LYS A 9 -8.115 -11.733 15.616 1.00 2.65 H new ATOM 0 HE3 LYS A 9 -7.150 -12.981 14.854 1.00 2.65 H new ATOM 0 HZ1 LYS A 9 -6.733 -13.405 17.030 1.00 2.90 H new ATOM 0 HZ2 LYS A 9 -5.460 -12.321 16.732 1.00 2.90 H new ATOM 0 HZ3 LYS A 9 -6.869 -11.782 17.512 1.00 2.90 H new ATOM 181 N GLY A 10 -1.957 -10.806 15.472 1.00 1.10 N ATOM 182 CA GLY A 10 -1.208 -12.038 15.250 1.00 1.12 C ATOM 183 C GLY A 10 -1.680 -12.865 14.061 1.00 0.98 C ATOM 184 O GLY A 10 -1.154 -13.953 13.816 1.00 1.11 O ATOM 0 H GLY A 10 -1.415 -9.955 15.324 1.00 1.10 H new ATOM 0 HA2 GLY A 10 -0.157 -11.787 15.106 1.00 1.12 H new ATOM 0 HA3 GLY A 10 -1.269 -12.651 16.149 1.00 1.12 H new ATOM 188 N GLU A 11 -2.649 -12.365 13.315 1.00 0.95 N ATOM 189 CA GLU A 11 -3.228 -13.114 12.211 1.00 1.20 C ATOM 190 C GLU A 11 -3.083 -12.340 10.902 1.00 1.00 C ATOM 191 O GLU A 11 -2.883 -11.126 10.905 1.00 1.38 O ATOM 192 CB GLU A 11 -4.703 -13.400 12.519 1.00 1.69 C ATOM 193 CG GLU A 11 -5.404 -14.275 11.491 1.00 2.37 C ATOM 194 CD GLU A 11 -6.804 -14.654 11.915 1.00 3.21 C ATOM 195 OE1 GLU A 11 -7.731 -13.848 11.691 1.00 3.60 O ATOM 196 OE2 GLU A 11 -6.991 -15.755 12.469 1.00 3.81 O ATOM 0 H GLU A 11 -3.054 -11.439 13.454 1.00 0.95 H new ATOM 0 HA GLU A 11 -2.698 -14.059 12.094 1.00 1.20 H new ATOM 0 HB2 GLU A 11 -4.771 -13.882 13.494 1.00 1.69 H new ATOM 0 HB3 GLU A 11 -5.236 -12.452 12.594 1.00 1.69 H new ATOM 0 HG2 GLU A 11 -5.446 -13.748 10.538 1.00 2.37 H new ATOM 0 HG3 GLU A 11 -4.819 -15.180 11.329 1.00 2.37 H new ATOM 203 N GLU A 12 -3.168 -13.051 9.790 1.00 0.98 N ATOM 204 CA GLU A 12 -3.109 -12.420 8.484 1.00 0.87 C ATOM 205 C GLU A 12 -4.473 -11.857 8.123 1.00 0.79 C ATOM 206 O GLU A 12 -5.472 -12.580 8.089 1.00 0.89 O ATOM 207 CB GLU A 12 -2.641 -13.410 7.421 1.00 1.13 C ATOM 208 CG GLU A 12 -1.226 -13.906 7.652 1.00 1.80 C ATOM 209 CD GLU A 12 -0.757 -14.855 6.575 1.00 2.11 C ATOM 210 OE1 GLU A 12 -1.052 -16.065 6.672 1.00 2.30 O ATOM 211 OE2 GLU A 12 -0.106 -14.389 5.617 1.00 2.43 O ATOM 0 H GLU A 12 -3.278 -14.065 9.766 1.00 0.98 H new ATOM 0 HA GLU A 12 -2.386 -11.605 8.523 1.00 0.87 H new ATOM 0 HB2 GLU A 12 -3.320 -14.262 7.403 1.00 1.13 H new ATOM 0 HB3 GLU A 12 -2.698 -12.936 6.441 1.00 1.13 H new ATOM 0 HG2 GLU A 12 -0.549 -13.053 7.698 1.00 1.80 H new ATOM 0 HG3 GLU A 12 -1.174 -14.406 8.619 1.00 1.80 H new ATOM 218 N LYS A 13 -4.507 -10.569 7.851 1.00 0.71 N ATOM 219 CA LYS A 13 -5.746 -9.862 7.623 1.00 0.75 C ATOM 220 C LYS A 13 -5.566 -8.948 6.421 1.00 0.73 C ATOM 221 O LYS A 13 -4.552 -8.273 6.301 1.00 1.21 O ATOM 222 CB LYS A 13 -6.121 -9.086 8.892 1.00 0.96 C ATOM 223 CG LYS A 13 -7.263 -8.106 8.720 1.00 0.86 C ATOM 224 CD LYS A 13 -7.847 -7.693 10.061 1.00 1.44 C ATOM 225 CE LYS A 13 -8.995 -6.706 9.899 1.00 2.02 C ATOM 226 NZ LYS A 13 -10.194 -7.317 9.260 1.00 2.73 N ATOM 0 H LYS A 13 -3.674 -9.984 7.782 1.00 0.71 H new ATOM 0 HA LYS A 13 -6.562 -10.551 7.406 1.00 0.75 H new ATOM 0 HB2 LYS A 13 -6.387 -9.799 9.672 1.00 0.96 H new ATOM 0 HB3 LYS A 13 -5.243 -8.543 9.242 1.00 0.96 H new ATOM 0 HG2 LYS A 13 -6.909 -7.223 8.188 1.00 0.86 H new ATOM 0 HG3 LYS A 13 -8.042 -8.557 8.106 1.00 0.86 H new ATOM 0 HD2 LYS A 13 -8.200 -8.577 10.591 1.00 1.44 H new ATOM 0 HD3 LYS A 13 -7.066 -7.244 10.675 1.00 1.44 H new ATOM 0 HE2 LYS A 13 -9.271 -6.312 10.877 1.00 2.02 H new ATOM 0 HE3 LYS A 13 -8.660 -5.861 9.298 1.00 2.02 H new ATOM 0 HZ1 LYS A 13 -11.043 -6.779 9.528 1.00 2.73 H new ATOM 0 HZ2 LYS A 13 -10.084 -7.298 8.226 1.00 2.73 H new ATOM 0 HZ3 LYS A 13 -10.294 -8.302 9.579 1.00 2.73 H new ATOM 240 N GLU A 14 -6.528 -8.950 5.521 1.00 0.55 N ATOM 241 CA GLU A 14 -6.390 -8.240 4.264 1.00 0.54 C ATOM 242 C GLU A 14 -7.165 -6.932 4.286 1.00 0.65 C ATOM 243 O GLU A 14 -8.239 -6.844 4.885 1.00 0.88 O ATOM 244 CB GLU A 14 -6.856 -9.121 3.092 1.00 0.60 C ATOM 245 CG GLU A 14 -8.301 -9.605 3.196 1.00 1.38 C ATOM 246 CD GLU A 14 -8.505 -10.673 4.254 1.00 1.90 C ATOM 247 OE1 GLU A 14 -8.349 -11.873 3.937 1.00 2.38 O ATOM 248 OE2 GLU A 14 -8.821 -10.319 5.409 1.00 2.39 O ATOM 0 H GLU A 14 -7.417 -9.437 5.636 1.00 0.55 H new ATOM 0 HA GLU A 14 -5.335 -8.005 4.125 1.00 0.54 H new ATOM 0 HB2 GLU A 14 -6.740 -8.560 2.165 1.00 0.60 H new ATOM 0 HB3 GLU A 14 -6.200 -9.989 3.024 1.00 0.60 H new ATOM 0 HG2 GLU A 14 -8.946 -8.755 3.420 1.00 1.38 H new ATOM 0 HG3 GLU A 14 -8.615 -9.998 2.229 1.00 1.38 H new ATOM 255 N VAL A 15 -6.621 -5.918 3.638 1.00 0.68 N ATOM 256 CA VAL A 15 -7.275 -4.628 3.575 1.00 0.82 C ATOM 257 C VAL A 15 -7.630 -4.280 2.135 1.00 0.72 C ATOM 258 O VAL A 15 -6.798 -4.370 1.227 1.00 1.19 O ATOM 259 CB VAL A 15 -6.408 -3.508 4.196 1.00 1.20 C ATOM 260 CG1 VAL A 15 -5.048 -3.418 3.527 1.00 1.53 C ATOM 261 CG2 VAL A 15 -7.127 -2.176 4.113 1.00 2.11 C ATOM 0 H VAL A 15 -5.727 -5.965 3.148 1.00 0.68 H new ATOM 0 HA VAL A 15 -8.190 -4.700 4.162 1.00 0.82 H new ATOM 0 HB VAL A 15 -6.245 -3.758 5.244 1.00 1.20 H new ATOM 0 HG11 VAL A 15 -4.467 -2.620 3.990 1.00 1.53 H new ATOM 0 HG12 VAL A 15 -4.521 -4.365 3.644 1.00 1.53 H new ATOM 0 HG13 VAL A 15 -5.178 -3.204 2.466 1.00 1.53 H new ATOM 0 HG21 VAL A 15 -6.504 -1.398 4.554 1.00 2.11 H new ATOM 0 HG22 VAL A 15 -7.325 -1.934 3.069 1.00 2.11 H new ATOM 0 HG23 VAL A 15 -8.070 -2.237 4.656 1.00 2.11 H new ATOM 271 N ASP A 16 -8.890 -3.938 1.932 1.00 0.76 N ATOM 272 CA ASP A 16 -9.380 -3.540 0.623 1.00 0.98 C ATOM 273 C ASP A 16 -8.996 -2.090 0.337 1.00 0.91 C ATOM 274 O ASP A 16 -8.676 -1.332 1.251 1.00 1.57 O ATOM 275 CB ASP A 16 -10.899 -3.705 0.577 1.00 1.33 C ATOM 276 CG ASP A 16 -11.460 -3.628 -0.825 1.00 1.87 C ATOM 277 OD1 ASP A 16 -11.729 -2.506 -1.292 1.00 2.64 O ATOM 278 OD2 ASP A 16 -11.624 -4.682 -1.465 1.00 2.08 O ATOM 0 H ASP A 16 -9.599 -3.928 2.665 1.00 0.76 H new ATOM 0 HA ASP A 16 -8.928 -4.174 -0.140 1.00 0.98 H new ATOM 0 HB2 ASP A 16 -11.168 -4.665 1.018 1.00 1.33 H new ATOM 0 HB3 ASP A 16 -11.362 -2.932 1.190 1.00 1.33 H new ATOM 283 N THR A 17 -9.020 -1.712 -0.931 1.00 0.98 N ATOM 284 CA THR A 17 -8.725 -0.344 -1.325 1.00 0.92 C ATOM 285 C THR A 17 -9.842 0.597 -0.888 1.00 0.85 C ATOM 286 O THR A 17 -9.613 1.785 -0.658 1.00 1.17 O ATOM 287 CB THR A 17 -8.502 -0.238 -2.844 1.00 1.36 C ATOM 288 OG1 THR A 17 -9.526 -0.963 -3.540 1.00 1.66 O ATOM 289 CG2 THR A 17 -7.136 -0.783 -3.231 1.00 1.86 C ATOM 0 H THR A 17 -9.241 -2.336 -1.707 1.00 0.98 H new ATOM 0 HA THR A 17 -7.803 -0.047 -0.825 1.00 0.92 H new ATOM 0 HB THR A 17 -8.547 0.815 -3.123 1.00 1.36 H new ATOM 0 HG1 THR A 17 -9.379 -0.890 -4.506 1.00 1.66 H new ATOM 0 HG21 THR A 17 -7.002 -0.697 -4.309 1.00 1.86 H new ATOM 0 HG22 THR A 17 -6.359 -0.212 -2.722 1.00 1.86 H new ATOM 0 HG23 THR A 17 -7.066 -1.831 -2.939 1.00 1.86 H new ATOM 297 N SER A 18 -11.050 0.057 -0.760 1.00 0.73 N ATOM 298 CA SER A 18 -12.167 0.798 -0.196 1.00 0.86 C ATOM 299 C SER A 18 -12.132 0.683 1.331 1.00 0.82 C ATOM 300 O SER A 18 -13.171 0.632 1.993 1.00 1.13 O ATOM 301 CB SER A 18 -13.492 0.265 -0.756 1.00 1.16 C ATOM 302 OG SER A 18 -14.592 1.065 -0.348 1.00 1.81 O ATOM 0 H SER A 18 -11.278 -0.896 -1.042 1.00 0.73 H new ATOM 0 HA SER A 18 -12.085 1.849 -0.471 1.00 0.86 H new ATOM 0 HB2 SER A 18 -13.444 0.240 -1.845 1.00 1.16 H new ATOM 0 HB3 SER A 18 -13.643 -0.761 -0.420 1.00 1.16 H new ATOM 0 HG SER A 18 -14.563 1.189 0.624 1.00 1.81 H new ATOM 308 N LYS A 19 -10.919 0.677 1.880 1.00 0.68 N ATOM 309 CA LYS A 19 -10.709 0.419 3.303 1.00 0.75 C ATOM 310 C LYS A 19 -9.373 0.961 3.773 1.00 0.68 C ATOM 311 O LYS A 19 -8.780 0.392 4.678 1.00 1.06 O ATOM 312 CB LYS A 19 -10.721 -1.074 3.653 1.00 0.99 C ATOM 313 CG LYS A 19 -12.061 -1.775 3.517 1.00 1.25 C ATOM 314 CD LYS A 19 -12.027 -3.127 4.213 1.00 1.92 C ATOM 315 CE LYS A 19 -13.400 -3.769 4.283 1.00 2.22 C ATOM 316 NZ LYS A 19 -13.386 -5.000 5.117 1.00 3.07 N ATOM 0 H LYS A 19 -10.061 0.849 1.356 1.00 0.68 H new ATOM 0 HA LYS A 19 -11.540 0.920 3.799 1.00 0.75 H new ATOM 0 HB2 LYS A 19 -10.000 -1.583 3.014 1.00 0.99 H new ATOM 0 HB3 LYS A 19 -10.375 -1.190 4.680 1.00 0.99 H new ATOM 0 HG2 LYS A 19 -12.847 -1.156 3.949 1.00 1.25 H new ATOM 0 HG3 LYS A 19 -12.303 -1.908 2.463 1.00 1.25 H new ATOM 0 HD2 LYS A 19 -11.344 -3.790 3.682 1.00 1.92 H new ATOM 0 HD3 LYS A 19 -11.633 -3.005 5.222 1.00 1.92 H new ATOM 0 HE2 LYS A 19 -14.115 -3.057 4.696 1.00 2.22 H new ATOM 0 HE3 LYS A 19 -13.740 -4.014 3.277 1.00 2.22 H new ATOM 0 HZ1 LYS A 19 -14.118 -5.657 4.779 1.00 3.07 H new ATOM 0 HZ2 LYS A 19 -12.454 -5.456 5.048 1.00 3.07 H new ATOM 0 HZ3 LYS A 19 -13.576 -4.750 6.108 1.00 3.07 H new ATOM 330 N ILE A 20 -8.885 2.043 3.211 1.00 0.74 N ATOM 331 CA ILE A 20 -7.573 2.526 3.588 1.00 0.71 C ATOM 332 C ILE A 20 -7.700 3.996 3.975 1.00 0.78 C ATOM 333 O ILE A 20 -8.316 4.790 3.263 1.00 1.22 O ATOM 334 CB ILE A 20 -6.539 2.307 2.442 1.00 1.02 C ATOM 335 CG1 ILE A 20 -5.094 2.574 2.912 1.00 1.33 C ATOM 336 CG2 ILE A 20 -6.875 3.158 1.222 1.00 1.79 C ATOM 337 CD1 ILE A 20 -4.696 4.037 2.978 1.00 1.72 C ATOM 0 H ILE A 20 -9.365 2.598 2.503 1.00 0.74 H new ATOM 0 HA ILE A 20 -7.198 1.962 4.442 1.00 0.71 H new ATOM 0 HB ILE A 20 -6.603 1.258 2.153 1.00 1.02 H new ATOM 0 HG12 ILE A 20 -4.963 2.133 3.900 1.00 1.33 H new ATOM 0 HG13 ILE A 20 -4.409 2.058 2.240 1.00 1.33 H new ATOM 0 HG21 ILE A 20 -6.135 2.982 0.441 1.00 1.79 H new ATOM 0 HG22 ILE A 20 -7.864 2.889 0.852 1.00 1.79 H new ATOM 0 HG23 ILE A 20 -6.866 4.212 1.500 1.00 1.79 H new ATOM 0 HD11 ILE A 20 -3.664 4.118 3.319 1.00 1.72 H new ATOM 0 HD12 ILE A 20 -4.788 4.484 1.988 1.00 1.72 H new ATOM 0 HD13 ILE A 20 -5.350 4.561 3.675 1.00 1.72 H new ATOM 349 N LYS A 21 -7.152 4.340 5.126 1.00 0.62 N ATOM 350 CA LYS A 21 -7.342 5.662 5.693 1.00 0.88 C ATOM 351 C LYS A 21 -6.142 6.554 5.399 1.00 0.78 C ATOM 352 O LYS A 21 -6.241 7.502 4.618 1.00 1.17 O ATOM 353 CB LYS A 21 -7.568 5.533 7.197 1.00 1.13 C ATOM 354 CG LYS A 21 -8.033 6.809 7.877 1.00 1.52 C ATOM 355 CD LYS A 21 -9.337 6.581 8.628 1.00 1.92 C ATOM 356 CE LYS A 21 -9.223 5.440 9.631 1.00 2.23 C ATOM 357 NZ LYS A 21 -10.541 5.088 10.220 1.00 2.46 N ATOM 0 H LYS A 21 -6.570 3.719 5.688 1.00 0.62 H new ATOM 0 HA LYS A 21 -8.216 6.127 5.237 1.00 0.88 H new ATOM 0 HB2 LYS A 21 -8.307 4.752 7.375 1.00 1.13 H new ATOM 0 HB3 LYS A 21 -6.639 5.205 7.664 1.00 1.13 H new ATOM 0 HG2 LYS A 21 -7.266 7.157 8.569 1.00 1.52 H new ATOM 0 HG3 LYS A 21 -8.170 7.593 7.133 1.00 1.52 H new ATOM 0 HD2 LYS A 21 -9.620 7.495 9.149 1.00 1.92 H new ATOM 0 HD3 LYS A 21 -10.132 6.360 7.916 1.00 1.92 H new ATOM 0 HE2 LYS A 21 -8.800 4.565 9.139 1.00 2.23 H new ATOM 0 HE3 LYS A 21 -8.534 5.723 10.426 1.00 2.23 H new ATOM 0 HZ1 LYS A 21 -10.397 4.499 11.065 1.00 2.46 H new ATOM 0 HZ2 LYS A 21 -11.046 5.958 10.485 1.00 2.46 H new ATOM 0 HZ3 LYS A 21 -11.103 4.560 9.522 1.00 2.46 H new ATOM 371 N LYS A 22 -5.012 6.250 6.013 1.00 0.67 N ATOM 372 CA LYS A 22 -3.790 6.991 5.754 1.00 0.70 C ATOM 373 C LYS A 22 -2.613 6.029 5.657 1.00 0.51 C ATOM 374 O LYS A 22 -2.583 5.009 6.342 1.00 0.50 O ATOM 375 CB LYS A 22 -3.549 8.032 6.854 1.00 1.07 C ATOM 376 CG LYS A 22 -2.338 8.920 6.606 1.00 1.44 C ATOM 377 CD LYS A 22 -2.209 10.003 7.665 1.00 2.03 C ATOM 378 CE LYS A 22 -1.006 10.897 7.405 1.00 2.77 C ATOM 379 NZ LYS A 22 -0.936 12.026 8.370 1.00 3.08 N ATOM 0 H LYS A 22 -4.915 5.496 6.693 1.00 0.67 H new ATOM 0 HA LYS A 22 -3.891 7.519 4.806 1.00 0.70 H new ATOM 0 HB2 LYS A 22 -4.435 8.660 6.947 1.00 1.07 H new ATOM 0 HB3 LYS A 22 -3.421 7.517 7.806 1.00 1.07 H new ATOM 0 HG2 LYS A 22 -1.435 8.310 6.598 1.00 1.44 H new ATOM 0 HG3 LYS A 22 -2.420 9.381 5.622 1.00 1.44 H new ATOM 0 HD2 LYS A 22 -3.116 10.607 7.681 1.00 2.03 H new ATOM 0 HD3 LYS A 22 -2.115 9.542 8.648 1.00 2.03 H new ATOM 0 HE2 LYS A 22 -0.093 10.305 7.471 1.00 2.77 H new ATOM 0 HE3 LYS A 22 -1.058 11.290 6.390 1.00 2.77 H new ATOM 0 HZ1 LYS A 22 -0.103 12.612 8.159 1.00 3.08 H new ATOM 0 HZ2 LYS A 22 -1.796 12.605 8.289 1.00 3.08 H new ATOM 0 HZ3 LYS A 22 -0.860 11.652 9.337 1.00 3.08 H new ATOM 393 N VAL A 23 -1.658 6.345 4.799 1.00 0.49 N ATOM 394 CA VAL A 23 -0.483 5.509 4.628 1.00 0.49 C ATOM 395 C VAL A 23 0.780 6.355 4.749 1.00 0.51 C ATOM 396 O VAL A 23 0.848 7.466 4.220 1.00 0.63 O ATOM 397 CB VAL A 23 -0.507 4.761 3.271 1.00 0.64 C ATOM 398 CG1 VAL A 23 -0.519 5.735 2.100 1.00 1.56 C ATOM 399 CG2 VAL A 23 0.662 3.796 3.161 1.00 1.29 C ATOM 0 H VAL A 23 -1.674 7.177 4.209 1.00 0.49 H new ATOM 0 HA VAL A 23 -0.487 4.756 5.416 1.00 0.49 H new ATOM 0 HB VAL A 23 -1.430 4.182 3.230 1.00 0.64 H new ATOM 0 HG11 VAL A 23 -0.536 5.178 1.163 1.00 1.56 H new ATOM 0 HG12 VAL A 23 -1.405 6.367 2.162 1.00 1.56 H new ATOM 0 HG13 VAL A 23 0.375 6.358 2.136 1.00 1.56 H new ATOM 0 HG21 VAL A 23 0.622 3.284 2.200 1.00 1.29 H new ATOM 0 HG22 VAL A 23 1.598 4.348 3.239 1.00 1.29 H new ATOM 0 HG23 VAL A 23 0.605 3.063 3.965 1.00 1.29 H new ATOM 409 N ALA A 24 1.762 5.838 5.468 1.00 0.45 N ATOM 410 CA ALA A 24 2.997 6.560 5.706 1.00 0.51 C ATOM 411 C ALA A 24 4.191 5.623 5.637 1.00 0.46 C ATOM 412 O ALA A 24 4.182 4.532 6.216 1.00 0.44 O ATOM 413 CB ALA A 24 2.954 7.270 7.053 1.00 0.65 C ATOM 0 H ALA A 24 1.725 4.914 5.899 1.00 0.45 H new ATOM 0 HA ALA A 24 3.106 7.312 4.924 1.00 0.51 H new ATOM 0 HB1 ALA A 24 3.890 7.806 7.212 1.00 0.65 H new ATOM 0 HB2 ALA A 24 2.125 7.977 7.065 1.00 0.65 H new ATOM 0 HB3 ALA A 24 2.817 6.536 7.847 1.00 0.65 H new ATOM 419 N ARG A 25 5.211 6.050 4.919 1.00 0.60 N ATOM 420 CA ARG A 25 6.423 5.269 4.775 1.00 0.65 C ATOM 421 C ARG A 25 7.412 5.667 5.860 1.00 0.67 C ATOM 422 O ARG A 25 7.611 6.852 6.130 1.00 0.76 O ATOM 423 CB ARG A 25 7.016 5.492 3.385 1.00 0.86 C ATOM 424 CG ARG A 25 7.830 4.318 2.873 1.00 1.27 C ATOM 425 CD ARG A 25 8.159 4.488 1.400 1.00 1.80 C ATOM 426 NE ARG A 25 8.798 3.306 0.830 1.00 2.24 N ATOM 427 CZ ARG A 25 9.046 3.155 -0.468 1.00 2.94 C ATOM 428 NH1 ARG A 25 8.632 4.071 -1.336 1.00 3.40 N ATOM 429 NH2 ARG A 25 9.687 2.083 -0.903 1.00 3.61 N ATOM 0 H ARG A 25 5.224 6.941 4.423 1.00 0.60 H new ATOM 0 HA ARG A 25 6.197 4.208 4.884 1.00 0.65 H new ATOM 0 HB2 ARG A 25 6.207 5.695 2.683 1.00 0.86 H new ATOM 0 HB3 ARG A 25 7.649 6.379 3.408 1.00 0.86 H new ATOM 0 HG2 ARG A 25 8.752 4.231 3.448 1.00 1.27 H new ATOM 0 HG3 ARG A 25 7.274 3.392 3.021 1.00 1.27 H new ATOM 0 HD2 ARG A 25 7.243 4.703 0.849 1.00 1.80 H new ATOM 0 HD3 ARG A 25 8.816 5.348 1.275 1.00 1.80 H new ATOM 0 HE ARG A 25 9.070 2.553 1.463 1.00 2.24 H new ATOM 0 HH11 ARG A 25 8.123 4.892 -1.008 1.00 3.40 H new ATOM 0 HH12 ARG A 25 8.823 3.954 -2.331 1.00 3.40 H new ATOM 0 HH21 ARG A 25 9.993 1.369 -0.242 1.00 3.61 H new ATOM 0 HH22 ARG A 25 9.875 1.971 -1.899 1.00 3.61 H new ATOM 443 N VAL A 26 8.041 4.672 6.463 1.00 0.70 N ATOM 444 CA VAL A 26 8.868 4.908 7.634 1.00 0.81 C ATOM 445 C VAL A 26 10.344 4.878 7.261 1.00 0.92 C ATOM 446 O VAL A 26 10.965 5.921 7.072 1.00 1.51 O ATOM 447 CB VAL A 26 8.588 3.874 8.748 1.00 0.95 C ATOM 448 CG1 VAL A 26 9.256 4.289 10.048 1.00 1.32 C ATOM 449 CG2 VAL A 26 7.090 3.693 8.951 1.00 1.07 C ATOM 0 H VAL A 26 7.995 3.698 6.163 1.00 0.70 H new ATOM 0 HA VAL A 26 8.614 5.896 8.017 1.00 0.81 H new ATOM 0 HB VAL A 26 9.010 2.918 8.437 1.00 0.95 H new ATOM 0 HG11 VAL A 26 9.046 3.547 10.818 1.00 1.32 H new ATOM 0 HG12 VAL A 26 10.333 4.360 9.897 1.00 1.32 H new ATOM 0 HG13 VAL A 26 8.869 5.258 10.363 1.00 1.32 H new ATOM 0 HG21 VAL A 26 6.916 2.961 9.740 1.00 1.07 H new ATOM 0 HG22 VAL A 26 6.644 4.646 9.235 1.00 1.07 H new ATOM 0 HG23 VAL A 26 6.637 3.342 8.024 1.00 1.07 H new ATOM 459 N GLY A 27 10.893 3.682 7.150 1.00 0.93 N ATOM 460 CA GLY A 27 12.279 3.530 6.760 1.00 0.96 C ATOM 461 C GLY A 27 12.536 2.174 6.150 1.00 0.89 C ATOM 462 O GLY A 27 13.237 2.056 5.143 1.00 0.98 O ATOM 0 H GLY A 27 10.401 2.806 7.324 1.00 0.93 H new ATOM 0 HA2 GLY A 27 12.544 4.308 6.044 1.00 0.96 H new ATOM 0 HA3 GLY A 27 12.920 3.666 7.631 1.00 0.96 H new ATOM 466 N LYS A 28 11.963 1.146 6.756 1.00 0.91 N ATOM 467 CA LYS A 28 12.074 -0.211 6.253 1.00 0.97 C ATOM 468 C LYS A 28 10.768 -0.954 6.523 1.00 0.77 C ATOM 469 O LYS A 28 10.476 -1.982 5.909 1.00 0.86 O ATOM 470 CB LYS A 28 13.256 -0.920 6.917 1.00 1.22 C ATOM 471 CG LYS A 28 13.564 -2.290 6.339 1.00 1.60 C ATOM 472 CD LYS A 28 14.890 -2.817 6.860 1.00 1.99 C ATOM 473 CE LYS A 28 16.037 -1.897 6.472 1.00 2.47 C ATOM 474 NZ LYS A 28 17.327 -2.323 7.070 1.00 3.21 N ATOM 0 H LYS A 28 11.409 1.230 7.609 1.00 0.91 H new ATOM 0 HA LYS A 28 12.253 -0.194 5.178 1.00 0.97 H new ATOM 0 HB2 LYS A 28 14.141 -0.291 6.824 1.00 1.22 H new ATOM 0 HB3 LYS A 28 13.050 -1.025 7.982 1.00 1.22 H new ATOM 0 HG2 LYS A 28 12.766 -2.985 6.598 1.00 1.60 H new ATOM 0 HG3 LYS A 28 13.595 -2.231 5.251 1.00 1.60 H new ATOM 0 HD2 LYS A 28 14.846 -2.911 7.945 1.00 1.99 H new ATOM 0 HD3 LYS A 28 15.070 -3.815 6.461 1.00 1.99 H new ATOM 0 HE2 LYS A 28 16.132 -1.876 5.386 1.00 2.47 H new ATOM 0 HE3 LYS A 28 15.809 -0.880 6.792 1.00 2.47 H new ATOM 0 HZ1 LYS A 28 18.079 -1.666 6.778 1.00 3.21 H new ATOM 0 HZ2 LYS A 28 17.247 -2.319 8.107 1.00 3.21 H new ATOM 0 HZ3 LYS A 28 17.560 -3.283 6.745 1.00 3.21 H new ATOM 488 N MET A 29 9.988 -0.426 7.464 1.00 0.60 N ATOM 489 CA MET A 29 8.645 -0.930 7.711 1.00 0.52 C ATOM 490 C MET A 29 7.617 0.021 7.102 1.00 0.43 C ATOM 491 O MET A 29 7.977 0.982 6.418 1.00 0.47 O ATOM 492 CB MET A 29 8.376 -1.089 9.215 1.00 0.60 C ATOM 493 CG MET A 29 8.326 0.226 9.983 1.00 1.39 C ATOM 494 SD MET A 29 7.573 0.061 11.615 1.00 1.86 S ATOM 495 CE MET A 29 8.670 -1.130 12.384 1.00 2.42 C ATOM 0 H MET A 29 10.265 0.350 8.066 1.00 0.60 H new ATOM 0 HA MET A 29 8.561 -1.912 7.245 1.00 0.52 H new ATOM 0 HB2 MET A 29 7.429 -1.612 9.350 1.00 0.60 H new ATOM 0 HB3 MET A 29 9.153 -1.720 9.647 1.00 0.60 H new ATOM 0 HG2 MET A 29 9.338 0.615 10.094 1.00 1.39 H new ATOM 0 HG3 MET A 29 7.765 0.958 9.402 1.00 1.39 H new ATOM 0 HE1 MET A 29 8.408 -1.240 13.436 1.00 2.42 H new ATOM 0 HE2 MET A 29 8.571 -2.093 11.883 1.00 2.42 H new ATOM 0 HE3 MET A 29 9.700 -0.783 12.301 1.00 2.42 H new ATOM 505 N VAL A 30 6.350 -0.222 7.403 1.00 0.52 N ATOM 506 CA VAL A 30 5.254 0.522 6.798 1.00 0.45 C ATOM 507 C VAL A 30 4.182 0.790 7.846 1.00 0.44 C ATOM 508 O VAL A 30 3.770 -0.121 8.561 1.00 0.61 O ATOM 509 CB VAL A 30 4.620 -0.233 5.605 1.00 0.56 C ATOM 510 CG1 VAL A 30 3.439 0.545 5.042 1.00 0.54 C ATOM 511 CG2 VAL A 30 5.648 -0.491 4.512 1.00 0.61 C ATOM 0 H VAL A 30 6.053 -0.935 8.069 1.00 0.52 H new ATOM 0 HA VAL A 30 5.665 1.458 6.419 1.00 0.45 H new ATOM 0 HB VAL A 30 4.262 -1.195 5.972 1.00 0.56 H new ATOM 0 HG11 VAL A 30 3.008 -0.003 4.204 1.00 0.54 H new ATOM 0 HG12 VAL A 30 2.685 0.673 5.818 1.00 0.54 H new ATOM 0 HG13 VAL A 30 3.777 1.523 4.700 1.00 0.54 H new ATOM 0 HG21 VAL A 30 5.175 -1.023 3.686 1.00 0.61 H new ATOM 0 HG22 VAL A 30 6.043 0.459 4.153 1.00 0.61 H new ATOM 0 HG23 VAL A 30 6.462 -1.094 4.913 1.00 0.61 H new ATOM 521 N SER A 31 3.751 2.035 7.955 1.00 0.35 N ATOM 522 CA SER A 31 2.703 2.393 8.892 1.00 0.39 C ATOM 523 C SER A 31 1.491 2.934 8.149 1.00 0.37 C ATOM 524 O SER A 31 1.560 3.978 7.504 1.00 0.48 O ATOM 525 CB SER A 31 3.217 3.429 9.891 1.00 0.53 C ATOM 526 OG SER A 31 4.327 2.924 10.617 1.00 1.25 O ATOM 0 H SER A 31 4.112 2.815 7.405 1.00 0.35 H new ATOM 0 HA SER A 31 2.405 1.498 9.439 1.00 0.39 H new ATOM 0 HB2 SER A 31 3.506 4.338 9.363 1.00 0.53 H new ATOM 0 HB3 SER A 31 2.419 3.702 10.582 1.00 0.53 H new ATOM 0 HG SER A 31 4.641 3.604 11.249 1.00 1.25 H new ATOM 532 N PHE A 32 0.389 2.212 8.226 1.00 0.34 N ATOM 533 CA PHE A 32 -0.832 2.632 7.561 1.00 0.34 C ATOM 534 C PHE A 32 -2.039 2.351 8.440 1.00 0.34 C ATOM 535 O PHE A 32 -1.967 1.556 9.383 1.00 0.35 O ATOM 536 CB PHE A 32 -0.984 1.921 6.210 1.00 0.35 C ATOM 537 CG PHE A 32 -1.097 0.425 6.315 1.00 0.37 C ATOM 538 CD1 PHE A 32 0.035 -0.373 6.283 1.00 0.49 C ATOM 539 CD2 PHE A 32 -2.335 -0.181 6.446 1.00 0.42 C ATOM 540 CE1 PHE A 32 -0.067 -1.747 6.381 1.00 0.61 C ATOM 541 CE2 PHE A 32 -2.444 -1.553 6.544 1.00 0.53 C ATOM 542 CZ PHE A 32 -1.307 -2.336 6.512 1.00 0.61 C ATOM 0 H PHE A 32 0.313 1.334 8.740 1.00 0.34 H new ATOM 0 HA PHE A 32 -0.772 3.706 7.383 1.00 0.34 H new ATOM 0 HB2 PHE A 32 -1.870 2.307 5.705 1.00 0.35 H new ATOM 0 HB3 PHE A 32 -0.127 2.167 5.583 1.00 0.35 H new ATOM 0 HD1 PHE A 32 1.008 0.084 6.180 1.00 0.49 H new ATOM 0 HD2 PHE A 32 -3.227 0.428 6.472 1.00 0.42 H new ATOM 0 HE1 PHE A 32 0.823 -2.359 6.355 1.00 0.61 H new ATOM 0 HE2 PHE A 32 -3.416 -2.013 6.645 1.00 0.53 H new ATOM 0 HZ PHE A 32 -1.389 -3.410 6.590 1.00 0.61 H new ATOM 552 N THR A 33 -3.136 3.011 8.127 1.00 0.38 N ATOM 553 CA THR A 33 -4.389 2.789 8.815 1.00 0.46 C ATOM 554 C THR A 33 -5.457 2.372 7.813 1.00 0.50 C ATOM 555 O THR A 33 -5.434 2.801 6.656 1.00 0.62 O ATOM 556 CB THR A 33 -4.844 4.041 9.590 1.00 0.57 C ATOM 557 OG1 THR A 33 -4.804 5.197 8.741 1.00 1.17 O ATOM 558 CG2 THR A 33 -3.958 4.268 10.808 1.00 1.06 C ATOM 0 H THR A 33 -3.183 3.715 7.390 1.00 0.38 H new ATOM 0 HA THR A 33 -4.239 1.991 9.542 1.00 0.46 H new ATOM 0 HB THR A 33 -5.869 3.880 9.924 1.00 0.57 H new ATOM 0 HG1 THR A 33 -5.097 5.984 9.246 1.00 1.17 H new ATOM 0 HG21 THR A 33 -4.295 5.156 11.342 1.00 1.06 H new ATOM 0 HG22 THR A 33 -4.018 3.403 11.468 1.00 1.06 H new ATOM 0 HG23 THR A 33 -2.926 4.408 10.486 1.00 1.06 H new ATOM 566 N TYR A 34 -6.388 1.545 8.252 1.00 0.54 N ATOM 567 CA TYR A 34 -7.386 0.977 7.359 1.00 0.63 C ATOM 568 C TYR A 34 -8.777 1.105 7.959 1.00 0.70 C ATOM 569 O TYR A 34 -8.937 1.180 9.181 1.00 0.95 O ATOM 570 CB TYR A 34 -7.060 -0.489 7.062 1.00 0.69 C ATOM 571 CG TYR A 34 -7.149 -1.409 8.264 1.00 0.64 C ATOM 572 CD1 TYR A 34 -6.159 -1.413 9.240 1.00 0.66 C ATOM 573 CD2 TYR A 34 -8.218 -2.282 8.415 1.00 0.76 C ATOM 574 CE1 TYR A 34 -6.238 -2.256 10.334 1.00 0.72 C ATOM 575 CE2 TYR A 34 -8.303 -3.126 9.506 1.00 0.81 C ATOM 576 CZ TYR A 34 -7.311 -3.111 10.460 1.00 0.75 C ATOM 577 OH TYR A 34 -7.395 -3.955 11.544 1.00 0.87 O ATOM 0 H TYR A 34 -6.475 1.250 9.224 1.00 0.54 H new ATOM 0 HA TYR A 34 -7.368 1.533 6.422 1.00 0.63 H new ATOM 0 HB2 TYR A 34 -7.742 -0.851 6.292 1.00 0.69 H new ATOM 0 HB3 TYR A 34 -6.053 -0.548 6.649 1.00 0.69 H new ATOM 0 HD1 TYR A 34 -5.314 -0.747 9.143 1.00 0.66 H new ATOM 0 HD2 TYR A 34 -8.997 -2.302 7.667 1.00 0.76 H new ATOM 0 HE1 TYR A 34 -5.462 -2.244 11.086 1.00 0.72 H new ATOM 0 HE2 TYR A 34 -9.145 -3.795 9.610 1.00 0.81 H new ATOM 0 HH TYR A 34 -6.501 -4.094 11.921 1.00 0.87 H new ATOM 587 N ASP A 35 -9.773 1.141 7.094 1.00 1.05 N ATOM 588 CA ASP A 35 -11.153 1.275 7.522 1.00 1.19 C ATOM 589 C ASP A 35 -11.839 -0.074 7.523 1.00 1.20 C ATOM 590 O ASP A 35 -12.119 -0.649 6.477 1.00 1.46 O ATOM 591 CB ASP A 35 -11.919 2.258 6.637 1.00 1.51 C ATOM 592 CG ASP A 35 -11.520 3.695 6.899 1.00 1.63 C ATOM 593 OD1 ASP A 35 -11.828 4.208 7.999 1.00 2.12 O ATOM 594 OD2 ASP A 35 -10.908 4.319 6.007 1.00 1.99 O ATOM 0 H ASP A 35 -9.651 1.079 6.083 1.00 1.05 H new ATOM 0 HA ASP A 35 -11.149 1.671 8.537 1.00 1.19 H new ATOM 0 HB2 ASP A 35 -11.738 2.018 5.589 1.00 1.51 H new ATOM 0 HB3 ASP A 35 -12.989 2.143 6.810 1.00 1.51 H new ATOM 599 N ASP A 36 -12.107 -0.560 8.714 1.00 1.24 N ATOM 600 CA ASP A 36 -12.749 -1.852 8.899 1.00 1.47 C ATOM 601 C ASP A 36 -13.629 -1.745 10.126 1.00 1.69 C ATOM 602 O ASP A 36 -14.723 -2.304 10.196 1.00 2.10 O ATOM 603 CB ASP A 36 -11.706 -2.964 9.055 1.00 1.93 C ATOM 604 CG ASP A 36 -12.264 -4.345 8.771 1.00 2.68 C ATOM 605 OD1 ASP A 36 -12.960 -4.512 7.743 1.00 3.47 O ATOM 606 OD2 ASP A 36 -12.000 -5.271 9.565 1.00 2.88 O ATOM 0 H ASP A 36 -11.888 -0.075 9.584 1.00 1.24 H new ATOM 0 HA ASP A 36 -13.349 -2.111 8.027 1.00 1.47 H new ATOM 0 HB2 ASP A 36 -10.872 -2.769 8.380 1.00 1.93 H new ATOM 0 HB3 ASP A 36 -11.308 -2.941 10.069 1.00 1.93 H new ATOM 611 N ASN A 37 -13.119 -0.994 11.088 1.00 2.04 N ATOM 612 CA ASN A 37 -13.878 -0.572 12.251 1.00 2.52 C ATOM 613 C ASN A 37 -13.892 0.955 12.310 1.00 2.87 C ATOM 614 O ASN A 37 -12.923 1.594 11.895 1.00 3.52 O ATOM 615 CB ASN A 37 -13.282 -1.168 13.539 1.00 3.11 C ATOM 616 CG ASN A 37 -11.762 -1.036 13.662 1.00 3.61 C ATOM 617 OD1 ASN A 37 -11.109 -1.903 14.234 1.00 4.37 O ATOM 618 ND2 ASN A 37 -11.184 0.038 13.142 1.00 3.58 N ATOM 0 H ASN A 37 -12.156 -0.657 11.082 1.00 2.04 H new ATOM 0 HA ASN A 37 -14.902 -0.937 12.167 1.00 2.52 H new ATOM 0 HB2 ASN A 37 -13.746 -0.681 14.397 1.00 3.11 H new ATOM 0 HB3 ASN A 37 -13.547 -2.224 13.591 1.00 3.11 H new ATOM 0 HD21 ASN A 37 -10.174 0.158 13.213 1.00 3.58 H new ATOM 0 HD22 ASN A 37 -11.750 0.744 12.671 1.00 3.58 H new ATOM 625 N GLY A 38 -14.998 1.533 12.765 1.00 3.05 N ATOM 626 CA GLY A 38 -15.105 2.984 12.870 1.00 3.84 C ATOM 627 C GLY A 38 -14.224 3.586 13.952 1.00 3.87 C ATOM 628 O GLY A 38 -14.726 4.175 14.911 1.00 4.27 O ATOM 0 H GLY A 38 -15.829 1.023 13.065 1.00 3.05 H new ATOM 0 HA2 GLY A 38 -14.842 3.429 11.910 1.00 3.84 H new ATOM 0 HA3 GLY A 38 -16.143 3.249 13.070 1.00 3.84 H new ATOM 632 N LYS A 39 -12.914 3.441 13.791 1.00 3.58 N ATOM 633 CA LYS A 39 -11.937 3.996 14.715 1.00 3.65 C ATOM 634 C LYS A 39 -10.535 3.807 14.144 1.00 3.06 C ATOM 635 O LYS A 39 -10.375 3.605 12.935 1.00 3.00 O ATOM 636 CB LYS A 39 -12.039 3.330 16.096 1.00 3.97 C ATOM 637 CG LYS A 39 -11.871 1.817 16.071 1.00 4.01 C ATOM 638 CD LYS A 39 -11.840 1.237 17.475 1.00 4.09 C ATOM 639 CE LYS A 39 -10.606 1.686 18.243 1.00 4.30 C ATOM 640 NZ LYS A 39 -10.572 1.124 19.619 1.00 4.81 N ATOM 0 H LYS A 39 -12.499 2.932 13.011 1.00 3.58 H new ATOM 0 HA LYS A 39 -12.142 5.059 14.840 1.00 3.65 H new ATOM 0 HB2 LYS A 39 -11.280 3.758 16.751 1.00 3.97 H new ATOM 0 HB3 LYS A 39 -13.009 3.570 16.532 1.00 3.97 H new ATOM 0 HG2 LYS A 39 -12.690 1.368 15.509 1.00 4.01 H new ATOM 0 HG3 LYS A 39 -10.949 1.561 15.550 1.00 4.01 H new ATOM 0 HD2 LYS A 39 -12.736 1.543 18.015 1.00 4.09 H new ATOM 0 HD3 LYS A 39 -11.858 0.149 17.419 1.00 4.09 H new ATOM 0 HE2 LYS A 39 -9.711 1.378 17.703 1.00 4.30 H new ATOM 0 HE3 LYS A 39 -10.588 2.775 18.295 1.00 4.30 H new ATOM 0 HZ1 LYS A 39 -9.716 1.454 20.108 1.00 4.81 H new ATOM 0 HZ2 LYS A 39 -11.413 1.439 20.143 1.00 4.81 H new ATOM 0 HZ3 LYS A 39 -10.563 0.085 19.570 1.00 4.81 H new ATOM 654 N THR A 40 -9.531 3.889 15.011 1.00 2.83 N ATOM 655 CA THR A 40 -8.145 3.630 14.640 1.00 2.37 C ATOM 656 C THR A 40 -7.976 2.199 14.093 1.00 1.60 C ATOM 657 O THR A 40 -8.917 1.402 14.090 1.00 2.02 O ATOM 658 CB THR A 40 -7.240 3.845 15.875 1.00 2.76 C ATOM 659 OG1 THR A 40 -7.714 4.984 16.615 1.00 2.97 O ATOM 660 CG2 THR A 40 -5.793 4.085 15.473 1.00 3.08 C ATOM 0 H THR A 40 -9.656 4.137 15.992 1.00 2.83 H new ATOM 0 HA THR A 40 -7.856 4.322 13.850 1.00 2.37 H new ATOM 0 HB THR A 40 -7.281 2.943 16.486 1.00 2.76 H new ATOM 0 HG1 THR A 40 -7.145 5.124 17.400 1.00 2.97 H new ATOM 0 HG21 THR A 40 -5.187 4.232 16.367 1.00 3.08 H new ATOM 0 HG22 THR A 40 -5.421 3.222 14.920 1.00 3.08 H new ATOM 0 HG23 THR A 40 -5.733 4.973 14.844 1.00 3.08 H new ATOM 668 N GLY A 41 -6.770 1.869 13.664 1.00 1.15 N ATOM 669 CA GLY A 41 -6.526 0.598 13.018 1.00 0.83 C ATOM 670 C GLY A 41 -5.110 0.520 12.503 1.00 0.61 C ATOM 671 O GLY A 41 -4.752 1.223 11.562 1.00 0.62 O ATOM 0 H GLY A 41 -5.947 2.465 13.753 1.00 1.15 H new ATOM 0 HA2 GLY A 41 -6.706 -0.214 13.723 1.00 0.83 H new ATOM 0 HA3 GLY A 41 -7.225 0.465 12.193 1.00 0.83 H new ATOM 675 N ARG A 42 -4.301 -0.326 13.116 1.00 0.52 N ATOM 676 CA ARG A 42 -2.884 -0.374 12.803 1.00 0.51 C ATOM 677 C ARG A 42 -2.484 -1.701 12.186 1.00 0.47 C ATOM 678 O ARG A 42 -2.720 -2.767 12.758 1.00 0.61 O ATOM 679 CB ARG A 42 -2.058 -0.112 14.061 1.00 0.76 C ATOM 680 CG ARG A 42 -1.924 1.362 14.400 1.00 1.24 C ATOM 681 CD ARG A 42 -1.038 2.082 13.395 1.00 1.30 C ATOM 682 NE ARG A 42 0.345 1.600 13.442 1.00 1.86 N ATOM 683 CZ ARG A 42 1.417 2.387 13.351 1.00 2.34 C ATOM 684 NH1 ARG A 42 1.279 3.699 13.188 1.00 2.55 N ATOM 685 NH2 ARG A 42 2.631 1.862 13.427 1.00 3.13 N ATOM 0 H ARG A 42 -4.600 -0.988 13.832 1.00 0.52 H new ATOM 0 HA ARG A 42 -2.684 0.405 12.068 1.00 0.51 H new ATOM 0 HB2 ARG A 42 -2.518 -0.630 14.903 1.00 0.76 H new ATOM 0 HB3 ARG A 42 -1.064 -0.538 13.929 1.00 0.76 H new ATOM 0 HG2 ARG A 42 -2.911 1.825 14.415 1.00 1.24 H new ATOM 0 HG3 ARG A 42 -1.505 1.471 15.401 1.00 1.24 H new ATOM 0 HD2 ARG A 42 -1.438 1.940 12.391 1.00 1.30 H new ATOM 0 HD3 ARG A 42 -1.056 3.153 13.597 1.00 1.30 H new ATOM 0 HE ARG A 42 0.497 0.597 13.551 1.00 1.86 H new ATOM 0 HH11 ARG A 42 0.347 4.111 13.132 1.00 2.55 H new ATOM 0 HH12 ARG A 42 2.105 4.294 13.119 1.00 2.55 H new ATOM 0 HH21 ARG A 42 2.745 0.856 13.555 1.00 3.13 H new ATOM 0 HH22 ARG A 42 3.452 2.463 13.357 1.00 3.13 H new ATOM 699 N GLY A 43 -1.886 -1.618 11.013 1.00 0.40 N ATOM 700 CA GLY A 43 -1.309 -2.778 10.374 1.00 0.43 C ATOM 701 C GLY A 43 0.098 -2.475 9.916 1.00 0.38 C ATOM 702 O GLY A 43 0.383 -1.342 9.526 1.00 0.39 O ATOM 0 H GLY A 43 -1.788 -0.752 10.483 1.00 0.40 H new ATOM 0 HA2 GLY A 43 -1.300 -3.618 11.068 1.00 0.43 H new ATOM 0 HA3 GLY A 43 -1.921 -3.075 9.522 1.00 0.43 H new ATOM 706 N ALA A 44 0.984 -3.456 9.962 1.00 0.38 N ATOM 707 CA ALA A 44 2.378 -3.208 9.632 1.00 0.39 C ATOM 708 C ALA A 44 2.986 -4.356 8.841 1.00 0.44 C ATOM 709 O ALA A 44 2.866 -5.525 9.216 1.00 0.53 O ATOM 710 CB ALA A 44 3.183 -2.959 10.898 1.00 0.46 C ATOM 0 H ALA A 44 0.768 -4.419 10.221 1.00 0.38 H new ATOM 0 HA ALA A 44 2.413 -2.319 9.002 1.00 0.39 H new ATOM 0 HB1 ALA A 44 4.225 -2.775 10.636 1.00 0.46 H new ATOM 0 HB2 ALA A 44 2.781 -2.091 11.420 1.00 0.46 H new ATOM 0 HB3 ALA A 44 3.121 -3.833 11.546 1.00 0.46 H new ATOM 716 N VAL A 45 3.631 -4.004 7.739 1.00 0.45 N ATOM 717 CA VAL A 45 4.366 -4.951 6.912 1.00 0.54 C ATOM 718 C VAL A 45 5.677 -4.303 6.482 1.00 0.47 C ATOM 719 O VAL A 45 5.790 -3.079 6.490 1.00 0.49 O ATOM 720 CB VAL A 45 3.564 -5.372 5.655 1.00 0.70 C ATOM 721 CG1 VAL A 45 2.346 -6.199 6.035 1.00 1.21 C ATOM 722 CG2 VAL A 45 3.147 -4.148 4.846 1.00 1.50 C ATOM 0 H VAL A 45 3.660 -3.046 7.390 1.00 0.45 H new ATOM 0 HA VAL A 45 4.548 -5.850 7.500 1.00 0.54 H new ATOM 0 HB VAL A 45 4.214 -5.991 5.036 1.00 0.70 H new ATOM 0 HG11 VAL A 45 1.802 -6.481 5.134 1.00 1.21 H new ATOM 0 HG12 VAL A 45 2.666 -7.098 6.561 1.00 1.21 H new ATOM 0 HG13 VAL A 45 1.695 -5.612 6.683 1.00 1.21 H new ATOM 0 HG21 VAL A 45 2.585 -4.466 3.968 1.00 1.50 H new ATOM 0 HG22 VAL A 45 2.522 -3.501 5.461 1.00 1.50 H new ATOM 0 HG23 VAL A 45 4.035 -3.601 4.530 1.00 1.50 H new ATOM 732 N SER A 46 6.670 -5.112 6.152 1.00 0.51 N ATOM 733 CA SER A 46 7.955 -4.589 5.702 1.00 0.62 C ATOM 734 C SER A 46 7.874 -4.076 4.261 1.00 0.74 C ATOM 735 O SER A 46 6.882 -4.311 3.574 1.00 1.13 O ATOM 736 CB SER A 46 9.025 -5.670 5.827 1.00 0.78 C ATOM 737 OG SER A 46 9.066 -6.190 7.146 1.00 1.26 O ATOM 0 H SER A 46 6.614 -6.130 6.186 1.00 0.51 H new ATOM 0 HA SER A 46 8.224 -3.745 6.337 1.00 0.62 H new ATOM 0 HB2 SER A 46 8.820 -6.474 5.121 1.00 0.78 H new ATOM 0 HB3 SER A 46 9.999 -5.256 5.564 1.00 0.78 H new ATOM 0 HG SER A 46 9.757 -6.882 7.203 1.00 1.26 H new ATOM 743 N GLU A 47 8.930 -3.398 3.809 1.00 0.64 N ATOM 744 CA GLU A 47 8.951 -2.773 2.482 1.00 0.78 C ATOM 745 C GLU A 47 8.684 -3.786 1.370 1.00 0.69 C ATOM 746 O GLU A 47 7.743 -3.630 0.591 1.00 0.81 O ATOM 747 CB GLU A 47 10.307 -2.106 2.247 1.00 1.15 C ATOM 748 CG GLU A 47 10.487 -0.780 2.963 1.00 1.53 C ATOM 749 CD GLU A 47 10.098 0.400 2.100 1.00 1.83 C ATOM 750 OE1 GLU A 47 10.662 0.566 1.002 1.00 2.01 O ATOM 751 OE2 GLU A 47 9.203 1.166 2.519 1.00 2.34 O ATOM 0 H GLU A 47 9.788 -3.266 4.345 1.00 0.64 H new ATOM 0 HA GLU A 47 8.155 -2.028 2.456 1.00 0.78 H new ATOM 0 HB2 GLU A 47 11.094 -2.788 2.568 1.00 1.15 H new ATOM 0 HB3 GLU A 47 10.440 -1.948 1.177 1.00 1.15 H new ATOM 0 HG2 GLU A 47 9.885 -0.776 3.871 1.00 1.53 H new ATOM 0 HG3 GLU A 47 11.528 -0.675 3.270 1.00 1.53 H new ATOM 758 N LYS A 48 9.505 -4.828 1.309 1.00 0.67 N ATOM 759 CA LYS A 48 9.383 -5.836 0.258 1.00 0.76 C ATOM 760 C LYS A 48 8.102 -6.656 0.416 1.00 0.70 C ATOM 761 O LYS A 48 7.645 -7.298 -0.530 1.00 0.83 O ATOM 762 CB LYS A 48 10.596 -6.771 0.264 1.00 0.93 C ATOM 763 CG LYS A 48 10.700 -7.635 1.511 1.00 1.63 C ATOM 764 CD LYS A 48 11.825 -8.651 1.394 1.00 2.06 C ATOM 765 CE LYS A 48 11.818 -9.620 2.565 1.00 2.59 C ATOM 766 NZ LYS A 48 10.528 -10.352 2.676 1.00 3.35 N ATOM 0 H LYS A 48 10.261 -4.998 1.972 1.00 0.67 H new ATOM 0 HA LYS A 48 9.339 -5.309 -0.695 1.00 0.76 H new ATOM 0 HB2 LYS A 48 10.548 -7.418 -0.612 1.00 0.93 H new ATOM 0 HB3 LYS A 48 11.503 -6.174 0.170 1.00 0.93 H new ATOM 0 HG2 LYS A 48 10.870 -7.001 2.381 1.00 1.63 H new ATOM 0 HG3 LYS A 48 9.756 -8.154 1.675 1.00 1.63 H new ATOM 0 HD2 LYS A 48 11.722 -9.204 0.461 1.00 2.06 H new ATOM 0 HD3 LYS A 48 12.783 -8.133 1.354 1.00 2.06 H new ATOM 0 HE2 LYS A 48 12.632 -10.336 2.448 1.00 2.59 H new ATOM 0 HE3 LYS A 48 12.005 -9.073 3.489 1.00 2.59 H new ATOM 0 HZ1 LYS A 48 10.650 -11.178 3.296 1.00 3.35 H new ATOM 0 HZ2 LYS A 48 9.805 -9.722 3.077 1.00 3.35 H new ATOM 0 HZ3 LYS A 48 10.226 -10.669 1.733 1.00 3.35 H new ATOM 780 N ASP A 49 7.521 -6.618 1.608 1.00 0.59 N ATOM 781 CA ASP A 49 6.338 -7.413 1.913 1.00 0.65 C ATOM 782 C ASP A 49 5.059 -6.638 1.626 1.00 0.66 C ATOM 783 O ASP A 49 3.961 -7.199 1.678 1.00 0.72 O ATOM 784 CB ASP A 49 6.354 -7.857 3.378 1.00 0.68 C ATOM 785 CG ASP A 49 7.371 -8.949 3.652 1.00 1.28 C ATOM 786 OD1 ASP A 49 8.575 -8.633 3.739 1.00 2.22 O ATOM 787 OD2 ASP A 49 6.980 -10.130 3.769 1.00 1.27 O ATOM 0 H ASP A 49 7.851 -6.043 2.383 1.00 0.59 H new ATOM 0 HA ASP A 49 6.359 -8.293 1.269 1.00 0.65 H new ATOM 0 HB2 ASP A 49 6.572 -6.997 4.011 1.00 0.68 H new ATOM 0 HB3 ASP A 49 5.362 -8.213 3.655 1.00 0.68 H new ATOM 792 N ALA A 50 5.198 -5.353 1.328 1.00 0.69 N ATOM 793 CA ALA A 50 4.058 -4.536 0.944 1.00 0.72 C ATOM 794 C ALA A 50 3.645 -4.861 -0.487 1.00 0.70 C ATOM 795 O ALA A 50 4.460 -4.809 -1.403 1.00 0.79 O ATOM 796 CB ALA A 50 4.387 -3.060 1.093 1.00 0.87 C ATOM 0 H ALA A 50 6.088 -4.856 1.345 1.00 0.69 H new ATOM 0 HA ALA A 50 3.221 -4.761 1.605 1.00 0.72 H new ATOM 0 HB1 ALA A 50 3.523 -2.463 0.801 1.00 0.87 H new ATOM 0 HB2 ALA A 50 4.641 -2.847 2.131 1.00 0.87 H new ATOM 0 HB3 ALA A 50 5.233 -2.809 0.453 1.00 0.87 H new ATOM 802 N PRO A 51 2.376 -5.216 -0.700 1.00 0.65 N ATOM 803 CA PRO A 51 1.885 -5.638 -2.000 1.00 0.70 C ATOM 804 C PRO A 51 1.355 -4.487 -2.854 1.00 0.72 C ATOM 805 O PRO A 51 0.473 -3.748 -2.421 1.00 1.01 O ATOM 806 CB PRO A 51 0.760 -6.608 -1.641 1.00 0.72 C ATOM 807 CG PRO A 51 0.340 -6.264 -0.243 1.00 0.73 C ATOM 808 CD PRO A 51 1.316 -5.253 0.306 1.00 0.64 C ATOM 0 HA PRO A 51 2.678 -6.073 -2.608 1.00 0.70 H new ATOM 0 HB2 PRO A 51 -0.076 -6.508 -2.334 1.00 0.72 H new ATOM 0 HB3 PRO A 51 1.103 -7.641 -1.701 1.00 0.72 H new ATOM 0 HG2 PRO A 51 -0.671 -5.857 -0.239 1.00 0.73 H new ATOM 0 HG3 PRO A 51 0.327 -7.158 0.381 1.00 0.73 H new ATOM 0 HD2 PRO A 51 0.851 -4.276 0.434 1.00 0.64 H new ATOM 0 HD3 PRO A 51 1.699 -5.554 1.281 1.00 0.64 H new ATOM 816 N LYS A 52 1.961 -4.350 -4.043 1.00 0.61 N ATOM 817 CA LYS A 52 1.538 -3.446 -5.137 1.00 0.70 C ATOM 818 C LYS A 52 0.675 -2.265 -4.685 1.00 0.60 C ATOM 819 O LYS A 52 1.178 -1.161 -4.541 1.00 0.70 O ATOM 820 CB LYS A 52 0.803 -4.240 -6.225 1.00 1.04 C ATOM 821 CG LYS A 52 1.098 -3.766 -7.647 1.00 1.38 C ATOM 822 CD LYS A 52 0.696 -2.314 -7.869 1.00 2.01 C ATOM 823 CE LYS A 52 1.047 -1.842 -9.274 1.00 2.22 C ATOM 824 NZ LYS A 52 0.632 -0.432 -9.515 1.00 2.97 N ATOM 0 H LYS A 52 2.795 -4.886 -4.284 1.00 0.61 H new ATOM 0 HA LYS A 52 2.457 -3.013 -5.532 1.00 0.70 H new ATOM 0 HB2 LYS A 52 1.076 -5.292 -6.140 1.00 1.04 H new ATOM 0 HB3 LYS A 52 -0.270 -4.174 -6.046 1.00 1.04 H new ATOM 0 HG2 LYS A 52 2.162 -3.881 -7.852 1.00 1.38 H new ATOM 0 HG3 LYS A 52 0.566 -4.400 -8.356 1.00 1.38 H new ATOM 0 HD2 LYS A 52 -0.376 -2.204 -7.705 1.00 2.01 H new ATOM 0 HD3 LYS A 52 1.197 -1.681 -7.136 1.00 2.01 H new ATOM 0 HE2 LYS A 52 2.122 -1.934 -9.428 1.00 2.22 H new ATOM 0 HE3 LYS A 52 0.564 -2.491 -10.005 1.00 2.22 H new ATOM 0 HZ1 LYS A 52 0.876 -0.160 -10.489 1.00 2.97 H new ATOM 0 HZ2 LYS A 52 -0.395 -0.344 -9.378 1.00 2.97 H new ATOM 0 HZ3 LYS A 52 1.125 0.194 -8.847 1.00 2.97 H new ATOM 838 N GLU A 53 -0.625 -2.507 -4.495 1.00 0.67 N ATOM 839 CA GLU A 53 -1.586 -1.461 -4.114 1.00 0.82 C ATOM 840 C GLU A 53 -1.075 -0.564 -2.985 1.00 0.80 C ATOM 841 O GLU A 53 -1.374 0.629 -2.950 1.00 1.00 O ATOM 842 CB GLU A 53 -2.912 -2.096 -3.697 1.00 1.09 C ATOM 843 CG GLU A 53 -3.599 -2.859 -4.817 1.00 1.69 C ATOM 844 CD GLU A 53 -3.925 -1.979 -6.005 1.00 2.07 C ATOM 845 OE1 GLU A 53 -3.070 -1.846 -6.905 1.00 2.77 O ATOM 846 OE2 GLU A 53 -5.039 -1.418 -6.049 1.00 2.33 O ATOM 0 H GLU A 53 -1.043 -3.431 -4.600 1.00 0.67 H new ATOM 0 HA GLU A 53 -1.726 -0.830 -4.992 1.00 0.82 H new ATOM 0 HB2 GLU A 53 -2.734 -2.774 -2.862 1.00 1.09 H new ATOM 0 HB3 GLU A 53 -3.582 -1.315 -3.336 1.00 1.09 H new ATOM 0 HG2 GLU A 53 -2.957 -3.678 -5.141 1.00 1.69 H new ATOM 0 HG3 GLU A 53 -4.518 -3.306 -4.437 1.00 1.69 H new ATOM 853 N LEU A 54 -0.294 -1.131 -2.077 1.00 0.69 N ATOM 854 CA LEU A 54 0.249 -0.366 -0.967 1.00 0.74 C ATOM 855 C LEU A 54 1.568 0.285 -1.380 1.00 0.78 C ATOM 856 O LEU A 54 1.814 1.454 -1.081 1.00 1.15 O ATOM 857 CB LEU A 54 0.442 -1.278 0.254 1.00 0.78 C ATOM 858 CG LEU A 54 0.693 -0.572 1.593 1.00 0.83 C ATOM 859 CD1 LEU A 54 0.306 -1.484 2.746 1.00 1.34 C ATOM 860 CD2 LEU A 54 2.149 -0.160 1.734 1.00 1.82 C ATOM 0 H LEU A 54 -0.024 -2.114 -2.088 1.00 0.69 H new ATOM 0 HA LEU A 54 -0.451 0.424 -0.695 1.00 0.74 H new ATOM 0 HB2 LEU A 54 -0.444 -1.904 0.358 1.00 0.78 H new ATOM 0 HB3 LEU A 54 1.282 -1.944 0.055 1.00 0.78 H new ATOM 0 HG LEU A 54 0.078 0.327 1.617 1.00 0.83 H new ATOM 0 HD11 LEU A 54 0.488 -0.973 3.691 1.00 1.34 H new ATOM 0 HD12 LEU A 54 -0.751 -1.739 2.669 1.00 1.34 H new ATOM 0 HD13 LEU A 54 0.903 -2.395 2.705 1.00 1.34 H new ATOM 0 HD21 LEU A 54 2.295 0.338 2.693 1.00 1.82 H new ATOM 0 HD22 LEU A 54 2.784 -1.045 1.684 1.00 1.82 H new ATOM 0 HD23 LEU A 54 2.414 0.523 0.927 1.00 1.82 H new ATOM 872 N LEU A 55 2.401 -0.468 -2.089 1.00 0.63 N ATOM 873 CA LEU A 55 3.685 0.054 -2.551 1.00 0.65 C ATOM 874 C LEU A 55 3.518 1.126 -3.622 1.00 0.66 C ATOM 875 O LEU A 55 4.398 1.963 -3.795 1.00 0.76 O ATOM 876 CB LEU A 55 4.583 -1.062 -3.091 1.00 0.68 C ATOM 877 CG LEU A 55 5.439 -1.771 -2.041 1.00 0.99 C ATOM 878 CD1 LEU A 55 6.397 -2.743 -2.710 1.00 1.18 C ATOM 879 CD2 LEU A 55 6.209 -0.757 -1.204 1.00 1.87 C ATOM 0 H LEU A 55 2.214 -1.435 -2.356 1.00 0.63 H new ATOM 0 HA LEU A 55 4.159 0.506 -1.679 1.00 0.65 H new ATOM 0 HB2 LEU A 55 3.956 -1.803 -3.587 1.00 0.68 H new ATOM 0 HB3 LEU A 55 5.242 -0.641 -3.851 1.00 0.68 H new ATOM 0 HG LEU A 55 4.779 -2.332 -1.379 1.00 0.99 H new ATOM 0 HD11 LEU A 55 7.000 -3.240 -1.950 1.00 1.18 H new ATOM 0 HD12 LEU A 55 5.829 -3.488 -3.268 1.00 1.18 H new ATOM 0 HD13 LEU A 55 7.050 -2.199 -3.392 1.00 1.18 H new ATOM 0 HD21 LEU A 55 6.812 -1.281 -0.462 1.00 1.87 H new ATOM 0 HD22 LEU A 55 6.860 -0.170 -1.852 1.00 1.87 H new ATOM 0 HD23 LEU A 55 5.507 -0.094 -0.698 1.00 1.87 H new ATOM 891 N ASP A 56 2.396 1.126 -4.327 1.00 0.64 N ATOM 892 CA ASP A 56 2.138 2.126 -5.355 1.00 0.69 C ATOM 893 C ASP A 56 1.876 3.480 -4.707 1.00 0.76 C ATOM 894 O ASP A 56 2.289 4.524 -5.216 1.00 0.90 O ATOM 895 CB ASP A 56 0.928 1.685 -6.184 1.00 0.79 C ATOM 896 CG ASP A 56 0.677 2.552 -7.402 1.00 1.12 C ATOM 897 OD1 ASP A 56 -0.020 3.578 -7.269 1.00 1.59 O ATOM 898 OD2 ASP A 56 1.204 2.230 -8.487 1.00 1.33 O ATOM 0 H ASP A 56 1.648 0.443 -4.206 1.00 0.64 H new ATOM 0 HA ASP A 56 3.006 2.221 -6.007 1.00 0.69 H new ATOM 0 HB2 ASP A 56 1.075 0.654 -6.506 1.00 0.79 H new ATOM 0 HB3 ASP A 56 0.041 1.697 -5.551 1.00 0.79 H new ATOM 903 N MET A 57 1.205 3.449 -3.562 1.00 0.75 N ATOM 904 CA MET A 57 0.946 4.655 -2.788 1.00 0.87 C ATOM 905 C MET A 57 2.229 5.146 -2.123 1.00 0.95 C ATOM 906 O MET A 57 2.396 6.338 -1.873 1.00 1.44 O ATOM 907 CB MET A 57 -0.126 4.392 -1.724 1.00 0.97 C ATOM 908 CG MET A 57 -1.486 4.019 -2.291 1.00 1.08 C ATOM 909 SD MET A 57 -2.224 5.346 -3.264 1.00 1.54 S ATOM 910 CE MET A 57 -3.755 4.571 -3.781 1.00 2.05 C ATOM 0 H MET A 57 0.829 2.596 -3.148 1.00 0.75 H new ATOM 0 HA MET A 57 0.583 5.426 -3.468 1.00 0.87 H new ATOM 0 HB2 MET A 57 0.216 3.589 -1.070 1.00 0.97 H new ATOM 0 HB3 MET A 57 -0.234 5.283 -1.105 1.00 0.97 H new ATOM 0 HG2 MET A 57 -1.384 3.131 -2.915 1.00 1.08 H new ATOM 0 HG3 MET A 57 -2.157 3.758 -1.472 1.00 1.08 H new ATOM 0 HE1 MET A 57 -4.327 5.268 -4.394 1.00 2.05 H new ATOM 0 HE2 MET A 57 -3.532 3.676 -4.362 1.00 2.05 H new ATOM 0 HE3 MET A 57 -4.339 4.297 -2.902 1.00 2.05 H new ATOM 920 N LEU A 58 3.138 4.219 -1.853 1.00 0.84 N ATOM 921 CA LEU A 58 4.415 4.566 -1.246 1.00 0.89 C ATOM 922 C LEU A 58 5.393 5.080 -2.296 1.00 0.97 C ATOM 923 O LEU A 58 6.209 5.957 -2.015 1.00 1.36 O ATOM 924 CB LEU A 58 5.013 3.375 -0.496 1.00 0.97 C ATOM 925 CG LEU A 58 4.279 2.979 0.790 1.00 0.87 C ATOM 926 CD1 LEU A 58 5.035 1.877 1.514 1.00 1.63 C ATOM 927 CD2 LEU A 58 4.092 4.191 1.695 1.00 1.59 C ATOM 0 H LEU A 58 3.015 3.225 -2.044 1.00 0.84 H new ATOM 0 HA LEU A 58 4.233 5.363 -0.525 1.00 0.89 H new ATOM 0 HB2 LEU A 58 5.029 2.515 -1.166 1.00 0.97 H new ATOM 0 HB3 LEU A 58 6.049 3.605 -0.248 1.00 0.97 H new ATOM 0 HG LEU A 58 3.293 2.599 0.523 1.00 0.87 H new ATOM 0 HD11 LEU A 58 4.501 1.607 2.425 1.00 1.63 H new ATOM 0 HD12 LEU A 58 5.113 1.003 0.867 1.00 1.63 H new ATOM 0 HD13 LEU A 58 6.034 2.229 1.770 1.00 1.63 H new ATOM 0 HD21 LEU A 58 3.569 3.890 2.603 1.00 1.59 H new ATOM 0 HD22 LEU A 58 5.066 4.603 1.957 1.00 1.59 H new ATOM 0 HD23 LEU A 58 3.507 4.948 1.173 1.00 1.59 H new ATOM 939 N ALA A 59 5.304 4.529 -3.501 1.00 0.84 N ATOM 940 CA ALA A 59 6.158 4.950 -4.606 1.00 0.93 C ATOM 941 C ALA A 59 5.787 6.350 -5.071 1.00 0.99 C ATOM 942 O ALA A 59 6.653 7.147 -5.427 1.00 1.11 O ATOM 943 CB ALA A 59 6.060 3.964 -5.761 1.00 1.07 C ATOM 0 H ALA A 59 4.646 3.787 -3.738 1.00 0.84 H new ATOM 0 HA ALA A 59 7.189 4.969 -4.252 1.00 0.93 H new ATOM 0 HB1 ALA A 59 6.704 4.294 -6.577 1.00 1.07 H new ATOM 0 HB2 ALA A 59 6.377 2.977 -5.425 1.00 1.07 H new ATOM 0 HB3 ALA A 59 5.029 3.914 -6.110 1.00 1.07 H new ATOM 949 N ARG A 60 4.494 6.652 -5.043 1.00 1.13 N ATOM 950 CA ARG A 60 4.020 7.980 -5.415 1.00 1.40 C ATOM 951 C ARG A 60 4.274 8.965 -4.275 1.00 1.53 C ATOM 952 O ARG A 60 4.033 10.163 -4.404 1.00 1.94 O ATOM 953 CB ARG A 60 2.531 7.959 -5.780 1.00 1.59 C ATOM 954 CG ARG A 60 1.610 7.765 -4.588 1.00 1.74 C ATOM 955 CD ARG A 60 0.149 7.852 -4.991 1.00 1.93 C ATOM 956 NE ARG A 60 -0.255 6.744 -5.857 1.00 2.28 N ATOM 957 CZ ARG A 60 -1.462 6.639 -6.416 1.00 2.83 C ATOM 958 NH1 ARG A 60 -2.356 7.611 -6.268 1.00 3.12 N ATOM 959 NH2 ARG A 60 -1.770 5.565 -7.132 1.00 3.60 N ATOM 0 H ARG A 60 3.759 6.000 -4.768 1.00 1.13 H new ATOM 0 HA ARG A 60 4.574 8.303 -6.296 1.00 1.40 H new ATOM 0 HB2 ARG A 60 2.275 8.895 -6.276 1.00 1.59 H new ATOM 0 HB3 ARG A 60 2.354 7.158 -6.498 1.00 1.59 H new ATOM 0 HG2 ARG A 60 1.805 6.795 -4.131 1.00 1.74 H new ATOM 0 HG3 ARG A 60 1.826 8.522 -3.834 1.00 1.74 H new ATOM 0 HD2 ARG A 60 -0.473 7.856 -4.096 1.00 1.93 H new ATOM 0 HD3 ARG A 60 -0.028 8.796 -5.506 1.00 1.93 H new ATOM 0 HE ARG A 60 0.426 6.008 -6.044 1.00 2.28 H new ATOM 0 HH11 ARG A 60 -2.121 8.442 -5.725 1.00 3.12 H new ATOM 0 HH12 ARG A 60 -3.277 7.526 -6.697 1.00 3.12 H new ATOM 0 HH21 ARG A 60 -1.084 4.820 -7.255 1.00 3.60 H new ATOM 0 HH22 ARG A 60 -2.693 5.484 -7.559 1.00 3.60 H new ATOM 973 N ALA A 61 4.783 8.445 -3.165 1.00 1.52 N ATOM 974 CA ALA A 61 5.091 9.263 -2.003 1.00 1.79 C ATOM 975 C ALA A 61 6.566 9.640 -2.008 1.00 1.71 C ATOM 976 O ALA A 61 6.982 10.576 -1.319 1.00 2.10 O ATOM 977 CB ALA A 61 4.726 8.528 -0.722 1.00 1.95 C ATOM 0 H ALA A 61 4.992 7.454 -3.047 1.00 1.52 H new ATOM 0 HA ALA A 61 4.499 10.177 -2.048 1.00 1.79 H new ATOM 0 HB1 ALA A 61 4.963 9.155 0.137 1.00 1.95 H new ATOM 0 HB2 ALA A 61 3.660 8.302 -0.723 1.00 1.95 H new ATOM 0 HB3 ALA A 61 5.293 7.599 -0.661 1.00 1.95 H new ATOM 983 N GLU A 62 7.351 8.898 -2.792 1.00 1.51 N ATOM 984 CA GLU A 62 8.772 9.190 -2.993 1.00 1.64 C ATOM 985 C GLU A 62 8.973 10.457 -3.828 1.00 1.93 C ATOM 986 O GLU A 62 9.785 10.481 -4.754 1.00 2.42 O ATOM 987 CB GLU A 62 9.452 8.025 -3.709 1.00 1.89 C ATOM 988 CG GLU A 62 9.457 6.724 -2.933 1.00 2.14 C ATOM 989 CD GLU A 62 9.999 5.575 -3.759 1.00 2.57 C ATOM 990 OE1 GLU A 62 11.120 5.701 -4.298 1.00 2.98 O ATOM 991 OE2 GLU A 62 9.318 4.533 -3.853 1.00 2.91 O ATOM 0 H GLU A 62 7.021 8.080 -3.304 1.00 1.51 H new ATOM 0 HA GLU A 62 9.214 9.341 -2.008 1.00 1.64 H new ATOM 0 HB2 GLU A 62 8.953 7.861 -4.664 1.00 1.89 H new ATOM 0 HB3 GLU A 62 10.482 8.304 -3.932 1.00 1.89 H new ATOM 0 HG2 GLU A 62 10.061 6.841 -2.033 1.00 2.14 H new ATOM 0 HG3 GLU A 62 8.443 6.491 -2.608 1.00 2.14 H new ATOM 998 N ARG A 63 8.244 11.502 -3.485 1.00 2.16 N ATOM 999 CA ARG A 63 8.313 12.781 -4.179 1.00 2.69 C ATOM 1000 C ARG A 63 7.998 13.876 -3.176 1.00 2.85 C ATOM 1001 O ARG A 63 7.569 14.966 -3.543 1.00 3.26 O ATOM 1002 CB ARG A 63 7.299 12.878 -5.343 1.00 3.11 C ATOM 1003 CG ARG A 63 7.591 12.001 -6.558 1.00 3.13 C ATOM 1004 CD ARG A 63 7.095 10.574 -6.367 1.00 3.11 C ATOM 1005 NE ARG A 63 7.239 9.774 -7.582 1.00 2.92 N ATOM 1006 CZ ARG A 63 8.280 8.980 -7.840 1.00 3.14 C ATOM 1007 NH1 ARG A 63 9.315 8.934 -7.003 1.00 3.60 N ATOM 1008 NH2 ARG A 63 8.291 8.239 -8.941 1.00 3.44 N ATOM 0 H ARG A 63 7.580 11.490 -2.710 1.00 2.16 H new ATOM 0 HA ARG A 63 9.313 12.884 -4.601 1.00 2.69 H new ATOM 0 HB2 ARG A 63 6.311 12.619 -4.961 1.00 3.11 H new ATOM 0 HB3 ARG A 63 7.251 13.916 -5.672 1.00 3.11 H new ATOM 0 HG2 ARG A 63 7.118 12.434 -7.439 1.00 3.13 H new ATOM 0 HG3 ARG A 63 8.665 11.989 -6.746 1.00 3.13 H new ATOM 0 HD2 ARG A 63 7.650 10.103 -5.556 1.00 3.11 H new ATOM 0 HD3 ARG A 63 6.047 10.592 -6.068 1.00 3.11 H new ATOM 0 HE ARG A 63 6.495 9.826 -8.278 1.00 2.92 H new ATOM 0 HH11 ARG A 63 9.315 9.508 -6.160 1.00 3.60 H new ATOM 0 HH12 ARG A 63 10.108 8.325 -7.205 1.00 3.60 H new ATOM 0 HH21 ARG A 63 7.504 8.277 -9.589 1.00 3.44 H new ATOM 0 HH22 ARG A 63 9.086 7.632 -9.139 1.00 3.44 H new ATOM 1022 N GLU A 64 8.241 13.579 -1.902 1.00 2.76 N ATOM 1023 CA GLU A 64 7.834 14.455 -0.806 1.00 3.00 C ATOM 1024 C GLU A 64 8.739 14.245 0.399 1.00 3.08 C ATOM 1025 O GLU A 64 9.713 14.974 0.592 1.00 3.72 O ATOM 1026 CB GLU A 64 6.384 14.168 -0.374 1.00 2.97 C ATOM 1027 CG GLU A 64 5.330 14.421 -1.436 1.00 3.43 C ATOM 1028 CD GLU A 64 5.174 15.886 -1.776 1.00 3.74 C ATOM 1029 OE1 GLU A 64 5.547 16.742 -0.946 1.00 4.00 O ATOM 1030 OE2 GLU A 64 4.647 16.191 -2.866 1.00 4.07 O ATOM 0 H GLU A 64 8.722 12.731 -1.601 1.00 2.76 H new ATOM 0 HA GLU A 64 7.910 15.482 -1.164 1.00 3.00 H new ATOM 0 HB2 GLU A 64 6.316 13.127 -0.058 1.00 2.97 H new ATOM 0 HB3 GLU A 64 6.153 14.781 0.497 1.00 2.97 H new ATOM 0 HG2 GLU A 64 5.592 13.870 -2.339 1.00 3.43 H new ATOM 0 HG3 GLU A 64 4.373 14.030 -1.091 1.00 3.43 H new ATOM 1037 N LYS A 65 8.420 13.234 1.198 1.00 2.73 N ATOM 1038 CA LYS A 65 9.158 12.954 2.418 1.00 2.95 C ATOM 1039 C LYS A 65 10.374 12.090 2.121 1.00 2.86 C ATOM 1040 O LYS A 65 11.513 12.553 2.197 1.00 3.37 O ATOM 1041 CB LYS A 65 8.254 12.258 3.437 1.00 3.11 C ATOM 1042 CG LYS A 65 7.027 13.070 3.820 1.00 3.54 C ATOM 1043 CD LYS A 65 6.156 12.325 4.818 1.00 3.77 C ATOM 1044 CE LYS A 65 4.942 13.145 5.227 1.00 3.79 C ATOM 1045 NZ LYS A 65 5.326 14.442 5.843 1.00 4.11 N ATOM 0 H LYS A 65 7.649 12.591 1.019 1.00 2.73 H new ATOM 0 HA LYS A 65 9.499 13.900 2.838 1.00 2.95 H new ATOM 0 HB2 LYS A 65 7.932 11.300 3.029 1.00 3.11 H new ATOM 0 HB3 LYS A 65 8.832 12.044 4.336 1.00 3.11 H new ATOM 0 HG2 LYS A 65 7.339 14.023 4.248 1.00 3.54 H new ATOM 0 HG3 LYS A 65 6.446 13.297 2.926 1.00 3.54 H new ATOM 0 HD2 LYS A 65 5.828 11.382 4.382 1.00 3.77 H new ATOM 0 HD3 LYS A 65 6.744 12.080 5.702 1.00 3.77 H new ATOM 0 HE2 LYS A 65 4.318 13.330 4.352 1.00 3.79 H new ATOM 0 HE3 LYS A 65 4.340 12.573 5.933 1.00 3.79 H new ATOM 0 HZ1 LYS A 65 4.500 14.859 6.317 1.00 4.11 H new ATOM 0 HZ2 LYS A 65 6.082 14.285 6.540 1.00 4.11 H new ATOM 0 HZ3 LYS A 65 5.665 15.090 5.104 1.00 4.11 H new ATOM 1059 N LYS A 66 10.131 10.829 1.793 1.00 2.75 N ATOM 1060 CA LYS A 66 11.205 9.907 1.479 1.00 2.95 C ATOM 1061 C LYS A 66 11.637 10.075 0.028 1.00 3.53 C ATOM 1062 O LYS A 66 12.831 10.344 -0.209 1.00 3.96 O ATOM 1063 CB LYS A 66 10.775 8.461 1.743 1.00 2.95 C ATOM 1064 CG LYS A 66 11.949 7.508 1.908 1.00 3.03 C ATOM 1065 CD LYS A 66 11.498 6.090 2.211 1.00 3.31 C ATOM 1066 CE LYS A 66 12.669 5.219 2.643 1.00 3.21 C ATOM 1067 NZ LYS A 66 13.740 5.159 1.614 1.00 3.29 N ATOM 1068 OXT LYS A 66 10.775 9.970 -0.867 1.00 4.01 O ATOM 0 H LYS A 66 9.197 10.424 1.738 1.00 2.75 H new ATOM 0 HA LYS A 66 12.052 10.134 2.126 1.00 2.95 H new ATOM 0 HB2 LYS A 66 10.161 8.430 2.643 1.00 2.95 H new ATOM 0 HB3 LYS A 66 10.150 8.118 0.918 1.00 2.95 H new ATOM 0 HG2 LYS A 66 12.548 7.510 0.997 1.00 3.03 H new ATOM 0 HG3 LYS A 66 12.592 7.863 2.713 1.00 3.03 H new ATOM 0 HD2 LYS A 66 10.744 6.106 2.998 1.00 3.31 H new ATOM 0 HD3 LYS A 66 11.028 5.659 1.327 1.00 3.31 H new ATOM 0 HE2 LYS A 66 13.084 5.608 3.573 1.00 3.21 H new ATOM 0 HE3 LYS A 66 12.311 4.211 2.850 1.00 3.21 H new ATOM 0 HZ1 LYS A 66 14.441 4.439 1.884 1.00 3.29 H new ATOM 0 HZ2 LYS A 66 13.324 4.909 0.694 1.00 3.29 H new ATOM 0 HZ3 LYS A 66 14.206 6.086 1.543 1.00 3.29 H new TER 1082 LYS A 66