USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 560 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 GLY N :NH3+ -96:sc= 0.0576 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.107 USER MOD Single : A 3 MET CE :methyl -161:sc= -0.213 (180deg=-0.726) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -0.417 X(o=-0.42,f=-0.18) USER MOD Single : A 9 LYS NZ :NH3+ -166:sc= -0.0168 (180deg=-0.213) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -177:sc= 1.18 (180deg=1.13) USER MOD Single : A 17 ASN :FLIP amide:sc= -1.17 F(o=-2.7!,f=-1.2) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 HIS : no HE2:sc= 1.07 K(o=1.1,f=-4.5!) USER MOD Single : A 22 ASN : amide:sc= -0.11 X(o=-0.11,f=-0.6) USER MOD Single : A 28 LYS NZ :NH3+ -168:sc=-0.00674 (180deg=-0.193) USER MOD Single : A 29 LYS NZ :NH3+ 170:sc=-0.00194 (180deg=-0.131) USER MOD Single : B 1 GLY N :NH3+ -110:sc= 0.0536 (180deg=0) USER MOD Single : B 2 SER OG : rot 180:sc= -0.0822 USER MOD Single : B 3 MET CE :methyl -165:sc= -0.179 (180deg=-0.737) USER MOD Single : B 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 5 GLN : amide:sc= -0.359 X(o=-0.36,f=-0.18) USER MOD Single : B 9 LYS NZ :NH3+ -167:sc= -0.0145 (180deg=-0.198) USER MOD Single : B 15 SER OG : rot 180:sc= 0 USER MOD Single : B 16 LYS NZ :NH3+ -174:sc= 1.21 (180deg=1.13) USER MOD Single : B 17 ASN :FLIP amide:sc= -1.76 F(o=-3.2!,f=-1.8) USER MOD Single : B 18 TYR OH : rot 180:sc= 0 USER MOD Single : B 19 HIS : no HE2:sc= 1.14 K(o=1.1,f=-4.5!) USER MOD Single : B 22 ASN : amide:sc= -0.124 K(o=-0.12,f=-0.78) USER MOD Single : B 28 LYS NZ :NH3+ -169:sc=-0.00747 (180deg=-0.191) USER MOD Single : B 29 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.111) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 20.318 -2.440 -8.080 1.00 0.00 N ATOM 2 CA GLY A 1 20.070 -1.059 -7.604 1.00 0.00 C ATOM 3 C GLY A 1 20.894 -0.729 -6.380 1.00 0.00 C ATOM 4 O GLY A 1 21.357 -1.629 -5.681 1.00 0.00 O ATOM 0 H1 GLY A 1 21.028 -2.423 -8.840 1.00 0.00 H new ATOM 0 H2 GLY A 1 20.668 -3.021 -7.292 1.00 0.00 H new ATOM 0 H3 GLY A 1 19.432 -2.846 -8.443 1.00 0.00 H new ATOM 0 HA2 GLY A 1 20.304 -0.353 -8.401 1.00 0.00 H new ATOM 0 HA3 GLY A 1 19.012 -0.939 -7.372 1.00 0.00 H new ATOM 10 N SER A 2 21.090 0.556 -6.129 1.00 0.00 N ATOM 11 CA SER A 2 21.830 1.002 -4.962 1.00 0.00 C ATOM 12 C SER A 2 20.909 1.087 -3.747 1.00 0.00 C ATOM 13 O SER A 2 19.701 0.862 -3.868 1.00 0.00 O ATOM 14 CB SER A 2 22.461 2.363 -5.246 1.00 0.00 C ATOM 15 OG SER A 2 21.474 3.301 -5.651 1.00 0.00 O ATOM 0 H SER A 2 20.744 1.311 -6.722 1.00 0.00 H new ATOM 0 HA SER A 2 22.618 0.281 -4.743 1.00 0.00 H new ATOM 0 HB2 SER A 2 22.970 2.726 -4.353 1.00 0.00 H new ATOM 0 HB3 SER A 2 23.216 2.263 -6.026 1.00 0.00 H new ATOM 0 HG SER A 2 21.898 4.167 -5.827 1.00 0.00 H new ATOM 21 N MET A 3 21.459 1.418 -2.585 1.00 0.00 N ATOM 22 CA MET A 3 20.641 1.554 -1.387 1.00 0.00 C ATOM 23 C MET A 3 19.726 2.771 -1.525 1.00 0.00 C ATOM 24 O MET A 3 18.626 2.794 -0.979 1.00 0.00 O ATOM 25 CB MET A 3 21.514 1.662 -0.115 1.00 0.00 C ATOM 26 CG MET A 3 22.009 3.068 0.195 1.00 0.00 C ATOM 27 SD MET A 3 23.036 3.135 1.676 1.00 0.00 S ATOM 28 CE MET A 3 21.910 2.495 2.914 1.00 0.00 C ATOM 0 H MET A 3 22.454 1.595 -2.447 1.00 0.00 H new ATOM 0 HA MET A 3 20.029 0.658 -1.283 1.00 0.00 H new ATOM 0 HB2 MET A 3 20.940 1.297 0.736 1.00 0.00 H new ATOM 0 HB3 MET A 3 22.376 1.003 -0.224 1.00 0.00 H new ATOM 0 HG2 MET A 3 22.579 3.443 -0.655 1.00 0.00 H new ATOM 0 HG3 MET A 3 21.153 3.730 0.322 1.00 0.00 H new ATOM 0 HE1 MET A 3 22.259 2.782 3.906 1.00 0.00 H new ATOM 0 HE2 MET A 3 20.914 2.905 2.747 1.00 0.00 H new ATOM 0 HE3 MET A 3 21.871 1.408 2.843 1.00 0.00 H new ATOM 38 N LYS A 4 20.178 3.771 -2.281 1.00 0.00 N ATOM 39 CA LYS A 4 19.360 4.944 -2.565 1.00 0.00 C ATOM 40 C LYS A 4 18.123 4.545 -3.357 1.00 0.00 C ATOM 41 O LYS A 4 17.008 4.932 -3.018 1.00 0.00 O ATOM 42 CB LYS A 4 20.163 5.989 -3.345 1.00 0.00 C ATOM 43 CG LYS A 4 19.343 7.204 -3.751 1.00 0.00 C ATOM 44 CD LYS A 4 20.160 8.189 -4.571 1.00 0.00 C ATOM 45 CE LYS A 4 21.255 8.836 -3.741 1.00 0.00 C ATOM 46 NZ LYS A 4 22.080 9.772 -4.546 1.00 0.00 N ATOM 0 H LYS A 4 21.105 3.790 -2.706 1.00 0.00 H new ATOM 0 HA LYS A 4 19.050 5.381 -1.616 1.00 0.00 H new ATOM 0 HB2 LYS A 4 21.006 6.316 -2.737 1.00 0.00 H new ATOM 0 HB3 LYS A 4 20.577 5.524 -4.240 1.00 0.00 H new ATOM 0 HG2 LYS A 4 18.477 6.881 -4.328 1.00 0.00 H new ATOM 0 HG3 LYS A 4 18.964 7.701 -2.858 1.00 0.00 H new ATOM 0 HD2 LYS A 4 20.605 7.673 -5.422 1.00 0.00 H new ATOM 0 HD3 LYS A 4 19.504 8.961 -4.973 1.00 0.00 H new ATOM 0 HE2 LYS A 4 20.807 9.374 -2.905 1.00 0.00 H new ATOM 0 HE3 LYS A 4 21.894 8.062 -3.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 22.816 10.193 -3.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 22.528 9.254 -5.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 21.475 10.525 -4.930 1.00 0.00 H new ATOM 60 N GLN A 5 18.329 3.749 -4.399 1.00 0.00 N ATOM 61 CA GLN A 5 17.229 3.273 -5.231 1.00 0.00 C ATOM 62 C GLN A 5 16.235 2.467 -4.404 1.00 0.00 C ATOM 63 O GLN A 5 15.028 2.537 -4.626 1.00 0.00 O ATOM 64 CB GLN A 5 17.762 2.426 -6.385 1.00 0.00 C ATOM 65 CG GLN A 5 18.553 3.225 -7.406 1.00 0.00 C ATOM 66 CD GLN A 5 17.712 4.288 -8.089 1.00 0.00 C ATOM 67 OE1 GLN A 5 17.084 4.034 -9.116 1.00 0.00 O ATOM 68 NE2 GLN A 5 17.698 5.487 -7.530 1.00 0.00 N ATOM 0 H GLN A 5 19.249 3.419 -4.689 1.00 0.00 H new ATOM 0 HA GLN A 5 16.713 4.141 -5.641 1.00 0.00 H new ATOM 0 HB2 GLN A 5 18.396 1.636 -5.983 1.00 0.00 H new ATOM 0 HB3 GLN A 5 16.925 1.939 -6.885 1.00 0.00 H new ATOM 0 HG2 GLN A 5 19.402 3.699 -6.913 1.00 0.00 H new ATOM 0 HG3 GLN A 5 18.958 2.548 -8.158 1.00 0.00 H new ATOM 0 HE21 GLN A 5 18.232 5.659 -6.678 1.00 0.00 H new ATOM 0 HE22 GLN A 5 17.153 6.240 -7.951 1.00 0.00 H new ATOM 77 N LEU A 6 16.749 1.714 -3.441 1.00 0.00 N ATOM 78 CA LEU A 6 15.893 0.941 -2.550 1.00 0.00 C ATOM 79 C LEU A 6 15.147 1.872 -1.603 1.00 0.00 C ATOM 80 O LEU A 6 13.978 1.655 -1.300 1.00 0.00 O ATOM 81 CB LEU A 6 16.703 -0.092 -1.753 1.00 0.00 C ATOM 82 CG LEU A 6 17.383 -1.186 -2.586 1.00 0.00 C ATOM 83 CD1 LEU A 6 18.174 -2.122 -1.690 1.00 0.00 C ATOM 84 CD2 LEU A 6 16.353 -1.966 -3.391 1.00 0.00 C ATOM 0 H LEU A 6 17.748 1.622 -3.257 1.00 0.00 H new ATOM 0 HA LEU A 6 15.171 0.399 -3.161 1.00 0.00 H new ATOM 0 HB2 LEU A 6 17.469 0.434 -1.183 1.00 0.00 H new ATOM 0 HB3 LEU A 6 16.040 -0.569 -1.031 1.00 0.00 H new ATOM 0 HG LEU A 6 18.072 -0.707 -3.282 1.00 0.00 H new ATOM 0 HD11 LEU A 6 18.650 -2.892 -2.298 1.00 0.00 H new ATOM 0 HD12 LEU A 6 18.938 -1.556 -1.157 1.00 0.00 H new ATOM 0 HD13 LEU A 6 17.503 -2.591 -0.971 1.00 0.00 H new ATOM 0 HD21 LEU A 6 16.856 -2.737 -3.975 1.00 0.00 H new ATOM 0 HD22 LEU A 6 15.638 -2.432 -2.713 1.00 0.00 H new ATOM 0 HD23 LEU A 6 15.826 -1.288 -4.063 1.00 0.00 H new ATOM 96 N GLU A 7 15.828 2.922 -1.158 1.00 0.00 N ATOM 97 CA GLU A 7 15.232 3.917 -0.282 1.00 0.00 C ATOM 98 C GLU A 7 14.089 4.638 -0.993 1.00 0.00 C ATOM 99 O GLU A 7 13.021 4.850 -0.417 1.00 0.00 O ATOM 100 CB GLU A 7 16.299 4.918 0.165 1.00 0.00 C ATOM 101 CG GLU A 7 15.751 6.121 0.907 1.00 0.00 C ATOM 102 CD GLU A 7 16.821 7.147 1.196 1.00 0.00 C ATOM 103 OE1 GLU A 7 17.346 7.162 2.328 1.00 0.00 O ATOM 104 OE2 GLU A 7 17.151 7.938 0.292 1.00 0.00 O ATOM 0 H GLU A 7 16.803 3.105 -1.394 1.00 0.00 H new ATOM 0 HA GLU A 7 14.825 3.417 0.597 1.00 0.00 H new ATOM 0 HB2 GLU A 7 17.016 4.405 0.806 1.00 0.00 H new ATOM 0 HB3 GLU A 7 16.846 5.264 -0.712 1.00 0.00 H new ATOM 0 HG2 GLU A 7 14.959 6.581 0.316 1.00 0.00 H new ATOM 0 HG3 GLU A 7 15.301 5.794 1.844 1.00 0.00 H new ATOM 111 N ASP A 8 14.316 5.001 -2.252 1.00 0.00 N ATOM 112 CA ASP A 8 13.288 5.651 -3.060 1.00 0.00 C ATOM 113 C ASP A 8 12.083 4.739 -3.237 1.00 0.00 C ATOM 114 O ASP A 8 10.948 5.208 -3.337 1.00 0.00 O ATOM 115 CB ASP A 8 13.842 6.058 -4.426 1.00 0.00 C ATOM 116 CG ASP A 8 14.622 7.355 -4.369 1.00 0.00 C ATOM 117 OD1 ASP A 8 15.864 7.312 -4.269 1.00 0.00 O ATOM 118 OD2 ASP A 8 13.991 8.432 -4.419 1.00 0.00 O ATOM 0 H ASP A 8 15.203 4.856 -2.735 1.00 0.00 H new ATOM 0 HA ASP A 8 12.971 6.551 -2.533 1.00 0.00 H new ATOM 0 HB2 ASP A 8 14.487 5.265 -4.804 1.00 0.00 H new ATOM 0 HB3 ASP A 8 13.019 6.163 -5.132 1.00 0.00 H new ATOM 123 N LYS A 9 12.336 3.439 -3.266 1.00 0.00 N ATOM 124 CA LYS A 9 11.271 2.448 -3.337 1.00 0.00 C ATOM 125 C LYS A 9 10.475 2.409 -2.045 1.00 0.00 C ATOM 126 O LYS A 9 9.244 2.410 -2.062 1.00 0.00 O ATOM 127 CB LYS A 9 11.843 1.059 -3.574 1.00 0.00 C ATOM 128 CG LYS A 9 12.345 0.776 -4.990 1.00 0.00 C ATOM 129 CD LYS A 9 12.978 -0.601 -5.080 1.00 0.00 C ATOM 130 CE LYS A 9 13.463 -0.902 -6.489 1.00 0.00 C ATOM 131 NZ LYS A 9 12.345 -0.918 -7.471 1.00 0.00 N ATOM 0 H LYS A 9 13.276 3.043 -3.241 1.00 0.00 H new ATOM 0 HA LYS A 9 10.623 2.736 -4.165 1.00 0.00 H new ATOM 0 HB2 LYS A 9 12.668 0.904 -2.879 1.00 0.00 H new ATOM 0 HB3 LYS A 9 11.076 0.325 -3.328 1.00 0.00 H new ATOM 0 HG2 LYS A 9 11.516 0.845 -5.694 1.00 0.00 H new ATOM 0 HG3 LYS A 9 13.073 1.534 -5.280 1.00 0.00 H new ATOM 0 HD2 LYS A 9 13.815 -0.663 -4.385 1.00 0.00 H new ATOM 0 HD3 LYS A 9 12.253 -1.356 -4.775 1.00 0.00 H new ATOM 0 HE2 LYS A 9 14.197 -0.154 -6.787 1.00 0.00 H new ATOM 0 HE3 LYS A 9 13.969 -1.867 -6.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 12.669 -1.353 -8.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 11.552 -1.469 -7.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 12.032 0.056 -7.657 1.00 0.00 H new ATOM 145 N VAL A 10 11.199 2.382 -0.930 1.00 0.00 N ATOM 146 CA VAL A 10 10.596 2.366 0.402 1.00 0.00 C ATOM 147 C VAL A 10 9.701 3.580 0.524 1.00 0.00 C ATOM 148 O VAL A 10 8.681 3.580 1.210 1.00 0.00 O ATOM 149 CB VAL A 10 11.670 2.413 1.517 1.00 0.00 C ATOM 150 CG1 VAL A 10 11.029 2.459 2.896 1.00 0.00 C ATOM 151 CG2 VAL A 10 12.606 1.221 1.417 1.00 0.00 C ATOM 0 H VAL A 10 12.219 2.371 -0.923 1.00 0.00 H new ATOM 0 HA VAL A 10 10.032 1.441 0.523 1.00 0.00 H new ATOM 0 HB VAL A 10 12.250 3.325 1.377 1.00 0.00 H new ATOM 0 HG11 VAL A 10 11.808 2.491 3.658 1.00 0.00 H new ATOM 0 HG12 VAL A 10 10.404 3.349 2.977 1.00 0.00 H new ATOM 0 HG13 VAL A 10 10.415 1.570 3.042 1.00 0.00 H new ATOM 0 HG21 VAL A 10 13.351 1.276 2.210 1.00 0.00 H new ATOM 0 HG22 VAL A 10 12.034 0.299 1.520 1.00 0.00 H new ATOM 0 HG23 VAL A 10 13.106 1.231 0.448 1.00 0.00 H new ATOM 161 N GLU A 11 10.096 4.595 -0.216 1.00 0.00 N ATOM 162 CA GLU A 11 9.412 5.879 -0.221 1.00 0.00 C ATOM 163 C GLU A 11 8.142 5.806 -1.074 1.00 0.00 C ATOM 164 O GLU A 11 7.037 6.017 -0.567 1.00 0.00 O ATOM 165 CB GLU A 11 10.364 6.967 -0.742 1.00 0.00 C ATOM 166 CG GLU A 11 9.950 8.399 -0.417 1.00 0.00 C ATOM 167 CD GLU A 11 8.714 8.859 -1.164 1.00 0.00 C ATOM 168 OE1 GLU A 11 7.720 9.228 -0.504 1.00 0.00 O ATOM 169 OE2 GLU A 11 8.729 8.848 -2.414 1.00 0.00 O ATOM 0 H GLU A 11 10.905 4.556 -0.836 1.00 0.00 H new ATOM 0 HA GLU A 11 9.115 6.132 0.797 1.00 0.00 H new ATOM 0 HB2 GLU A 11 11.356 6.789 -0.327 1.00 0.00 H new ATOM 0 HB3 GLU A 11 10.448 6.866 -1.824 1.00 0.00 H new ATOM 0 HG2 GLU A 11 9.768 8.481 0.655 1.00 0.00 H new ATOM 0 HG3 GLU A 11 10.777 9.069 -0.652 1.00 0.00 H new ATOM 176 N GLU A 12 8.295 5.480 -2.362 1.00 0.00 N ATOM 177 CA GLU A 12 7.160 5.516 -3.289 1.00 0.00 C ATOM 178 C GLU A 12 6.093 4.486 -2.912 1.00 0.00 C ATOM 179 O GLU A 12 4.896 4.781 -2.926 1.00 0.00 O ATOM 180 CB GLU A 12 7.627 5.308 -4.737 1.00 0.00 C ATOM 181 CG GLU A 12 8.448 4.048 -4.952 1.00 0.00 C ATOM 182 CD GLU A 12 8.929 3.905 -6.381 1.00 0.00 C ATOM 183 OE1 GLU A 12 10.086 4.275 -6.663 1.00 0.00 O ATOM 184 OE2 GLU A 12 8.149 3.427 -7.234 1.00 0.00 O ATOM 0 H GLU A 12 9.179 5.193 -2.781 1.00 0.00 H new ATOM 0 HA GLU A 12 6.708 6.505 -3.213 1.00 0.00 H new ATOM 0 HB2 GLU A 12 6.753 5.274 -5.387 1.00 0.00 H new ATOM 0 HB3 GLU A 12 8.219 6.170 -5.043 1.00 0.00 H new ATOM 0 HG2 GLU A 12 9.308 4.060 -4.282 1.00 0.00 H new ATOM 0 HG3 GLU A 12 7.848 3.178 -4.685 1.00 0.00 H new ATOM 191 N LEU A 13 6.531 3.279 -2.585 1.00 0.00 N ATOM 192 CA LEU A 13 5.626 2.219 -2.148 1.00 0.00 C ATOM 193 C LEU A 13 4.869 2.612 -0.878 1.00 0.00 C ATOM 194 O LEU A 13 3.678 2.341 -0.763 1.00 0.00 O ATOM 195 CB LEU A 13 6.396 0.918 -1.909 1.00 0.00 C ATOM 196 CG LEU A 13 7.053 0.310 -3.150 1.00 0.00 C ATOM 197 CD1 LEU A 13 7.834 -0.940 -2.777 1.00 0.00 C ATOM 198 CD2 LEU A 13 6.008 -0.014 -4.208 1.00 0.00 C ATOM 0 H LEU A 13 7.513 3.006 -2.613 1.00 0.00 H new ATOM 0 HA LEU A 13 4.898 2.065 -2.945 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.169 1.104 -1.163 1.00 0.00 H new ATOM 0 HB3 LEU A 13 5.712 0.183 -1.483 1.00 0.00 H new ATOM 0 HG LEU A 13 7.745 1.043 -3.565 1.00 0.00 H new ATOM 0 HD11 LEU A 13 8.295 -1.361 -3.670 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.609 -0.683 -2.055 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.158 -1.674 -2.338 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.496 -0.445 -5.082 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.290 -0.728 -3.804 1.00 0.00 H new ATOM 0 HD23 LEU A 13 5.488 0.899 -4.497 1.00 0.00 H new ATOM 210 N LEU A 14 5.560 3.241 0.070 1.00 0.00 N ATOM 211 CA LEU A 14 4.944 3.677 1.317 1.00 0.00 C ATOM 212 C LEU A 14 3.874 4.736 1.054 1.00 0.00 C ATOM 213 O LEU A 14 2.813 4.712 1.681 1.00 0.00 O ATOM 214 CB LEU A 14 6.007 4.214 2.283 1.00 0.00 C ATOM 215 CG LEU A 14 5.509 4.581 3.682 1.00 0.00 C ATOM 216 CD1 LEU A 14 5.045 3.343 4.435 1.00 0.00 C ATOM 217 CD2 LEU A 14 6.604 5.298 4.460 1.00 0.00 C ATOM 0 H LEU A 14 6.553 3.460 -0.005 1.00 0.00 H new ATOM 0 HA LEU A 14 4.462 2.815 1.778 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.793 3.465 2.382 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.464 5.097 1.837 1.00 0.00 H new ATOM 0 HG LEU A 14 4.657 5.252 3.577 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.696 3.630 5.427 1.00 0.00 H new ATOM 0 HD12 LEU A 14 4.231 2.868 3.887 1.00 0.00 H new ATOM 0 HD13 LEU A 14 5.875 2.643 4.531 1.00 0.00 H new ATOM 0 HD21 LEU A 14 6.236 5.554 5.454 1.00 0.00 H new ATOM 0 HD22 LEU A 14 7.472 4.646 4.551 1.00 0.00 H new ATOM 0 HD23 LEU A 14 6.888 6.209 3.933 1.00 0.00 H new ATOM 229 N SER A 15 4.144 5.656 0.126 1.00 0.00 N ATOM 230 CA SER A 15 3.149 6.646 -0.270 1.00 0.00 C ATOM 231 C SER A 15 1.880 5.955 -0.770 1.00 0.00 C ATOM 232 O SER A 15 0.769 6.284 -0.346 1.00 0.00 O ATOM 233 CB SER A 15 3.712 7.566 -1.357 1.00 0.00 C ATOM 234 OG SER A 15 2.742 8.506 -1.788 1.00 0.00 O ATOM 0 H SER A 15 5.037 5.734 -0.360 1.00 0.00 H new ATOM 0 HA SER A 15 2.898 7.250 0.602 1.00 0.00 H new ATOM 0 HB2 SER A 15 4.587 8.092 -0.974 1.00 0.00 H new ATOM 0 HB3 SER A 15 4.045 6.969 -2.206 1.00 0.00 H new ATOM 0 HG SER A 15 3.129 9.081 -2.481 1.00 0.00 H new ATOM 240 N LYS A 16 2.057 4.979 -1.654 1.00 0.00 N ATOM 241 CA LYS A 16 0.939 4.222 -2.203 1.00 0.00 C ATOM 242 C LYS A 16 0.290 3.362 -1.119 1.00 0.00 C ATOM 243 O LYS A 16 -0.930 3.230 -1.066 1.00 0.00 O ATOM 244 CB LYS A 16 1.430 3.350 -3.363 1.00 0.00 C ATOM 245 CG LYS A 16 0.352 2.503 -4.021 1.00 0.00 C ATOM 246 CD LYS A 16 0.942 1.628 -5.118 1.00 0.00 C ATOM 247 CE LYS A 16 -0.064 0.618 -5.646 1.00 0.00 C ATOM 248 NZ LYS A 16 -1.208 1.266 -6.336 1.00 0.00 N ATOM 0 H LYS A 16 2.970 4.693 -2.007 1.00 0.00 H new ATOM 0 HA LYS A 16 0.187 4.917 -2.576 1.00 0.00 H new ATOM 0 HB2 LYS A 16 1.879 3.994 -4.119 1.00 0.00 H new ATOM 0 HB3 LYS A 16 2.217 2.691 -2.997 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -0.132 1.877 -3.272 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -0.418 3.150 -4.441 1.00 0.00 H new ATOM 0 HD2 LYS A 16 1.287 2.258 -5.938 1.00 0.00 H new ATOM 0 HD3 LYS A 16 1.815 1.102 -4.731 1.00 0.00 H new ATOM 0 HE2 LYS A 16 0.436 -0.061 -6.337 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -0.437 0.014 -4.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -1.891 0.540 -6.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -1.672 1.933 -5.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -0.863 1.780 -7.172 1.00 0.00 H new ATOM 262 N ASN A 17 1.123 2.784 -0.259 1.00 0.00 N ATOM 263 CA ASN A 17 0.659 1.975 0.863 1.00 0.00 C ATOM 264 C ASN A 17 -0.295 2.768 1.750 1.00 0.00 C ATOM 265 O ASN A 17 -1.421 2.339 2.005 1.00 0.00 O ATOM 266 CB ASN A 17 1.862 1.498 1.685 1.00 0.00 C ATOM 267 CG ASN A 17 1.475 0.593 2.844 1.00 0.00 C ATOM 268 OD1 ASN A 17 1.537 -0.718 2.643 1.00 0.00 O flip ATOM 269 ND2 ASN A 17 1.148 1.068 3.928 1.00 0.00 N flip ATOM 0 H ASN A 17 2.138 2.863 -0.320 1.00 0.00 H new ATOM 0 HA ASN A 17 0.120 1.113 0.469 1.00 0.00 H new ATOM 0 HB2 ASN A 17 2.552 0.965 1.031 1.00 0.00 H new ATOM 0 HB3 ASN A 17 2.396 2.366 2.073 1.00 0.00 H new ATOM 0 HD21 ASN A 17 1.110 2.080 4.051 1.00 0.00 H new ATOM 0 HD22 ASN A 17 0.914 0.451 4.706 1.00 0.00 H new ATOM 276 N TYR A 18 0.153 3.936 2.199 1.00 0.00 N ATOM 277 CA TYR A 18 -0.671 4.787 3.053 1.00 0.00 C ATOM 278 C TYR A 18 -1.925 5.226 2.312 1.00 0.00 C ATOM 279 O TYR A 18 -3.004 5.318 2.898 1.00 0.00 O ATOM 280 CB TYR A 18 0.102 6.023 3.538 1.00 0.00 C ATOM 281 CG TYR A 18 1.080 5.751 4.664 1.00 0.00 C ATOM 282 CD1 TYR A 18 0.752 4.891 5.707 1.00 0.00 C ATOM 283 CD2 TYR A 18 2.329 6.365 4.694 1.00 0.00 C ATOM 284 CE1 TYR A 18 1.639 4.648 6.737 1.00 0.00 C ATOM 285 CE2 TYR A 18 3.218 6.123 5.723 1.00 0.00 C ATOM 286 CZ TYR A 18 2.869 5.264 6.740 1.00 0.00 C ATOM 287 OH TYR A 18 3.754 5.016 7.768 1.00 0.00 O ATOM 0 H TYR A 18 1.076 4.314 1.988 1.00 0.00 H new ATOM 0 HA TYR A 18 -0.952 4.198 3.926 1.00 0.00 H new ATOM 0 HB2 TYR A 18 0.647 6.449 2.695 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -0.613 6.776 3.869 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -0.213 4.405 5.711 1.00 0.00 H new ATOM 0 HD2 TYR A 18 2.607 7.042 3.900 1.00 0.00 H new ATOM 0 HE1 TYR A 18 1.368 3.976 7.538 1.00 0.00 H new ATOM 0 HE2 TYR A 18 4.184 6.606 5.729 1.00 0.00 H new ATOM 0 HH TYR A 18 4.577 5.527 7.621 1.00 0.00 H new ATOM 297 N HIS A 19 -1.771 5.475 1.016 1.00 0.00 N ATOM 298 CA HIS A 19 -2.880 5.900 0.174 1.00 0.00 C ATOM 299 C HIS A 19 -3.967 4.832 0.150 1.00 0.00 C ATOM 300 O HIS A 19 -5.130 5.118 0.415 1.00 0.00 O ATOM 301 CB HIS A 19 -2.387 6.166 -1.249 1.00 0.00 C ATOM 302 CG HIS A 19 -3.295 7.037 -2.064 1.00 0.00 C ATOM 303 ND1 HIS A 19 -4.595 6.704 -2.386 1.00 0.00 N ATOM 304 CD2 HIS A 19 -3.068 8.240 -2.640 1.00 0.00 C ATOM 305 CE1 HIS A 19 -5.121 7.661 -3.124 1.00 0.00 C ATOM 306 NE2 HIS A 19 -4.216 8.603 -3.292 1.00 0.00 N ATOM 0 H HIS A 19 -0.882 5.389 0.524 1.00 0.00 H new ATOM 0 HA HIS A 19 -3.296 6.819 0.587 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -1.403 6.633 -1.199 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -2.261 5.212 -1.762 1.00 0.00 H new ATOM 0 HD1 HIS A 19 -5.074 5.851 -2.098 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -2.151 8.809 -2.594 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -6.124 7.671 -3.523 1.00 0.00 H new ATOM 315 N LEU A 20 -3.573 3.596 -0.149 1.00 0.00 N ATOM 316 CA LEU A 20 -4.522 2.492 -0.255 1.00 0.00 C ATOM 317 C LEU A 20 -5.255 2.265 1.057 1.00 0.00 C ATOM 318 O LEU A 20 -6.459 2.003 1.063 1.00 0.00 O ATOM 319 CB LEU A 20 -3.820 1.203 -0.686 1.00 0.00 C ATOM 320 CG LEU A 20 -3.123 1.270 -2.046 1.00 0.00 C ATOM 321 CD1 LEU A 20 -2.386 -0.023 -2.328 1.00 0.00 C ATOM 322 CD2 LEU A 20 -4.131 1.556 -3.149 1.00 0.00 C ATOM 0 H LEU A 20 -2.602 3.335 -0.322 1.00 0.00 H new ATOM 0 HA LEU A 20 -5.252 2.766 -1.017 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.082 0.939 0.071 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.554 0.398 -0.710 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.398 2.084 -2.021 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.896 0.042 -3.299 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.637 -0.191 -1.554 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.094 -0.852 -2.334 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -3.617 1.600 -4.109 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -4.878 0.763 -3.174 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -4.621 2.510 -2.956 1.00 0.00 H new ATOM 334 N GLU A 21 -4.538 2.395 2.171 1.00 0.00 N ATOM 335 CA GLU A 21 -5.132 2.153 3.479 1.00 0.00 C ATOM 336 C GLU A 21 -6.207 3.197 3.777 1.00 0.00 C ATOM 337 O GLU A 21 -7.107 2.962 4.587 1.00 0.00 O ATOM 338 CB GLU A 21 -4.063 2.163 4.583 1.00 0.00 C ATOM 339 CG GLU A 21 -4.365 1.212 5.738 1.00 0.00 C ATOM 340 CD GLU A 21 -3.401 1.361 6.898 1.00 0.00 C ATOM 341 OE1 GLU A 21 -3.487 2.374 7.621 1.00 0.00 O ATOM 342 OE2 GLU A 21 -2.562 0.458 7.103 1.00 0.00 O ATOM 0 H GLU A 21 -3.554 2.664 2.193 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.593 1.166 3.461 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -3.100 1.896 4.147 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -3.966 3.176 4.974 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -5.380 1.391 6.092 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -4.330 0.185 5.374 1.00 0.00 H new ATOM 349 N ASN A 22 -6.110 4.345 3.112 1.00 0.00 N ATOM 350 CA ASN A 22 -7.116 5.394 3.243 1.00 0.00 C ATOM 351 C ASN A 22 -8.418 4.949 2.595 1.00 0.00 C ATOM 352 O ASN A 22 -9.477 4.986 3.225 1.00 0.00 O ATOM 353 CB ASN A 22 -6.643 6.701 2.599 1.00 0.00 C ATOM 354 CG ASN A 22 -5.420 7.291 3.275 1.00 0.00 C ATOM 355 OD1 ASN A 22 -5.209 7.119 4.477 1.00 0.00 O ATOM 356 ND2 ASN A 22 -4.609 8.002 2.508 1.00 0.00 N ATOM 0 H ASN A 22 -5.345 4.572 2.477 1.00 0.00 H new ATOM 0 HA ASN A 22 -7.277 5.574 4.306 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -6.418 6.520 1.548 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -7.454 7.428 2.630 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -3.774 8.431 2.908 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -4.819 8.121 1.517 1.00 0.00 H new ATOM 363 N GLU A 23 -8.331 4.513 1.336 1.00 0.00 N ATOM 364 CA GLU A 23 -9.505 4.036 0.612 1.00 0.00 C ATOM 365 C GLU A 23 -10.154 2.872 1.346 1.00 0.00 C ATOM 366 O GLU A 23 -11.377 2.814 1.454 1.00 0.00 O ATOM 367 CB GLU A 23 -9.163 3.610 -0.822 1.00 0.00 C ATOM 368 CG GLU A 23 -8.946 4.764 -1.791 1.00 0.00 C ATOM 369 CD GLU A 23 -7.641 5.493 -1.571 1.00 0.00 C ATOM 370 OE1 GLU A 23 -7.659 6.582 -0.956 1.00 0.00 O ATOM 371 OE2 GLU A 23 -6.594 4.988 -2.030 1.00 0.00 O ATOM 0 H GLU A 23 -7.463 4.482 0.801 1.00 0.00 H new ATOM 0 HA GLU A 23 -10.205 4.870 0.561 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -8.262 2.997 -0.800 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -9.968 2.980 -1.202 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -8.973 4.382 -2.812 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -9.770 5.471 -1.693 1.00 0.00 H new ATOM 378 N VAL A 24 -9.328 1.958 1.862 1.00 0.00 N ATOM 379 CA VAL A 24 -9.831 0.808 2.610 1.00 0.00 C ATOM 380 C VAL A 24 -10.758 1.267 3.738 1.00 0.00 C ATOM 381 O VAL A 24 -11.899 0.816 3.846 1.00 0.00 O ATOM 382 CB VAL A 24 -8.689 -0.034 3.226 1.00 0.00 C ATOM 383 CG1 VAL A 24 -9.250 -1.187 4.045 1.00 0.00 C ATOM 384 CG2 VAL A 24 -7.761 -0.562 2.146 1.00 0.00 C ATOM 0 H VAL A 24 -8.312 1.993 1.775 1.00 0.00 H new ATOM 0 HA VAL A 24 -10.376 0.188 1.898 1.00 0.00 H new ATOM 0 HB VAL A 24 -8.115 0.615 3.887 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -8.429 -1.766 4.469 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -9.870 -0.793 4.850 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -9.853 -1.829 3.403 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -6.967 -1.151 2.605 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -8.325 -1.189 1.456 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -7.324 0.275 1.601 1.00 0.00 H new ATOM 394 N ALA A 25 -10.255 2.183 4.562 1.00 0.00 N ATOM 395 CA ALA A 25 -11.010 2.709 5.696 1.00 0.00 C ATOM 396 C ALA A 25 -12.291 3.422 5.253 1.00 0.00 C ATOM 397 O ALA A 25 -13.359 3.204 5.826 1.00 0.00 O ATOM 398 CB ALA A 25 -10.139 3.651 6.510 1.00 0.00 C ATOM 0 H ALA A 25 -9.320 2.579 4.464 1.00 0.00 H new ATOM 0 HA ALA A 25 -11.306 1.862 6.315 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -10.711 4.038 7.353 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -9.267 3.112 6.880 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -9.813 4.480 5.882 1.00 0.00 H new ATOM 404 N ARG A 26 -12.181 4.266 4.230 1.00 0.00 N ATOM 405 CA ARG A 26 -13.332 5.014 3.729 1.00 0.00 C ATOM 406 C ARG A 26 -14.412 4.065 3.239 1.00 0.00 C ATOM 407 O ARG A 26 -15.573 4.162 3.643 1.00 0.00 O ATOM 408 CB ARG A 26 -12.924 5.941 2.581 1.00 0.00 C ATOM 409 CG ARG A 26 -11.860 6.965 2.942 1.00 0.00 C ATOM 410 CD ARG A 26 -12.302 7.875 4.080 1.00 0.00 C ATOM 411 NE ARG A 26 -12.007 7.304 5.394 1.00 0.00 N ATOM 412 CZ ARG A 26 -12.797 7.422 6.461 1.00 0.00 C ATOM 413 NH1 ARG A 26 -13.959 8.060 6.371 1.00 0.00 N ATOM 414 NH2 ARG A 26 -12.420 6.903 7.621 1.00 0.00 N ATOM 0 H ARG A 26 -11.309 4.449 3.733 1.00 0.00 H new ATOM 0 HA ARG A 26 -13.719 5.614 4.553 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -12.559 5.333 1.753 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -13.809 6.467 2.224 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -10.943 6.449 3.227 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -11.627 7.569 2.065 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -11.804 8.840 3.985 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -13.373 8.060 3.999 1.00 0.00 H new ATOM 0 HE ARG A 26 -11.138 6.780 5.501 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -14.252 8.463 5.481 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -14.558 8.146 7.192 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -11.527 6.415 7.695 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -13.022 6.992 8.439 1.00 0.00 H new ATOM 428 N LEU A 27 -14.013 3.148 2.369 1.00 0.00 N ATOM 429 CA LEU A 27 -14.930 2.167 1.798 1.00 0.00 C ATOM 430 C LEU A 27 -15.540 1.274 2.876 1.00 0.00 C ATOM 431 O LEU A 27 -16.658 0.782 2.719 1.00 0.00 O ATOM 432 CB LEU A 27 -14.204 1.312 0.757 1.00 0.00 C ATOM 433 CG LEU A 27 -13.677 2.076 -0.454 1.00 0.00 C ATOM 434 CD1 LEU A 27 -12.816 1.174 -1.316 1.00 0.00 C ATOM 435 CD2 LEU A 27 -14.823 2.653 -1.269 1.00 0.00 C ATOM 0 H LEU A 27 -13.052 3.062 2.040 1.00 0.00 H new ATOM 0 HA LEU A 27 -15.742 2.711 1.316 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -13.367 0.809 1.242 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -14.885 0.535 0.409 1.00 0.00 H new ATOM 0 HG LEU A 27 -13.064 2.903 -0.095 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -12.448 1.735 -2.175 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -11.971 0.810 -0.731 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -13.409 0.327 -1.662 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -14.423 3.193 -2.127 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -15.466 1.844 -1.617 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -15.403 3.336 -0.648 1.00 0.00 H new ATOM 447 N LYS A 28 -14.815 1.089 3.974 1.00 0.00 N ATOM 448 CA LYS A 28 -15.274 0.242 5.063 1.00 0.00 C ATOM 449 C LYS A 28 -16.489 0.872 5.731 1.00 0.00 C ATOM 450 O LYS A 28 -17.517 0.223 5.914 1.00 0.00 O ATOM 451 CB LYS A 28 -14.162 0.048 6.096 1.00 0.00 C ATOM 452 CG LYS A 28 -14.033 -1.378 6.609 1.00 0.00 C ATOM 453 CD LYS A 28 -13.450 -2.294 5.546 1.00 0.00 C ATOM 454 CE LYS A 28 -13.334 -3.730 6.031 1.00 0.00 C ATOM 455 NZ LYS A 28 -12.489 -3.847 7.251 1.00 0.00 N ATOM 0 H LYS A 28 -13.903 1.518 4.131 1.00 0.00 H new ATOM 0 HA LYS A 28 -15.548 -0.731 4.655 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -13.213 0.351 5.654 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -14.346 0.712 6.941 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -13.397 -1.393 7.494 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -15.012 -1.747 6.914 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -14.078 -2.262 4.656 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -12.465 -1.929 5.254 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -14.329 -4.122 6.242 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -12.911 -4.346 5.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -12.271 -4.848 7.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -11.604 -3.319 7.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -13.001 -3.455 8.067 1.00 0.00 H new ATOM 469 N LYS A 29 -16.358 2.147 6.089 1.00 0.00 N ATOM 470 CA LYS A 29 -17.463 2.898 6.671 1.00 0.00 C ATOM 471 C LYS A 29 -18.649 2.968 5.709 1.00 0.00 C ATOM 472 O LYS A 29 -19.807 2.916 6.128 1.00 0.00 O ATOM 473 CB LYS A 29 -16.997 4.314 7.036 1.00 0.00 C ATOM 474 CG LYS A 29 -18.114 5.243 7.493 1.00 0.00 C ATOM 475 CD LYS A 29 -17.616 6.668 7.664 1.00 0.00 C ATOM 476 CE LYS A 29 -18.749 7.615 8.027 1.00 0.00 C ATOM 477 NZ LYS A 29 -19.403 7.235 9.308 1.00 0.00 N ATOM 0 H LYS A 29 -15.495 2.681 5.985 1.00 0.00 H new ATOM 0 HA LYS A 29 -17.789 2.381 7.573 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -16.251 4.246 7.827 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -16.504 4.756 6.170 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -18.925 5.225 6.765 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -18.524 4.884 8.437 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -16.853 6.697 8.442 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -17.143 7.002 6.741 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -18.362 8.631 8.105 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -19.490 7.617 7.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -20.050 7.993 9.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -19.939 6.354 9.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -18.677 7.093 10.039 1.00 0.00 H new ATOM 491 N LEU A 30 -18.354 3.075 4.418 1.00 0.00 N ATOM 492 CA LEU A 30 -19.394 3.195 3.402 1.00 0.00 C ATOM 493 C LEU A 30 -20.188 1.898 3.265 1.00 0.00 C ATOM 494 O LEU A 30 -21.415 1.906 3.357 1.00 0.00 O ATOM 495 CB LEU A 30 -18.784 3.583 2.054 1.00 0.00 C ATOM 496 CG LEU A 30 -18.048 4.924 2.027 1.00 0.00 C ATOM 497 CD1 LEU A 30 -17.460 5.177 0.650 1.00 0.00 C ATOM 498 CD2 LEU A 30 -18.980 6.060 2.425 1.00 0.00 C ATOM 0 H LEU A 30 -17.403 3.081 4.050 1.00 0.00 H new ATOM 0 HA LEU A 30 -20.079 3.981 3.720 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -18.089 2.800 1.751 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -19.579 3.609 1.309 1.00 0.00 H new ATOM 0 HG LEU A 30 -17.234 4.882 2.751 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -16.940 6.135 0.647 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -16.757 4.381 0.403 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -18.261 5.197 -0.089 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -18.435 7.004 2.399 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -19.817 6.105 1.728 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -19.356 5.886 3.433 1.00 0.00 H new ATOM 510 N VAL A 31 -19.490 0.789 3.037 1.00 0.00 N ATOM 511 CA VAL A 31 -20.139 -0.510 2.917 1.00 0.00 C ATOM 512 C VAL A 31 -20.726 -0.983 4.257 1.00 0.00 C ATOM 513 O VAL A 31 -21.572 -1.879 4.290 1.00 0.00 O ATOM 514 CB VAL A 31 -19.159 -1.573 2.367 1.00 0.00 C ATOM 515 CG1 VAL A 31 -18.114 -1.954 3.404 1.00 0.00 C ATOM 516 CG2 VAL A 31 -19.911 -2.798 1.880 1.00 0.00 C ATOM 0 H VAL A 31 -18.476 0.765 2.932 1.00 0.00 H new ATOM 0 HA VAL A 31 -20.961 -0.388 2.212 1.00 0.00 H new ATOM 0 HB VAL A 31 -18.635 -1.134 1.518 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -17.442 -2.703 2.985 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -17.542 -1.070 3.686 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -18.608 -2.363 4.285 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -19.202 -3.532 1.498 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -20.473 -3.233 2.707 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -20.599 -2.510 1.085 1.00 0.00 H new ATOM 526 N GLY A 32 -20.286 -0.378 5.360 1.00 0.00 N ATOM 527 CA GLY A 32 -20.785 -0.757 6.667 1.00 0.00 C ATOM 528 C GLY A 32 -22.146 -0.162 6.960 1.00 0.00 C ATOM 529 O GLY A 32 -22.296 0.648 7.875 1.00 0.00 O ATOM 0 H GLY A 32 -19.591 0.369 5.368 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -20.846 -1.844 6.729 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -20.078 -0.433 7.431 1.00 0.00 H new ATOM 533 N GLU A 33 -23.130 -0.549 6.167 1.00 0.00 N ATOM 534 CA GLU A 33 -24.491 -0.080 6.342 1.00 0.00 C ATOM 535 C GLU A 33 -25.281 -1.101 7.152 1.00 0.00 C ATOM 536 O GLU A 33 -25.583 -2.185 6.610 1.00 0.00 O ATOM 537 CB GLU A 33 -25.154 0.146 4.980 1.00 0.00 C ATOM 538 CG GLU A 33 -26.481 0.886 5.055 1.00 0.00 C ATOM 539 CD GLU A 33 -26.319 2.335 5.469 1.00 0.00 C ATOM 540 OE1 GLU A 33 -26.401 2.628 6.679 1.00 0.00 O ATOM 541 OE2 GLU A 33 -26.116 3.190 4.581 1.00 0.00 O ATOM 542 OXT GLU A 33 -25.585 -0.822 8.327 1.00 0.00 O ATOM 0 H GLU A 33 -23.008 -1.195 5.387 1.00 0.00 H new ATOM 0 HA GLU A 33 -24.477 0.869 6.879 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -24.471 0.709 4.343 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -25.314 -0.820 4.500 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -26.972 0.843 4.083 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -27.135 0.380 5.765 1.00 0.00 H new TER 549 GLU A 33 ATOM 550 N GLY B 1 20.407 2.148 8.538 1.00 0.00 N ATOM 551 CA GLY B 1 20.171 0.775 8.034 1.00 0.00 C ATOM 552 C GLY B 1 20.985 0.478 6.796 1.00 0.00 C ATOM 553 O GLY B 1 21.434 1.396 6.106 1.00 0.00 O ATOM 0 H1 GLY B 1 20.934 2.103 9.433 1.00 0.00 H new ATOM 0 H2 GLY B 1 20.958 2.685 7.838 1.00 0.00 H new ATOM 0 H3 GLY B 1 19.495 2.621 8.697 1.00 0.00 H new ATOM 0 HA2 GLY B 1 20.421 0.055 8.813 1.00 0.00 H new ATOM 0 HA3 GLY B 1 19.112 0.648 7.810 1.00 0.00 H new ATOM 559 N SER B 2 21.192 -0.800 6.520 1.00 0.00 N ATOM 560 CA SER B 2 21.924 -1.219 5.338 1.00 0.00 C ATOM 561 C SER B 2 20.990 -1.302 4.135 1.00 0.00 C ATOM 562 O SER B 2 19.781 -1.093 4.274 1.00 0.00 O ATOM 563 CB SER B 2 22.584 -2.573 5.590 1.00 0.00 C ATOM 564 OG SER B 2 21.619 -3.541 5.980 1.00 0.00 O ATOM 0 H SER B 2 20.861 -1.568 7.103 1.00 0.00 H new ATOM 0 HA SER B 2 22.697 -0.482 5.123 1.00 0.00 H new ATOM 0 HB2 SER B 2 23.096 -2.907 4.687 1.00 0.00 H new ATOM 0 HB3 SER B 2 23.341 -2.474 6.368 1.00 0.00 H new ATOM 0 HG SER B 2 22.062 -4.401 6.135 1.00 0.00 H new ATOM 570 N MET B 3 21.529 -1.608 2.962 1.00 0.00 N ATOM 571 CA MET B 3 20.697 -1.743 1.776 1.00 0.00 C ATOM 572 C MET B 3 19.803 -2.973 1.914 1.00 0.00 C ATOM 573 O MET B 3 18.691 -3.002 1.393 1.00 0.00 O ATOM 574 CB MET B 3 21.551 -1.821 0.488 1.00 0.00 C ATOM 575 CG MET B 3 22.068 -3.213 0.156 1.00 0.00 C ATOM 576 SD MET B 3 23.076 -3.245 -1.342 1.00 0.00 S ATOM 577 CE MET B 3 21.917 -2.616 -2.556 1.00 0.00 C ATOM 0 H MET B 3 22.525 -1.765 2.808 1.00 0.00 H new ATOM 0 HA MET B 3 20.071 -0.855 1.691 1.00 0.00 H new ATOM 0 HB2 MET B 3 20.955 -1.459 -0.350 1.00 0.00 H new ATOM 0 HB3 MET B 3 22.401 -1.146 0.590 1.00 0.00 H new ATOM 0 HG2 MET B 3 22.658 -3.586 0.993 1.00 0.00 H new ATOM 0 HG3 MET B 3 21.223 -3.890 0.034 1.00 0.00 H new ATOM 0 HE1 MET B 3 22.292 -2.823 -3.558 1.00 0.00 H new ATOM 0 HE2 MET B 3 20.950 -3.102 -2.422 1.00 0.00 H new ATOM 0 HE3 MET B 3 21.803 -1.540 -2.427 1.00 0.00 H new ATOM 587 N LYS B 4 20.282 -3.976 2.648 1.00 0.00 N ATOM 588 CA LYS B 4 19.486 -5.166 2.924 1.00 0.00 C ATOM 589 C LYS B 4 18.252 -4.798 3.738 1.00 0.00 C ATOM 590 O LYS B 4 17.140 -5.201 3.412 1.00 0.00 O ATOM 591 CB LYS B 4 20.314 -6.211 3.675 1.00 0.00 C ATOM 592 CG LYS B 4 19.515 -7.445 4.073 1.00 0.00 C ATOM 593 CD LYS B 4 20.357 -8.429 4.866 1.00 0.00 C ATOM 594 CE LYS B 4 21.449 -9.053 4.015 1.00 0.00 C ATOM 595 NZ LYS B 4 22.306 -9.977 4.803 1.00 0.00 N ATOM 0 H LYS B 4 21.215 -3.987 3.060 1.00 0.00 H new ATOM 0 HA LYS B 4 19.170 -5.593 1.972 1.00 0.00 H new ATOM 0 HB2 LYS B 4 21.153 -6.517 3.050 1.00 0.00 H new ATOM 0 HB3 LYS B 4 20.734 -5.755 4.571 1.00 0.00 H new ATOM 0 HG2 LYS B 4 18.652 -7.144 4.667 1.00 0.00 H new ATOM 0 HG3 LYS B 4 19.131 -7.934 3.178 1.00 0.00 H new ATOM 0 HD2 LYS B 4 20.807 -7.918 5.717 1.00 0.00 H new ATOM 0 HD3 LYS B 4 19.716 -9.214 5.268 1.00 0.00 H new ATOM 0 HE2 LYS B 4 20.997 -9.596 3.185 1.00 0.00 H new ATOM 0 HE3 LYS B 4 22.066 -8.266 3.582 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 23.039 -10.382 4.186 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 22.758 -9.454 5.580 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 21.722 -10.743 5.195 1.00 0.00 H new ATOM 609 N GLN B 5 18.458 -4.010 4.788 1.00 0.00 N ATOM 610 CA GLN B 5 17.361 -3.566 5.640 1.00 0.00 C ATOM 611 C GLN B 5 16.343 -2.767 4.836 1.00 0.00 C ATOM 612 O GLN B 5 15.138 -2.865 5.070 1.00 0.00 O ATOM 613 CB GLN B 5 17.892 -2.728 6.802 1.00 0.00 C ATOM 614 CG GLN B 5 18.714 -3.529 7.799 1.00 0.00 C ATOM 615 CD GLN B 5 17.905 -4.616 8.483 1.00 0.00 C ATOM 616 OE1 GLN B 5 17.296 -4.387 9.528 1.00 0.00 O ATOM 617 NE2 GLN B 5 17.896 -5.807 7.905 1.00 0.00 N ATOM 0 H GLN B 5 19.376 -3.665 5.070 1.00 0.00 H new ATOM 0 HA GLN B 5 16.865 -4.449 6.044 1.00 0.00 H new ATOM 0 HB2 GLN B 5 18.504 -1.918 6.406 1.00 0.00 H new ATOM 0 HB3 GLN B 5 17.052 -2.268 7.322 1.00 0.00 H new ATOM 0 HG2 GLN B 5 19.562 -3.981 7.285 1.00 0.00 H new ATOM 0 HG3 GLN B 5 19.121 -2.855 8.553 1.00 0.00 H new ATOM 0 HE21 GLN B 5 18.413 -5.958 7.039 1.00 0.00 H new ATOM 0 HE22 GLN B 5 17.372 -6.574 8.326 1.00 0.00 H new ATOM 626 N LEU B 6 16.833 -1.990 3.877 1.00 0.00 N ATOM 627 CA LEU B 6 15.954 -1.219 3.007 1.00 0.00 C ATOM 628 C LEU B 6 15.211 -2.150 2.058 1.00 0.00 C ATOM 629 O LEU B 6 14.032 -1.953 1.777 1.00 0.00 O ATOM 630 CB LEU B 6 16.736 -0.160 2.215 1.00 0.00 C ATOM 631 CG LEU B 6 17.411 0.929 3.057 1.00 0.00 C ATOM 632 CD1 LEU B 6 18.177 1.888 2.162 1.00 0.00 C ATOM 633 CD2 LEU B 6 16.381 1.684 3.886 1.00 0.00 C ATOM 0 H LEU B 6 17.828 -1.878 3.683 1.00 0.00 H new ATOM 0 HA LEU B 6 15.231 -0.697 3.634 1.00 0.00 H new ATOM 0 HB2 LEU B 6 17.501 -0.665 1.625 1.00 0.00 H new ATOM 0 HB3 LEU B 6 16.055 0.319 1.512 1.00 0.00 H new ATOM 0 HG LEU B 6 18.114 0.450 3.739 1.00 0.00 H new ATOM 0 HD11 LEU B 6 18.651 2.656 2.773 1.00 0.00 H new ATOM 0 HD12 LEU B 6 18.941 1.340 1.611 1.00 0.00 H new ATOM 0 HD13 LEU B 6 17.489 2.357 1.459 1.00 0.00 H new ATOM 0 HD21 LEU B 6 16.881 2.452 4.476 1.00 0.00 H new ATOM 0 HD22 LEU B 6 15.653 2.152 3.223 1.00 0.00 H new ATOM 0 HD23 LEU B 6 15.871 0.989 4.553 1.00 0.00 H new ATOM 645 N GLU B 7 15.903 -3.182 1.590 1.00 0.00 N ATOM 646 CA GLU B 7 15.312 -4.174 0.706 1.00 0.00 C ATOM 647 C GLU B 7 14.188 -4.924 1.417 1.00 0.00 C ATOM 648 O GLU B 7 13.118 -5.147 0.844 1.00 0.00 O ATOM 649 CB GLU B 7 16.390 -5.152 0.232 1.00 0.00 C ATOM 650 CG GLU B 7 15.851 -6.355 -0.520 1.00 0.00 C ATOM 651 CD GLU B 7 16.934 -7.360 -0.840 1.00 0.00 C ATOM 652 OE1 GLU B 7 17.403 -7.384 -1.994 1.00 0.00 O ATOM 653 OE2 GLU B 7 17.319 -8.137 0.059 1.00 0.00 O ATOM 0 H GLU B 7 16.884 -3.353 1.812 1.00 0.00 H new ATOM 0 HA GLU B 7 14.887 -3.666 -0.160 1.00 0.00 H new ATOM 0 HB2 GLU B 7 17.090 -4.619 -0.411 1.00 0.00 H new ATOM 0 HB3 GLU B 7 16.954 -5.501 1.097 1.00 0.00 H new ATOM 0 HG2 GLU B 7 15.076 -6.836 0.076 1.00 0.00 H new ATOM 0 HG3 GLU B 7 15.381 -6.022 -1.446 1.00 0.00 H new ATOM 660 N ASP B 8 14.434 -5.301 2.670 1.00 0.00 N ATOM 661 CA ASP B 8 13.427 -5.978 3.486 1.00 0.00 C ATOM 662 C ASP B 8 12.211 -5.087 3.689 1.00 0.00 C ATOM 663 O ASP B 8 11.085 -5.571 3.794 1.00 0.00 O ATOM 664 CB ASP B 8 14.004 -6.391 4.842 1.00 0.00 C ATOM 665 CG ASP B 8 14.804 -7.673 4.768 1.00 0.00 C ATOM 666 OD1 ASP B 8 16.040 -7.609 4.615 1.00 0.00 O ATOM 667 OD2 ASP B 8 14.198 -8.761 4.858 1.00 0.00 O ATOM 0 H ASP B 8 15.324 -5.149 3.144 1.00 0.00 H new ATOM 0 HA ASP B 8 13.119 -6.878 2.953 1.00 0.00 H new ATOM 0 HB2 ASP B 8 14.641 -5.591 5.221 1.00 0.00 H new ATOM 0 HB3 ASP B 8 13.190 -6.516 5.556 1.00 0.00 H new ATOM 672 N LYS B 9 12.445 -3.783 3.735 1.00 0.00 N ATOM 673 CA LYS B 9 11.366 -2.808 3.833 1.00 0.00 C ATOM 674 C LYS B 9 10.552 -2.762 2.551 1.00 0.00 C ATOM 675 O LYS B 9 9.322 -2.777 2.585 1.00 0.00 O ATOM 676 CB LYS B 9 11.919 -1.414 4.083 1.00 0.00 C ATOM 677 CG LYS B 9 12.434 -1.141 5.496 1.00 0.00 C ATOM 678 CD LYS B 9 13.045 0.246 5.599 1.00 0.00 C ATOM 679 CE LYS B 9 13.546 0.534 7.006 1.00 0.00 C ATOM 680 NZ LYS B 9 12.446 0.514 8.006 1.00 0.00 N ATOM 0 H LYS B 9 13.379 -3.373 3.706 1.00 0.00 H new ATOM 0 HA LYS B 9 10.733 -3.118 4.665 1.00 0.00 H new ATOM 0 HB2 LYS B 9 12.733 -1.236 3.380 1.00 0.00 H new ATOM 0 HB3 LYS B 9 11.138 -0.689 3.856 1.00 0.00 H new ATOM 0 HG2 LYS B 9 11.615 -1.234 6.209 1.00 0.00 H new ATOM 0 HG3 LYS B 9 13.178 -1.890 5.766 1.00 0.00 H new ATOM 0 HD2 LYS B 9 13.871 0.334 4.893 1.00 0.00 H new ATOM 0 HD3 LYS B 9 12.303 0.993 5.316 1.00 0.00 H new ATOM 0 HE2 LYS B 9 14.299 -0.205 7.281 1.00 0.00 H new ATOM 0 HE3 LYS B 9 14.034 1.508 7.024 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 12.782 0.925 8.900 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 11.643 1.070 7.649 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 12.143 -0.467 8.169 1.00 0.00 H new ATOM 694 N VAL B 10 11.260 -2.713 1.427 1.00 0.00 N ATOM 695 CA VAL B 10 10.638 -2.686 0.104 1.00 0.00 C ATOM 696 C VAL B 10 9.759 -3.912 -0.021 1.00 0.00 C ATOM 697 O VAL B 10 8.728 -3.918 -0.689 1.00 0.00 O ATOM 698 CB VAL B 10 11.698 -2.701 -1.025 1.00 0.00 C ATOM 699 CG1 VAL B 10 11.039 -2.740 -2.397 1.00 0.00 C ATOM 700 CG2 VAL B 10 12.616 -1.497 -0.919 1.00 0.00 C ATOM 0 H VAL B 10 12.280 -2.691 1.405 1.00 0.00 H new ATOM 0 HA VAL B 10 10.059 -1.768 0.002 1.00 0.00 H new ATOM 0 HB VAL B 10 12.294 -3.606 -0.906 1.00 0.00 H new ATOM 0 HG11 VAL B 10 11.808 -2.750 -3.170 1.00 0.00 H new ATOM 0 HG12 VAL B 10 10.428 -3.639 -2.482 1.00 0.00 H new ATOM 0 HG13 VAL B 10 10.409 -1.860 -2.523 1.00 0.00 H new ATOM 0 HG21 VAL B 10 13.352 -1.529 -1.722 1.00 0.00 H new ATOM 0 HG22 VAL B 10 12.028 -0.583 -1.002 1.00 0.00 H new ATOM 0 HG23 VAL B 10 13.128 -1.513 0.043 1.00 0.00 H new ATOM 710 N GLU B 11 10.180 -4.930 0.701 1.00 0.00 N ATOM 711 CA GLU B 11 9.516 -6.222 0.695 1.00 0.00 C ATOM 712 C GLU B 11 8.257 -6.184 1.566 1.00 0.00 C ATOM 713 O GLU B 11 7.147 -6.407 1.071 1.00 0.00 O ATOM 714 CB GLU B 11 10.491 -7.302 1.188 1.00 0.00 C ATOM 715 CG GLU B 11 10.094 -8.733 0.844 1.00 0.00 C ATOM 716 CD GLU B 11 8.876 -9.222 1.600 1.00 0.00 C ATOM 717 OE1 GLU B 11 7.861 -9.535 0.949 1.00 0.00 O ATOM 718 OE2 GLU B 11 8.930 -9.302 2.844 1.00 0.00 O ATOM 0 H GLU B 11 10.996 -4.887 1.312 1.00 0.00 H new ATOM 0 HA GLU B 11 9.209 -6.463 -0.323 1.00 0.00 H new ATOM 0 HB2 GLU B 11 11.475 -7.102 0.765 1.00 0.00 H new ATOM 0 HB3 GLU B 11 10.586 -7.217 2.271 1.00 0.00 H new ATOM 0 HG2 GLU B 11 9.898 -8.800 -0.226 1.00 0.00 H new ATOM 0 HG3 GLU B 11 10.933 -9.395 1.056 1.00 0.00 H new ATOM 725 N GLU B 12 8.422 -5.874 2.855 1.00 0.00 N ATOM 726 CA GLU B 12 7.303 -5.943 3.796 1.00 0.00 C ATOM 727 C GLU B 12 6.215 -4.924 3.448 1.00 0.00 C ATOM 728 O GLU B 12 5.022 -5.240 3.464 1.00 0.00 O ATOM 729 CB GLU B 12 7.789 -5.751 5.239 1.00 0.00 C ATOM 730 CG GLU B 12 8.596 -4.483 5.460 1.00 0.00 C ATOM 731 CD GLU B 12 9.097 -4.349 6.882 1.00 0.00 C ATOM 732 OE1 GLU B 12 10.268 -4.704 7.149 1.00 0.00 O ATOM 733 OE2 GLU B 12 8.325 -3.877 7.744 1.00 0.00 O ATOM 0 H GLU B 12 9.307 -5.577 3.266 1.00 0.00 H new ATOM 0 HA GLU B 12 6.864 -6.937 3.713 1.00 0.00 H new ATOM 0 HB2 GLU B 12 6.925 -5.739 5.903 1.00 0.00 H new ATOM 0 HB3 GLU B 12 8.397 -6.610 5.523 1.00 0.00 H new ATOM 0 HG2 GLU B 12 9.446 -4.475 4.778 1.00 0.00 H new ATOM 0 HG3 GLU B 12 7.980 -3.618 5.213 1.00 0.00 H new ATOM 740 N LEU B 13 6.628 -3.704 3.136 1.00 0.00 N ATOM 741 CA LEU B 13 5.702 -2.653 2.727 1.00 0.00 C ATOM 742 C LEU B 13 4.933 -3.039 1.463 1.00 0.00 C ATOM 743 O LEU B 13 3.736 -2.785 1.370 1.00 0.00 O ATOM 744 CB LEU B 13 6.447 -1.337 2.497 1.00 0.00 C ATOM 745 CG LEU B 13 7.114 -0.737 3.737 1.00 0.00 C ATOM 746 CD1 LEU B 13 7.869 0.529 3.371 1.00 0.00 C ATOM 747 CD2 LEU B 13 6.077 -0.444 4.812 1.00 0.00 C ATOM 0 H LEU B 13 7.606 -3.414 3.158 1.00 0.00 H new ATOM 0 HA LEU B 13 4.983 -2.523 3.536 1.00 0.00 H new ATOM 0 HB2 LEU B 13 7.211 -1.499 1.737 1.00 0.00 H new ATOM 0 HB3 LEU B 13 5.745 -0.607 2.093 1.00 0.00 H new ATOM 0 HG LEU B 13 7.824 -1.463 4.132 1.00 0.00 H new ATOM 0 HD11 LEU B 13 8.338 0.944 4.263 1.00 0.00 H new ATOM 0 HD12 LEU B 13 8.637 0.295 2.633 1.00 0.00 H new ATOM 0 HD13 LEU B 13 7.175 1.258 2.953 1.00 0.00 H new ATOM 0 HD21 LEU B 13 6.569 -0.018 5.686 1.00 0.00 H new ATOM 0 HD22 LEU B 13 5.344 0.265 4.427 1.00 0.00 H new ATOM 0 HD23 LEU B 13 5.574 -1.369 5.094 1.00 0.00 H new ATOM 759 N LEU B 14 5.620 -3.643 0.495 1.00 0.00 N ATOM 760 CA LEU B 14 4.995 -4.072 -0.749 1.00 0.00 C ATOM 761 C LEU B 14 3.946 -5.151 -0.490 1.00 0.00 C ATOM 762 O LEU B 14 2.879 -5.140 -1.104 1.00 0.00 O ATOM 763 CB LEU B 14 6.054 -4.578 -1.737 1.00 0.00 C ATOM 764 CG LEU B 14 5.544 -4.935 -3.135 1.00 0.00 C ATOM 765 CD1 LEU B 14 5.050 -3.693 -3.864 1.00 0.00 C ATOM 766 CD2 LEU B 14 6.639 -5.625 -3.933 1.00 0.00 C ATOM 0 H LEU B 14 6.618 -3.846 0.552 1.00 0.00 H new ATOM 0 HA LEU B 14 4.493 -3.211 -1.190 1.00 0.00 H new ATOM 0 HB2 LEU B 14 6.825 -3.814 -1.836 1.00 0.00 H new ATOM 0 HB3 LEU B 14 6.531 -5.459 -1.309 1.00 0.00 H new ATOM 0 HG LEU B 14 4.704 -5.621 -3.031 1.00 0.00 H new ATOM 0 HD11 LEU B 14 4.692 -3.971 -4.855 1.00 0.00 H new ATOM 0 HD12 LEU B 14 4.236 -3.239 -3.299 1.00 0.00 H new ATOM 0 HD13 LEU B 14 5.867 -2.978 -3.960 1.00 0.00 H new ATOM 0 HD21 LEU B 14 6.264 -5.874 -4.926 1.00 0.00 H new ATOM 0 HD22 LEU B 14 7.497 -4.959 -4.026 1.00 0.00 H new ATOM 0 HD23 LEU B 14 6.943 -6.538 -3.420 1.00 0.00 H new ATOM 778 N SER B 15 4.242 -6.079 0.423 1.00 0.00 N ATOM 779 CA SER B 15 3.268 -7.090 0.814 1.00 0.00 C ATOM 780 C SER B 15 1.996 -6.425 1.346 1.00 0.00 C ATOM 781 O SER B 15 0.883 -6.769 0.939 1.00 0.00 O ATOM 782 CB SER B 15 3.859 -8.021 1.877 1.00 0.00 C ATOM 783 OG SER B 15 2.908 -8.984 2.295 1.00 0.00 O ATOM 0 H SER B 15 5.141 -6.148 0.899 1.00 0.00 H new ATOM 0 HA SER B 15 3.014 -7.682 -0.065 1.00 0.00 H new ATOM 0 HB2 SER B 15 4.739 -8.524 1.476 1.00 0.00 H new ATOM 0 HB3 SER B 15 4.190 -7.435 2.735 1.00 0.00 H new ATOM 0 HG SER B 15 3.309 -9.567 2.972 1.00 0.00 H new ATOM 789 N LYS B 16 2.173 -5.460 2.241 1.00 0.00 N ATOM 790 CA LYS B 16 1.051 -4.727 2.818 1.00 0.00 C ATOM 791 C LYS B 16 0.372 -3.862 1.757 1.00 0.00 C ATOM 792 O LYS B 16 -0.850 -3.749 1.725 1.00 0.00 O ATOM 793 CB LYS B 16 1.543 -3.863 3.985 1.00 0.00 C ATOM 794 CG LYS B 16 0.456 -3.040 4.662 1.00 0.00 C ATOM 795 CD LYS B 16 1.040 -2.174 5.770 1.00 0.00 C ATOM 796 CE LYS B 16 0.020 -1.191 6.326 1.00 0.00 C ATOM 797 NZ LYS B 16 -1.107 -1.865 7.023 1.00 0.00 N ATOM 0 H LYS B 16 3.087 -5.166 2.584 1.00 0.00 H new ATOM 0 HA LYS B 16 0.317 -5.441 3.192 1.00 0.00 H new ATOM 0 HB2 LYS B 16 2.008 -4.510 4.729 1.00 0.00 H new ATOM 0 HB3 LYS B 16 2.318 -3.189 3.620 1.00 0.00 H new ATOM 0 HG2 LYS B 16 -0.040 -2.409 3.925 1.00 0.00 H new ATOM 0 HG3 LYS B 16 -0.303 -3.703 5.076 1.00 0.00 H new ATOM 0 HD2 LYS B 16 1.404 -2.813 6.575 1.00 0.00 H new ATOM 0 HD3 LYS B 16 1.900 -1.625 5.386 1.00 0.00 H new ATOM 0 HE2 LYS B 16 0.516 -0.512 7.019 1.00 0.00 H new ATOM 0 HE3 LYS B 16 -0.374 -0.583 5.512 1.00 0.00 H new ATOM 0 HZ1 LYS B 16 -1.821 -1.158 7.292 1.00 0.00 H new ATOM 0 HZ2 LYS B 16 -1.537 -2.568 6.388 1.00 0.00 H new ATOM 0 HZ3 LYS B 16 -0.752 -2.341 7.877 1.00 0.00 H new ATOM 811 N ASN B 17 1.184 -3.259 0.893 1.00 0.00 N ATOM 812 CA ASN B 17 0.692 -2.441 -0.214 1.00 0.00 C ATOM 813 C ASN B 17 -0.263 -3.237 -1.097 1.00 0.00 C ATOM 814 O ASN B 17 -1.401 -2.826 -1.322 1.00 0.00 O ATOM 815 CB ASN B 17 1.876 -1.939 -1.045 1.00 0.00 C ATOM 816 CG ASN B 17 1.465 -1.025 -2.188 1.00 0.00 C ATOM 817 OD1 ASN B 17 1.509 0.284 -1.970 1.00 0.00 O flip ATOM 818 ND2 ASN B 17 1.133 -1.490 -3.275 1.00 0.00 N flip ATOM 0 H ASN B 17 2.201 -3.323 0.940 1.00 0.00 H new ATOM 0 HA ASN B 17 0.147 -1.591 0.197 1.00 0.00 H new ATOM 0 HB2 ASN B 17 2.568 -1.405 -0.393 1.00 0.00 H new ATOM 0 HB3 ASN B 17 2.416 -2.795 -1.450 1.00 0.00 H new ATOM 0 HD21 ASN B 17 1.109 -2.501 -3.412 1.00 0.00 H new ATOM 0 HD22 ASN B 17 0.881 -0.866 -4.041 1.00 0.00 H new ATOM 825 N TYR B 18 0.198 -4.390 -1.572 1.00 0.00 N ATOM 826 CA TYR B 18 -0.624 -5.242 -2.426 1.00 0.00 C ATOM 827 C TYR B 18 -1.859 -5.713 -1.675 1.00 0.00 C ATOM 828 O TYR B 18 -2.943 -5.822 -2.251 1.00 0.00 O ATOM 829 CB TYR B 18 0.162 -6.457 -2.939 1.00 0.00 C ATOM 830 CG TYR B 18 1.119 -6.151 -4.075 1.00 0.00 C ATOM 831 CD1 TYR B 18 0.760 -5.281 -5.101 1.00 0.00 C ATOM 832 CD2 TYR B 18 2.377 -6.745 -4.132 1.00 0.00 C ATOM 833 CE1 TYR B 18 1.626 -5.008 -6.139 1.00 0.00 C ATOM 834 CE2 TYR B 18 3.246 -6.474 -5.171 1.00 0.00 C ATOM 835 CZ TYR B 18 2.865 -5.605 -6.171 1.00 0.00 C ATOM 836 OH TYR B 18 3.728 -5.325 -7.207 1.00 0.00 O ATOM 0 H TYR B 18 1.131 -4.755 -1.382 1.00 0.00 H new ATOM 0 HA TYR B 18 -0.927 -4.645 -3.286 1.00 0.00 H new ATOM 0 HB2 TYR B 18 0.726 -6.885 -2.111 1.00 0.00 H new ATOM 0 HB3 TYR B 18 -0.545 -7.218 -3.271 1.00 0.00 H new ATOM 0 HD1 TYR B 18 -0.213 -4.812 -5.084 1.00 0.00 H new ATOM 0 HD2 TYR B 18 2.678 -7.428 -3.352 1.00 0.00 H new ATOM 0 HE1 TYR B 18 1.332 -4.327 -6.925 1.00 0.00 H new ATOM 0 HE2 TYR B 18 4.219 -6.941 -5.200 1.00 0.00 H new ATOM 0 HH TYR B 18 4.562 -5.825 -7.083 1.00 0.00 H new ATOM 846 N HIS B 19 -1.685 -5.976 -0.385 1.00 0.00 N ATOM 847 CA HIS B 19 -2.774 -6.430 0.465 1.00 0.00 C ATOM 848 C HIS B 19 -3.877 -5.382 0.520 1.00 0.00 C ATOM 849 O HIS B 19 -5.039 -5.686 0.270 1.00 0.00 O ATOM 850 CB HIS B 19 -2.257 -6.711 1.877 1.00 0.00 C ATOM 851 CG HIS B 19 -3.142 -7.608 2.688 1.00 0.00 C ATOM 852 ND1 HIS B 19 -4.445 -7.303 3.023 1.00 0.00 N ATOM 853 CD2 HIS B 19 -2.889 -8.815 3.246 1.00 0.00 C ATOM 854 CE1 HIS B 19 -4.948 -8.280 3.751 1.00 0.00 C ATOM 855 NE2 HIS B 19 -4.027 -9.209 3.899 1.00 0.00 N ATOM 0 H HIS B 19 -0.791 -5.881 0.096 1.00 0.00 H new ATOM 0 HA HIS B 19 -3.182 -7.349 0.044 1.00 0.00 H new ATOM 0 HB2 HIS B 19 -1.268 -7.163 1.806 1.00 0.00 H new ATOM 0 HB3 HIS B 19 -2.138 -5.764 2.403 1.00 0.00 H new ATOM 0 HD1 HIS B 19 -4.941 -6.455 2.750 1.00 0.00 H new ATOM 0 HD2 HIS B 19 -1.962 -9.365 3.187 1.00 0.00 H new ATOM 0 HE1 HIS B 19 -5.948 -8.313 4.158 1.00 0.00 H new ATOM 864 N LEU B 20 -3.500 -4.142 0.826 1.00 0.00 N ATOM 865 CA LEU B 20 -4.465 -3.056 0.964 1.00 0.00 C ATOM 866 C LEU B 20 -5.219 -2.825 -0.335 1.00 0.00 C ATOM 867 O LEU B 20 -6.427 -2.583 -0.322 1.00 0.00 O ATOM 868 CB LEU B 20 -3.777 -1.760 1.403 1.00 0.00 C ATOM 869 CG LEU B 20 -3.065 -1.830 2.756 1.00 0.00 C ATOM 870 CD1 LEU B 20 -2.344 -0.529 3.047 1.00 0.00 C ATOM 871 CD2 LEU B 20 -4.056 -2.146 3.864 1.00 0.00 C ATOM 0 H LEU B 20 -2.531 -3.865 0.983 1.00 0.00 H new ATOM 0 HA LEU B 20 -5.178 -3.351 1.734 1.00 0.00 H new ATOM 0 HB2 LEU B 20 -3.050 -1.477 0.642 1.00 0.00 H new ATOM 0 HB3 LEU B 20 -4.523 -0.966 1.443 1.00 0.00 H new ATOM 0 HG LEU B 20 -2.327 -2.631 2.713 1.00 0.00 H new ATOM 0 HD11 LEU B 20 -1.844 -0.598 4.013 1.00 0.00 H new ATOM 0 HD12 LEU B 20 -1.605 -0.341 2.268 1.00 0.00 H new ATOM 0 HD13 LEU B 20 -3.064 0.289 3.069 1.00 0.00 H new ATOM 0 HD21 LEU B 20 -3.532 -2.192 4.819 1.00 0.00 H new ATOM 0 HD22 LEU B 20 -4.817 -1.367 3.905 1.00 0.00 H new ATOM 0 HD23 LEU B 20 -4.531 -3.107 3.664 1.00 0.00 H new ATOM 883 N GLU B 21 -4.516 -2.927 -1.459 1.00 0.00 N ATOM 884 CA GLU B 21 -5.132 -2.678 -2.755 1.00 0.00 C ATOM 885 C GLU B 21 -6.195 -3.736 -3.053 1.00 0.00 C ATOM 886 O GLU B 21 -7.108 -3.509 -3.850 1.00 0.00 O ATOM 887 CB GLU B 21 -4.082 -2.661 -3.876 1.00 0.00 C ATOM 888 CG GLU B 21 -4.420 -1.707 -5.017 1.00 0.00 C ATOM 889 CD GLU B 21 -3.468 -1.816 -6.189 1.00 0.00 C ATOM 890 OE1 GLU B 21 -3.493 -2.845 -6.893 1.00 0.00 O ATOM 891 OE2 GLU B 21 -2.714 -0.855 -6.432 1.00 0.00 O ATOM 0 H GLU B 21 -3.528 -3.178 -1.498 1.00 0.00 H new ATOM 0 HA GLU B 21 -5.606 -1.697 -2.715 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -3.117 -2.381 -3.454 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -3.974 -3.669 -4.277 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -5.434 -1.908 -5.362 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -4.408 -0.684 -4.642 1.00 0.00 H new ATOM 898 N ASN B 22 -6.071 -4.892 -2.406 1.00 0.00 N ATOM 899 CA ASN B 22 -7.063 -5.954 -2.535 1.00 0.00 C ATOM 900 C ASN B 22 -8.362 -5.538 -1.864 1.00 0.00 C ATOM 901 O ASN B 22 -9.430 -5.584 -2.478 1.00 0.00 O ATOM 902 CB ASN B 22 -6.561 -7.262 -1.914 1.00 0.00 C ATOM 903 CG ASN B 22 -5.343 -7.822 -2.618 1.00 0.00 C ATOM 904 OD1 ASN B 22 -5.166 -7.636 -3.820 1.00 0.00 O ATOM 905 ND2 ASN B 22 -4.494 -8.520 -1.877 1.00 0.00 N ATOM 0 H ASN B 22 -5.292 -5.117 -1.787 1.00 0.00 H new ATOM 0 HA ASN B 22 -7.237 -6.122 -3.598 1.00 0.00 H new ATOM 0 HB2 ASN B 22 -6.321 -7.091 -0.865 1.00 0.00 H new ATOM 0 HB3 ASN B 22 -7.361 -8.001 -1.941 1.00 0.00 H new ATOM 0 HD21 ASN B 22 -3.659 -8.924 -2.302 1.00 0.00 H new ATOM 0 HD22 ASN B 22 -4.675 -8.653 -0.882 1.00 0.00 H new ATOM 912 N GLU B 23 -8.264 -5.114 -0.602 1.00 0.00 N ATOM 913 CA GLU B 23 -9.435 -4.665 0.144 1.00 0.00 C ATOM 914 C GLU B 23 -10.109 -3.499 -0.566 1.00 0.00 C ATOM 915 O GLU B 23 -11.334 -3.457 -0.653 1.00 0.00 O ATOM 916 CB GLU B 23 -9.082 -4.253 1.580 1.00 0.00 C ATOM 917 CG GLU B 23 -8.827 -5.417 2.527 1.00 0.00 C ATOM 918 CD GLU B 23 -7.511 -6.120 2.279 1.00 0.00 C ATOM 919 OE1 GLU B 23 -7.520 -7.214 1.675 1.00 0.00 O ATOM 920 OE2 GLU B 23 -6.465 -5.594 2.711 1.00 0.00 O ATOM 0 H GLU B 23 -7.389 -5.073 -0.080 1.00 0.00 H new ATOM 0 HA GLU B 23 -10.121 -5.510 0.193 1.00 0.00 H new ATOM 0 HB2 GLU B 23 -8.195 -3.620 1.555 1.00 0.00 H new ATOM 0 HB3 GLU B 23 -9.894 -3.647 1.981 1.00 0.00 H new ATOM 0 HG2 GLU B 23 -8.846 -5.051 3.553 1.00 0.00 H new ATOM 0 HG3 GLU B 23 -9.639 -6.138 2.430 1.00 0.00 H new ATOM 927 N VAL B 24 -9.305 -2.567 -1.081 1.00 0.00 N ATOM 928 CA VAL B 24 -9.836 -1.418 -1.808 1.00 0.00 C ATOM 929 C VAL B 24 -10.771 -1.877 -2.928 1.00 0.00 C ATOM 930 O VAL B 24 -11.920 -1.445 -3.015 1.00 0.00 O ATOM 931 CB VAL B 24 -8.715 -0.551 -2.428 1.00 0.00 C ATOM 932 CG1 VAL B 24 -9.305 0.603 -3.225 1.00 0.00 C ATOM 933 CG2 VAL B 24 -7.781 -0.021 -1.353 1.00 0.00 C ATOM 0 H VAL B 24 -8.288 -2.587 -1.007 1.00 0.00 H new ATOM 0 HA VAL B 24 -10.382 -0.816 -1.082 1.00 0.00 H new ATOM 0 HB VAL B 24 -8.139 -1.183 -3.104 1.00 0.00 H new ATOM 0 HG11 VAL B 24 -8.499 1.200 -3.652 1.00 0.00 H new ATOM 0 HG12 VAL B 24 -9.930 0.210 -4.027 1.00 0.00 H new ATOM 0 HG13 VAL B 24 -9.910 1.228 -2.568 1.00 0.00 H new ATOM 0 HG21 VAL B 24 -7.002 0.585 -1.815 1.00 0.00 H new ATOM 0 HG22 VAL B 24 -8.346 0.589 -0.649 1.00 0.00 H new ATOM 0 HG23 VAL B 24 -7.324 -0.857 -0.823 1.00 0.00 H new ATOM 943 N ALA B 25 -10.265 -2.771 -3.774 1.00 0.00 N ATOM 944 CA ALA B 25 -11.027 -3.295 -4.904 1.00 0.00 C ATOM 945 C ALA B 25 -12.290 -4.032 -4.454 1.00 0.00 C ATOM 946 O ALA B 25 -13.368 -3.825 -5.012 1.00 0.00 O ATOM 947 CB ALA B 25 -10.153 -4.212 -5.745 1.00 0.00 C ATOM 0 H ALA B 25 -9.321 -3.150 -3.696 1.00 0.00 H new ATOM 0 HA ALA B 25 -11.345 -2.445 -5.507 1.00 0.00 H new ATOM 0 HB1 ALA B 25 -10.732 -4.597 -6.585 1.00 0.00 H new ATOM 0 HB2 ALA B 25 -9.296 -3.654 -6.121 1.00 0.00 H new ATOM 0 HB3 ALA B 25 -9.804 -5.044 -5.133 1.00 0.00 H new ATOM 953 N ARG B 26 -12.155 -4.890 -3.444 1.00 0.00 N ATOM 954 CA ARG B 26 -13.289 -5.661 -2.938 1.00 0.00 C ATOM 955 C ARG B 26 -14.376 -4.731 -2.421 1.00 0.00 C ATOM 956 O ARG B 26 -15.538 -4.832 -2.817 1.00 0.00 O ATOM 957 CB ARG B 26 -12.854 -6.598 -1.808 1.00 0.00 C ATOM 958 CG ARG B 26 -11.777 -7.597 -2.196 1.00 0.00 C ATOM 959 CD ARG B 26 -12.215 -8.498 -3.341 1.00 0.00 C ATOM 960 NE ARG B 26 -11.948 -7.903 -4.652 1.00 0.00 N ATOM 961 CZ ARG B 26 -12.752 -8.022 -5.706 1.00 0.00 C ATOM 962 NH1 ARG B 26 -13.900 -8.680 -5.603 1.00 0.00 N ATOM 963 NH2 ARG B 26 -12.407 -7.483 -6.870 1.00 0.00 N ATOM 0 H ARG B 26 -11.274 -5.068 -2.961 1.00 0.00 H new ATOM 0 HA ARG B 26 -13.679 -6.256 -3.764 1.00 0.00 H new ATOM 0 HB2 ARG B 26 -12.491 -5.997 -0.974 1.00 0.00 H new ATOM 0 HB3 ARG B 26 -13.727 -7.145 -1.450 1.00 0.00 H new ATOM 0 HG2 ARG B 26 -10.873 -7.061 -2.483 1.00 0.00 H new ATOM 0 HG3 ARG B 26 -11.523 -8.209 -1.331 1.00 0.00 H new ATOM 0 HD2 ARG B 26 -11.697 -9.454 -3.266 1.00 0.00 H new ATOM 0 HD3 ARG B 26 -13.281 -8.705 -3.249 1.00 0.00 H new ATOM 0 HE ARG B 26 -11.090 -7.362 -4.765 1.00 0.00 H new ATOM 0 HH11 ARG B 26 -14.170 -9.098 -4.713 1.00 0.00 H new ATOM 0 HH12 ARG B 26 -14.512 -8.768 -6.414 1.00 0.00 H new ATOM 0 HH21 ARG B 26 -11.525 -6.977 -6.957 1.00 0.00 H new ATOM 0 HH22 ARG B 26 -13.024 -7.575 -7.677 1.00 0.00 H new ATOM 977 N LEU B 27 -13.978 -3.824 -1.541 1.00 0.00 N ATOM 978 CA LEU B 27 -14.902 -2.865 -0.944 1.00 0.00 C ATOM 979 C LEU B 27 -15.542 -1.968 -2.002 1.00 0.00 C ATOM 980 O LEU B 27 -16.666 -1.500 -1.823 1.00 0.00 O ATOM 981 CB LEU B 27 -14.176 -2.012 0.099 1.00 0.00 C ATOM 982 CG LEU B 27 -13.621 -2.785 1.293 1.00 0.00 C ATOM 983 CD1 LEU B 27 -12.762 -1.881 2.155 1.00 0.00 C ATOM 984 CD2 LEU B 27 -14.747 -3.391 2.113 1.00 0.00 C ATOM 0 H LEU B 27 -13.014 -3.730 -1.221 1.00 0.00 H new ATOM 0 HA LEU B 27 -15.698 -3.429 -0.458 1.00 0.00 H new ATOM 0 HB2 LEU B 27 -13.354 -1.489 -0.390 1.00 0.00 H new ATOM 0 HB3 LEU B 27 -14.864 -1.251 0.466 1.00 0.00 H new ATOM 0 HG LEU B 27 -13.000 -3.597 0.916 1.00 0.00 H new ATOM 0 HD11 LEU B 27 -12.374 -2.447 3.002 1.00 0.00 H new ATOM 0 HD12 LEU B 27 -11.931 -1.497 1.564 1.00 0.00 H new ATOM 0 HD13 LEU B 27 -13.363 -1.048 2.520 1.00 0.00 H new ATOM 0 HD21 LEU B 27 -14.328 -3.937 2.958 1.00 0.00 H new ATOM 0 HD22 LEU B 27 -15.398 -2.597 2.480 1.00 0.00 H new ATOM 0 HD23 LEU B 27 -15.324 -4.074 1.490 1.00 0.00 H new ATOM 996 N LYS B 28 -14.835 -1.755 -3.107 1.00 0.00 N ATOM 997 CA LYS B 28 -15.322 -0.899 -4.177 1.00 0.00 C ATOM 998 C LYS B 28 -16.536 -1.541 -4.835 1.00 0.00 C ATOM 999 O LYS B 28 -17.579 -0.906 -4.989 1.00 0.00 O ATOM 1000 CB LYS B 28 -14.227 -0.674 -5.222 1.00 0.00 C ATOM 1001 CG LYS B 28 -14.128 0.761 -5.720 1.00 0.00 C ATOM 1002 CD LYS B 28 -13.546 1.675 -4.653 1.00 0.00 C ATOM 1003 CE LYS B 28 -13.460 3.119 -5.123 1.00 0.00 C ATOM 1004 NZ LYS B 28 -12.626 3.264 -6.346 1.00 0.00 N ATOM 0 H LYS B 28 -13.919 -2.167 -3.283 1.00 0.00 H new ATOM 0 HA LYS B 28 -15.605 0.065 -3.754 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -13.267 -0.966 -4.796 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -14.411 -1.330 -6.072 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -13.504 0.797 -6.613 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -15.117 1.118 -6.008 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -14.162 1.622 -3.755 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -12.551 1.324 -4.378 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -14.464 3.494 -5.323 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -13.043 3.734 -4.326 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -12.441 4.272 -6.523 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -11.723 2.765 -6.212 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -13.129 2.856 -7.160 1.00 0.00 H new ATOM 1018 N LYS B 29 -16.391 -2.808 -5.217 1.00 0.00 N ATOM 1019 CA LYS B 29 -17.491 -3.566 -5.795 1.00 0.00 C ATOM 1020 C LYS B 29 -18.662 -3.665 -4.817 1.00 0.00 C ATOM 1021 O LYS B 29 -19.827 -3.614 -5.216 1.00 0.00 O ATOM 1022 CB LYS B 29 -17.008 -4.970 -6.187 1.00 0.00 C ATOM 1023 CG LYS B 29 -18.117 -5.908 -6.642 1.00 0.00 C ATOM 1024 CD LYS B 29 -17.601 -7.321 -6.842 1.00 0.00 C ATOM 1025 CE LYS B 29 -18.726 -8.279 -7.198 1.00 0.00 C ATOM 1026 NZ LYS B 29 -19.403 -7.904 -8.468 1.00 0.00 N ATOM 0 H LYS B 29 -15.518 -3.330 -5.135 1.00 0.00 H new ATOM 0 HA LYS B 29 -17.838 -3.043 -6.686 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -16.274 -4.879 -6.987 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -16.497 -5.417 -5.335 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -18.918 -5.913 -5.902 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -18.546 -5.541 -7.574 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -16.852 -7.327 -7.634 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -17.106 -7.661 -5.932 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -18.326 -9.289 -7.286 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -19.457 -8.295 -6.390 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -20.056 -8.662 -8.750 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -19.936 -7.022 -8.330 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -18.691 -7.765 -9.213 1.00 0.00 H new ATOM 1040 N LEU B 30 -18.347 -3.794 -3.533 1.00 0.00 N ATOM 1041 CA LEU B 30 -19.370 -3.942 -2.505 1.00 0.00 C ATOM 1042 C LEU B 30 -20.183 -2.658 -2.340 1.00 0.00 C ATOM 1043 O LEU B 30 -21.410 -2.684 -2.418 1.00 0.00 O ATOM 1044 CB LEU B 30 -18.736 -4.337 -1.169 1.00 0.00 C ATOM 1045 CG LEU B 30 -17.980 -5.668 -1.172 1.00 0.00 C ATOM 1046 CD1 LEU B 30 -17.372 -5.932 0.193 1.00 0.00 C ATOM 1047 CD2 LEU B 30 -18.900 -6.813 -1.575 1.00 0.00 C ATOM 0 H LEU B 30 -17.390 -3.799 -3.179 1.00 0.00 H new ATOM 0 HA LEU B 30 -20.047 -4.734 -2.824 1.00 0.00 H new ATOM 0 HB2 LEU B 30 -18.048 -3.548 -0.865 1.00 0.00 H new ATOM 0 HB3 LEU B 30 -19.520 -4.385 -0.414 1.00 0.00 H new ATOM 0 HG LEU B 30 -17.177 -5.603 -1.906 1.00 0.00 H new ATOM 0 HD11 LEU B 30 -16.838 -6.882 0.176 1.00 0.00 H new ATOM 0 HD12 LEU B 30 -16.678 -5.130 0.444 1.00 0.00 H new ATOM 0 HD13 LEU B 30 -18.163 -5.974 0.942 1.00 0.00 H new ATOM 0 HD21 LEU B 30 -18.340 -7.748 -1.570 1.00 0.00 H new ATOM 0 HD22 LEU B 30 -19.727 -6.881 -0.868 1.00 0.00 H new ATOM 0 HD23 LEU B 30 -19.292 -6.630 -2.576 1.00 0.00 H new ATOM 1059 N VAL B 31 -19.501 -1.541 -2.105 1.00 0.00 N ATOM 1060 CA VAL B 31 -20.171 -0.254 -1.958 1.00 0.00 C ATOM 1061 C VAL B 31 -20.785 0.228 -3.284 1.00 0.00 C ATOM 1062 O VAL B 31 -21.652 1.106 -3.293 1.00 0.00 O ATOM 1063 CB VAL B 31 -19.200 0.815 -1.406 1.00 0.00 C ATOM 1064 CG1 VAL B 31 -18.173 1.225 -2.450 1.00 0.00 C ATOM 1065 CG2 VAL B 31 -19.963 2.023 -0.895 1.00 0.00 C ATOM 0 H VAL B 31 -18.486 -1.501 -2.012 1.00 0.00 H new ATOM 0 HA VAL B 31 -20.982 -0.398 -1.244 1.00 0.00 H new ATOM 0 HB VAL B 31 -18.660 0.372 -0.569 1.00 0.00 H new ATOM 0 HG11 VAL B 31 -17.506 1.978 -2.029 1.00 0.00 H new ATOM 0 HG12 VAL B 31 -17.592 0.353 -2.751 1.00 0.00 H new ATOM 0 HG13 VAL B 31 -18.683 1.639 -3.320 1.00 0.00 H new ATOM 0 HG21 VAL B 31 -19.260 2.762 -0.511 1.00 0.00 H new ATOM 0 HG22 VAL B 31 -20.540 2.460 -1.710 1.00 0.00 H new ATOM 0 HG23 VAL B 31 -20.638 1.716 -0.096 1.00 0.00 H new ATOM 1075 N GLY B 32 -20.349 -0.354 -4.402 1.00 0.00 N ATOM 1076 CA GLY B 32 -20.870 0.033 -5.698 1.00 0.00 C ATOM 1077 C GLY B 32 -22.226 -0.579 -5.981 1.00 0.00 C ATOM 1078 O GLY B 32 -22.379 -1.372 -6.913 1.00 0.00 O ATOM 0 H GLY B 32 -19.642 -1.089 -4.429 1.00 0.00 H new ATOM 0 HA2 GLY B 32 -20.947 1.119 -5.746 1.00 0.00 H new ATOM 0 HA3 GLY B 32 -20.168 -0.271 -6.474 1.00 0.00 H new ATOM 1082 N GLU B 33 -23.203 -0.223 -5.164 1.00 0.00 N ATOM 1083 CA GLU B 33 -24.562 -0.705 -5.329 1.00 0.00 C ATOM 1084 C GLU B 33 -25.375 0.322 -6.110 1.00 0.00 C ATOM 1085 O GLU B 33 -25.669 1.400 -5.548 1.00 0.00 O ATOM 1086 CB GLU B 33 -25.205 -0.962 -3.961 1.00 0.00 C ATOM 1087 CG GLU B 33 -26.518 -1.726 -4.033 1.00 0.00 C ATOM 1088 CD GLU B 33 -26.333 -3.164 -4.479 1.00 0.00 C ATOM 1089 OE1 GLU B 33 -26.390 -3.432 -5.698 1.00 0.00 O ATOM 1090 OE2 GLU B 33 -26.126 -4.037 -3.611 1.00 0.00 O ATOM 1091 OXT GLU B 33 -25.706 0.055 -7.282 1.00 0.00 O ATOM 0 H GLU B 33 -23.076 0.406 -4.371 1.00 0.00 H new ATOM 0 HA GLU B 33 -24.544 -1.644 -5.882 1.00 0.00 H new ATOM 0 HB2 GLU B 33 -24.504 -1.520 -3.340 1.00 0.00 H new ATOM 0 HB3 GLU B 33 -25.378 -0.006 -3.466 1.00 0.00 H new ATOM 0 HG2 GLU B 33 -26.996 -1.712 -3.054 1.00 0.00 H new ATOM 0 HG3 GLU B 33 -27.192 -1.219 -4.724 1.00 0.00 H new TER 1098 GLU B 33