USER MOD reduce.3.24.130724 H: found=0, std=0, add=620, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 614 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 61 CYS SG : rot -169:sc= -0.915! USER MOD Set 1.2: A 63 HIS :FLIP no HE2:sc= -0.0579 F(o=-0.97,f=-0.0069) USER MOD Set 1.3: A 85 CYS SG : rot -80:sc= 1.45 USER MOD Set 1.4: A 87 SER OG : rot -119:sc= 0.563! USER MOD Set 1.5: A 88 CYS SG : rot -61:sc= -0.201! USER MOD Set 1.6: A 90 THR OG1 : rot 101:sc= 0.312 USER MOD Set 1.7: A 92 TYR OH : rot -26:sc= -1.16 USER MOD Set 2.1: A 28 CYS SG : rot 120:sc= 0.254 USER MOD Set 2.2: A 31 CYS SG : rot -59:sc= 0.111 USER MOD Set 2.3: A 39 SER OG : rot 97:sc= 1.17 USER MOD Set 2.4: A 66 HIS : no HE2:sc= -3.75! C(o=-2!,f=-11!) USER MOD Set 2.5: A 69 CYS SG : rot -77:sc= 0.261 USER MOD Single : A 11 GLN : amide:sc= -2.64 K(o=-2.6,f=-5.4!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot -51:sc= -1.17 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 MET CE :methyl -162:sc= -0.167 (180deg=-0.743) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot -6:sc= 0.00441 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 MET CE :methyl 149:sc=-0.00526 (180deg=-0.0952) USER MOD Single : A 45 THR OG1 : rot -120:sc= -0.231 USER MOD Single : A 47 SER OG : rot -170:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ -126:sc= 0.184 (180deg=-4.44!) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 73 MET CE :methyl -134:sc= -0.123 (180deg=-0.552) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 CYS SG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= 0.0837 K(o=0.084,f=-0.94) USER MOD Single : A 89 LYS NZ :NH3+ 161:sc= -0.0325 (180deg=-0.326) USER MOD ----------------------------------------------------------------- ATOM 66 N GLU A 8 -3.273 8.311 -0.697 1.00 0.00 N ATOM 67 CA GLU A 8 -2.354 7.742 -1.676 1.00 0.00 C ATOM 68 C GLU A 8 -2.622 6.253 -1.873 1.00 0.00 C ATOM 69 O GLU A 8 -3.249 5.594 -1.043 1.00 0.00 O ATOM 70 CB GLU A 8 -0.905 7.956 -1.232 1.00 0.00 C ATOM 71 CG GLU A 8 -0.310 9.270 -1.709 1.00 0.00 C ATOM 72 CD GLU A 8 1.084 9.512 -1.163 1.00 0.00 C ATOM 73 OE1 GLU A 8 1.950 8.629 -1.335 1.00 0.00 O ATOM 74 OE2 GLU A 8 1.308 10.584 -0.563 1.00 0.00 O ATOM 0 HA GLU A 8 -2.515 8.251 -2.626 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -0.858 7.920 -0.144 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -0.294 7.134 -1.605 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -0.275 9.274 -2.798 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -0.962 10.090 -1.408 1.00 0.00 H new ATOM 81 N PRO A 9 -2.137 5.708 -2.999 1.00 0.00 N ATOM 82 CA PRO A 9 -2.312 4.292 -3.333 1.00 0.00 C ATOM 83 C PRO A 9 -1.498 3.377 -2.424 1.00 0.00 C ATOM 84 O PRO A 9 -1.923 2.268 -2.103 1.00 0.00 O ATOM 85 CB PRO A 9 -1.806 4.202 -4.774 1.00 0.00 C ATOM 86 CG PRO A 9 -0.849 5.336 -4.911 1.00 0.00 C ATOM 87 CD PRO A 9 -1.381 6.434 -4.033 1.00 0.00 C ATOM 0 HA PRO A 9 -3.346 3.969 -3.209 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -1.317 3.246 -4.963 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -2.626 4.287 -5.487 1.00 0.00 H new ATOM 0 HG2 PRO A 9 0.154 5.040 -4.602 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -0.779 5.665 -5.948 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -0.576 7.028 -3.600 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -2.019 7.120 -4.590 1.00 0.00 H new ATOM 95 N GLU A 10 -0.325 3.851 -2.013 1.00 0.00 N ATOM 96 CA GLU A 10 0.548 3.074 -1.141 1.00 0.00 C ATOM 97 C GLU A 10 -0.235 2.488 0.030 1.00 0.00 C ATOM 98 O GLU A 10 -0.157 1.290 0.304 1.00 0.00 O ATOM 99 CB GLU A 10 1.691 3.947 -0.619 1.00 0.00 C ATOM 100 CG GLU A 10 2.642 3.212 0.311 1.00 0.00 C ATOM 101 CD GLU A 10 3.296 4.133 1.323 1.00 0.00 C ATOM 102 OE1 GLU A 10 3.659 5.267 0.947 1.00 0.00 O ATOM 103 OE2 GLU A 10 3.445 3.718 2.492 1.00 0.00 O ATOM 0 H GLU A 10 0.042 4.768 -2.270 1.00 0.00 H new ATOM 0 HA GLU A 10 0.965 2.253 -1.724 1.00 0.00 H new ATOM 0 HB2 GLU A 10 2.254 4.338 -1.466 1.00 0.00 H new ATOM 0 HB3 GLU A 10 1.271 4.804 -0.092 1.00 0.00 H new ATOM 0 HG2 GLU A 10 2.097 2.429 0.837 1.00 0.00 H new ATOM 0 HG3 GLU A 10 3.415 2.720 -0.280 1.00 0.00 H new ATOM 110 N GLN A 11 -0.987 3.341 0.718 1.00 0.00 N ATOM 111 CA GLN A 11 -1.782 2.907 1.861 1.00 0.00 C ATOM 112 C GLN A 11 -2.884 1.947 1.424 1.00 0.00 C ATOM 113 O GLN A 11 -2.993 0.835 1.941 1.00 0.00 O ATOM 114 CB GLN A 11 -2.395 4.116 2.570 1.00 0.00 C ATOM 115 CG GLN A 11 -1.375 4.973 3.303 1.00 0.00 C ATOM 116 CD GLN A 11 -0.482 5.753 2.358 1.00 0.00 C ATOM 117 OE1 GLN A 11 -0.963 6.463 1.475 1.00 0.00 O ATOM 118 NE2 GLN A 11 0.827 5.625 2.541 1.00 0.00 N ATOM 0 H GLN A 11 -1.063 4.335 0.504 1.00 0.00 H new ATOM 0 HA GLN A 11 -1.122 2.384 2.553 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -2.915 4.732 1.836 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -3.144 3.768 3.282 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -1.896 5.668 3.961 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -0.758 4.335 3.936 1.00 0.00 H new ATOM 0 HE21 GLN A 11 1.182 5.025 3.286 1.00 0.00 H new ATOM 0 HE22 GLN A 11 1.478 6.126 1.937 1.00 0.00 H new ATOM 127 N VAL A 12 -3.699 2.383 0.469 1.00 0.00 N ATOM 128 CA VAL A 12 -4.792 1.562 -0.037 1.00 0.00 C ATOM 129 C VAL A 12 -4.396 0.091 -0.087 1.00 0.00 C ATOM 130 O VAL A 12 -5.214 -0.792 0.176 1.00 0.00 O ATOM 131 CB VAL A 12 -5.228 2.013 -1.444 1.00 0.00 C ATOM 132 CG1 VAL A 12 -6.284 1.073 -2.003 1.00 0.00 C ATOM 133 CG2 VAL A 12 -5.741 3.445 -1.409 1.00 0.00 C ATOM 0 H VAL A 12 -3.623 3.301 0.030 1.00 0.00 H new ATOM 0 HA VAL A 12 -5.627 1.687 0.652 1.00 0.00 H new ATOM 0 HB VAL A 12 -4.360 1.978 -2.103 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -6.579 1.408 -2.997 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -5.876 0.064 -2.066 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -7.154 1.072 -1.347 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -6.045 3.747 -2.411 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -6.596 3.509 -0.736 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -4.950 4.106 -1.055 1.00 0.00 H new ATOM 143 N ILE A 13 -3.137 -0.166 -0.426 1.00 0.00 N ATOM 144 CA ILE A 13 -2.633 -1.531 -0.509 1.00 0.00 C ATOM 145 C ILE A 13 -2.584 -2.184 0.869 1.00 0.00 C ATOM 146 O ILE A 13 -3.282 -3.165 1.126 1.00 0.00 O ATOM 147 CB ILE A 13 -1.226 -1.575 -1.134 1.00 0.00 C ATOM 148 CG1 ILE A 13 -1.278 -1.114 -2.593 1.00 0.00 C ATOM 149 CG2 ILE A 13 -0.646 -2.977 -1.036 1.00 0.00 C ATOM 150 CD1 ILE A 13 -2.135 -1.996 -3.474 1.00 0.00 C ATOM 0 H ILE A 13 -2.448 0.553 -0.647 1.00 0.00 H new ATOM 0 HA ILE A 13 -3.323 -2.083 -1.147 1.00 0.00 H new ATOM 0 HB ILE A 13 -0.577 -0.896 -0.581 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -1.662 -0.094 -2.630 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -0.265 -1.088 -2.994 1.00 0.00 H new ATOM 0 HG21 ILE A 13 0.348 -2.991 -1.482 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -0.578 -3.270 0.012 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -1.292 -3.676 -1.567 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -2.126 -1.610 -4.493 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -1.739 -3.012 -3.467 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -3.158 -2.002 -3.097 1.00 0.00 H new ATOM 162 N ARG A 14 -1.758 -1.632 1.751 1.00 0.00 N ATOM 163 CA ARG A 14 -1.619 -2.160 3.102 1.00 0.00 C ATOM 164 C ARG A 14 -2.982 -2.301 3.774 1.00 0.00 C ATOM 165 O ARG A 14 -3.285 -3.329 4.379 1.00 0.00 O ATOM 166 CB ARG A 14 -0.719 -1.248 3.939 1.00 0.00 C ATOM 167 CG ARG A 14 0.748 -1.317 3.549 1.00 0.00 C ATOM 168 CD ARG A 14 1.026 -0.524 2.282 1.00 0.00 C ATOM 169 NE ARG A 14 2.348 0.096 2.302 1.00 0.00 N ATOM 170 CZ ARG A 14 3.483 -0.594 2.333 1.00 0.00 C ATOM 171 NH1 ARG A 14 3.456 -1.920 2.345 1.00 0.00 N ATOM 172 NH2 ARG A 14 4.647 0.041 2.350 1.00 0.00 N ATOM 0 H ARG A 14 -1.175 -0.819 1.554 1.00 0.00 H new ATOM 0 HA ARG A 14 -1.162 -3.147 3.034 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -1.065 -0.219 3.839 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -0.820 -1.517 4.990 1.00 0.00 H new ATOM 0 HG2 ARG A 14 1.361 -0.930 4.363 1.00 0.00 H new ATOM 0 HG3 ARG A 14 1.037 -2.357 3.399 1.00 0.00 H new ATOM 0 HD2 ARG A 14 0.948 -1.183 1.418 1.00 0.00 H new ATOM 0 HD3 ARG A 14 0.266 0.248 2.164 1.00 0.00 H new ATOM 0 HE ARG A 14 2.403 1.114 2.292 1.00 0.00 H new ATOM 0 HH11 ARG A 14 2.563 -2.412 2.330 1.00 0.00 H new ATOM 0 HH12 ARG A 14 4.329 -2.448 2.369 1.00 0.00 H new ATOM 0 HH21 ARG A 14 4.672 1.061 2.339 1.00 0.00 H new ATOM 0 HH22 ARG A 14 5.517 -0.490 2.374 1.00 0.00 H new ATOM 186 N LYS A 15 -3.801 -1.261 3.662 1.00 0.00 N ATOM 187 CA LYS A 15 -5.133 -1.267 4.257 1.00 0.00 C ATOM 188 C LYS A 15 -5.865 -2.567 3.937 1.00 0.00 C ATOM 189 O LYS A 15 -6.784 -2.965 4.653 1.00 0.00 O ATOM 190 CB LYS A 15 -5.946 -0.074 3.751 1.00 0.00 C ATOM 191 CG LYS A 15 -7.294 0.077 4.434 1.00 0.00 C ATOM 192 CD LYS A 15 -8.031 1.313 3.945 1.00 0.00 C ATOM 193 CE LYS A 15 -9.500 1.277 4.338 1.00 0.00 C ATOM 194 NZ LYS A 15 -9.700 1.626 5.772 1.00 0.00 N ATOM 0 H LYS A 15 -3.566 -0.402 3.164 1.00 0.00 H new ATOM 0 HA LYS A 15 -5.021 -1.189 5.338 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -5.368 0.838 3.900 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -6.102 -0.180 2.677 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -7.901 -0.808 4.244 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -7.151 0.140 5.513 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -7.564 2.205 4.361 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -7.945 1.384 2.861 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -10.060 1.973 3.713 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -9.903 0.282 4.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -10.714 1.590 6.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -9.187 0.947 6.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -9.339 2.585 5.949 1.00 0.00 H new ATOM 208 N TYR A 16 -5.451 -3.224 2.859 1.00 0.00 N ATOM 209 CA TYR A 16 -6.068 -4.478 2.445 1.00 0.00 C ATOM 210 C TYR A 16 -5.085 -5.637 2.573 1.00 0.00 C ATOM 211 O TYR A 16 -5.484 -6.799 2.661 1.00 0.00 O ATOM 212 CB TYR A 16 -6.565 -4.373 1.002 1.00 0.00 C ATOM 213 CG TYR A 16 -7.593 -3.284 0.793 1.00 0.00 C ATOM 214 CD1 TYR A 16 -8.664 -3.135 1.667 1.00 0.00 C ATOM 215 CD2 TYR A 16 -7.494 -2.404 -0.277 1.00 0.00 C ATOM 216 CE1 TYR A 16 -9.605 -2.142 1.479 1.00 0.00 C ATOM 217 CE2 TYR A 16 -8.430 -1.407 -0.472 1.00 0.00 C ATOM 218 CZ TYR A 16 -9.484 -1.281 0.408 1.00 0.00 C ATOM 219 OH TYR A 16 -10.420 -0.289 0.219 1.00 0.00 O ATOM 0 H TYR A 16 -4.691 -2.909 2.256 1.00 0.00 H new ATOM 0 HA TYR A 16 -6.916 -4.671 3.102 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -5.714 -4.188 0.346 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -6.995 -5.329 0.704 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -8.762 -3.807 2.507 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -6.670 -2.501 -0.969 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -10.431 -2.040 2.167 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -8.337 -0.730 -1.309 1.00 0.00 H new ATOM 0 HH TYR A 16 -10.189 0.231 -0.579 1.00 0.00 H new ATOM 229 N THR A 17 -3.796 -5.313 2.584 1.00 0.00 N ATOM 230 CA THR A 17 -2.754 -6.326 2.701 1.00 0.00 C ATOM 231 C THR A 17 -1.896 -6.092 3.938 1.00 0.00 C ATOM 232 O THR A 17 -1.449 -4.974 4.191 1.00 0.00 O ATOM 233 CB THR A 17 -1.847 -6.344 1.456 1.00 0.00 C ATOM 234 OG1 THR A 17 -1.149 -5.099 1.340 1.00 0.00 O ATOM 235 CG2 THR A 17 -2.661 -6.595 0.196 1.00 0.00 C ATOM 0 H THR A 17 -3.448 -4.357 2.513 1.00 0.00 H new ATOM 0 HA THR A 17 -3.257 -7.289 2.789 1.00 0.00 H new ATOM 0 HB THR A 17 -1.127 -7.154 1.571 1.00 0.00 H new ATOM 0 HG1 THR A 17 -1.788 -4.359 1.404 1.00 0.00 H new ATOM 0 HG21 THR A 17 -1.999 -6.603 -0.670 1.00 0.00 H new ATOM 0 HG22 THR A 17 -3.167 -7.557 0.275 1.00 0.00 H new ATOM 0 HG23 THR A 17 -3.402 -5.804 0.078 1.00 0.00 H new ATOM 243 N GLU A 18 -1.670 -7.153 4.706 1.00 0.00 N ATOM 244 CA GLU A 18 -0.865 -7.061 5.918 1.00 0.00 C ATOM 245 C GLU A 18 0.476 -7.766 5.735 1.00 0.00 C ATOM 246 O GLU A 18 0.537 -8.992 5.647 1.00 0.00 O ATOM 247 CB GLU A 18 -1.616 -7.670 7.104 1.00 0.00 C ATOM 248 CG GLU A 18 -1.254 -7.044 8.440 1.00 0.00 C ATOM 249 CD GLU A 18 -2.088 -7.588 9.584 1.00 0.00 C ATOM 250 OE1 GLU A 18 -2.461 -8.778 9.531 1.00 0.00 O ATOM 251 OE2 GLU A 18 -2.368 -6.823 10.531 1.00 0.00 O ATOM 0 H GLU A 18 -2.033 -8.086 4.510 1.00 0.00 H new ATOM 0 HA GLU A 18 -0.677 -6.006 6.119 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -2.688 -7.560 6.939 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.408 -8.739 7.145 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -0.199 -7.223 8.647 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.388 -5.964 8.379 1.00 0.00 H new ATOM 258 N GLU A 19 1.548 -6.981 5.678 1.00 0.00 N ATOM 259 CA GLU A 19 2.888 -7.530 5.504 1.00 0.00 C ATOM 260 C GLU A 19 3.182 -8.592 6.560 1.00 0.00 C ATOM 261 O GLU A 19 2.710 -8.504 7.694 1.00 0.00 O ATOM 262 CB GLU A 19 3.933 -6.416 5.581 1.00 0.00 C ATOM 263 CG GLU A 19 5.366 -6.923 5.565 1.00 0.00 C ATOM 264 CD GLU A 19 5.903 -7.199 6.956 1.00 0.00 C ATOM 265 OE1 GLU A 19 5.087 -7.467 7.863 1.00 0.00 O ATOM 266 OE2 GLU A 19 7.137 -7.148 7.137 1.00 0.00 O ATOM 0 H GLU A 19 1.515 -5.964 5.750 1.00 0.00 H new ATOM 0 HA GLU A 19 2.937 -7.997 4.520 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.788 -5.735 4.742 1.00 0.00 H new ATOM 0 HB3 GLU A 19 3.771 -5.839 6.492 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.418 -7.836 4.972 1.00 0.00 H new ATOM 0 HG3 GLU A 19 6.002 -6.187 5.073 1.00 0.00 H new ATOM 273 N LEU A 20 3.963 -9.597 6.178 1.00 0.00 N ATOM 274 CA LEU A 20 4.320 -10.677 7.090 1.00 0.00 C ATOM 275 C LEU A 20 5.794 -10.600 7.476 1.00 0.00 C ATOM 276 O LEU A 20 6.651 -10.307 6.641 1.00 0.00 O ATOM 277 CB LEU A 20 4.020 -12.033 6.449 1.00 0.00 C ATOM 278 CG LEU A 20 2.617 -12.203 5.864 1.00 0.00 C ATOM 279 CD1 LEU A 20 2.428 -13.615 5.333 1.00 0.00 C ATOM 280 CD2 LEU A 20 1.561 -11.879 6.910 1.00 0.00 C ATOM 0 H LEU A 20 4.361 -9.686 5.243 1.00 0.00 H new ATOM 0 HA LEU A 20 3.720 -10.568 7.994 1.00 0.00 H new ATOM 0 HB2 LEU A 20 4.746 -12.206 5.655 1.00 0.00 H new ATOM 0 HB3 LEU A 20 4.176 -12.809 7.198 1.00 0.00 H new ATOM 0 HG LEU A 20 2.503 -11.506 5.033 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.424 -13.717 4.921 1.00 0.00 H new ATOM 0 HD12 LEU A 20 3.163 -13.811 4.552 1.00 0.00 H new ATOM 0 HD13 LEU A 20 2.561 -14.330 6.145 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.569 -12.005 6.477 1.00 0.00 H new ATOM 0 HD22 LEU A 20 1.673 -12.551 7.761 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.683 -10.848 7.243 1.00 0.00 H new ATOM 292 N LYS A 21 6.083 -10.866 8.745 1.00 0.00 N ATOM 293 CA LYS A 21 7.454 -10.830 9.242 1.00 0.00 C ATOM 294 C LYS A 21 8.420 -11.415 8.216 1.00 0.00 C ATOM 295 O LYS A 21 9.568 -10.984 8.114 1.00 0.00 O ATOM 296 CB LYS A 21 7.561 -11.603 10.558 1.00 0.00 C ATOM 297 CG LYS A 21 7.318 -10.745 11.788 1.00 0.00 C ATOM 298 CD LYS A 21 5.841 -10.441 11.973 1.00 0.00 C ATOM 299 CE LYS A 21 5.088 -11.644 12.521 1.00 0.00 C ATOM 300 NZ LYS A 21 3.614 -11.438 12.488 1.00 0.00 N ATOM 0 H LYS A 21 5.386 -11.109 9.449 1.00 0.00 H new ATOM 0 HA LYS A 21 7.724 -9.788 9.416 1.00 0.00 H new ATOM 0 HB2 LYS A 21 6.842 -12.422 10.548 1.00 0.00 H new ATOM 0 HB3 LYS A 21 8.552 -12.051 10.627 1.00 0.00 H new ATOM 0 HG2 LYS A 21 7.698 -11.258 12.671 1.00 0.00 H new ATOM 0 HG3 LYS A 21 7.874 -9.812 11.697 1.00 0.00 H new ATOM 0 HD2 LYS A 21 5.725 -9.597 12.653 1.00 0.00 H new ATOM 0 HD3 LYS A 21 5.407 -10.143 11.018 1.00 0.00 H new ATOM 0 HE2 LYS A 21 5.344 -12.529 11.938 1.00 0.00 H new ATOM 0 HE3 LYS A 21 5.405 -11.835 13.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 3.137 -12.280 12.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 3.366 -10.609 13.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 3.307 -11.281 11.507 1.00 0.00 H new ATOM 314 N VAL A 22 7.946 -12.399 7.458 1.00 0.00 N ATOM 315 CA VAL A 22 8.767 -13.041 6.438 1.00 0.00 C ATOM 316 C VAL A 22 7.903 -13.637 5.332 1.00 0.00 C ATOM 317 O VAL A 22 6.874 -14.256 5.600 1.00 0.00 O ATOM 318 CB VAL A 22 9.645 -14.152 7.043 1.00 0.00 C ATOM 319 CG1 VAL A 22 10.460 -14.840 5.958 1.00 0.00 C ATOM 320 CG2 VAL A 22 10.554 -13.584 8.123 1.00 0.00 C ATOM 0 H VAL A 22 6.998 -12.769 7.531 1.00 0.00 H new ATOM 0 HA VAL A 22 9.410 -12.269 6.016 1.00 0.00 H new ATOM 0 HB VAL A 22 8.993 -14.896 7.502 1.00 0.00 H new ATOM 0 HG11 VAL A 22 11.074 -15.622 6.405 1.00 0.00 H new ATOM 0 HG12 VAL A 22 9.787 -15.282 5.223 1.00 0.00 H new ATOM 0 HG13 VAL A 22 11.103 -14.109 5.468 1.00 0.00 H new ATOM 0 HG21 VAL A 22 11.167 -14.383 8.540 1.00 0.00 H new ATOM 0 HG22 VAL A 22 11.199 -12.819 7.690 1.00 0.00 H new ATOM 0 HG23 VAL A 22 9.948 -13.142 8.914 1.00 0.00 H new ATOM 330 N ALA A 23 8.330 -13.445 4.088 1.00 0.00 N ATOM 331 CA ALA A 23 7.597 -13.965 2.941 1.00 0.00 C ATOM 332 C ALA A 23 7.074 -15.372 3.215 1.00 0.00 C ATOM 333 O ALA A 23 7.815 -16.266 3.623 1.00 0.00 O ATOM 334 CB ALA A 23 8.482 -13.961 1.703 1.00 0.00 C ATOM 0 H ALA A 23 9.179 -12.933 3.849 1.00 0.00 H new ATOM 0 HA ALA A 23 6.740 -13.315 2.764 1.00 0.00 H new ATOM 0 HB1 ALA A 23 7.922 -14.352 0.854 1.00 0.00 H new ATOM 0 HB2 ALA A 23 8.802 -12.942 1.488 1.00 0.00 H new ATOM 0 HB3 ALA A 23 9.357 -14.587 1.879 1.00 0.00 H new ATOM 340 N PRO A 24 5.768 -15.573 2.987 1.00 0.00 N ATOM 341 CA PRO A 24 5.118 -16.869 3.203 1.00 0.00 C ATOM 342 C PRO A 24 5.557 -17.915 2.184 1.00 0.00 C ATOM 343 O PRO A 24 6.468 -17.678 1.392 1.00 0.00 O ATOM 344 CB PRO A 24 3.630 -16.552 3.035 1.00 0.00 C ATOM 345 CG PRO A 24 3.596 -15.348 2.159 1.00 0.00 C ATOM 346 CD PRO A 24 4.825 -14.552 2.500 1.00 0.00 C ATOM 0 HA PRO A 24 5.371 -17.294 4.174 1.00 0.00 H new ATOM 0 HB2 PRO A 24 3.096 -17.387 2.581 1.00 0.00 H new ATOM 0 HB3 PRO A 24 3.156 -16.355 3.997 1.00 0.00 H new ATOM 0 HG2 PRO A 24 3.594 -15.631 1.106 1.00 0.00 H new ATOM 0 HG3 PRO A 24 2.692 -14.764 2.333 1.00 0.00 H new ATOM 0 HD2 PRO A 24 5.217 -14.025 1.630 1.00 0.00 H new ATOM 0 HD3 PRO A 24 4.618 -13.800 3.261 1.00 0.00 H new ATOM 354 N GLU A 25 4.903 -19.072 2.211 1.00 0.00 N ATOM 355 CA GLU A 25 5.228 -20.154 1.289 1.00 0.00 C ATOM 356 C GLU A 25 4.318 -20.118 0.065 1.00 0.00 C ATOM 357 O GLU A 25 4.001 -21.155 -0.516 1.00 0.00 O ATOM 358 CB GLU A 25 5.102 -21.508 1.992 1.00 0.00 C ATOM 359 CG GLU A 25 6.148 -21.734 3.070 1.00 0.00 C ATOM 360 CD GLU A 25 5.717 -21.201 4.422 1.00 0.00 C ATOM 361 OE1 GLU A 25 4.500 -21.200 4.700 1.00 0.00 O ATOM 362 OE2 GLU A 25 6.598 -20.784 5.203 1.00 0.00 O ATOM 0 H GLU A 25 4.146 -19.284 2.861 1.00 0.00 H new ATOM 0 HA GLU A 25 6.258 -20.018 0.959 1.00 0.00 H new ATOM 0 HB2 GLU A 25 4.110 -21.585 2.438 1.00 0.00 H new ATOM 0 HB3 GLU A 25 5.180 -22.302 1.249 1.00 0.00 H new ATOM 0 HG2 GLU A 25 6.354 -22.801 3.153 1.00 0.00 H new ATOM 0 HG3 GLU A 25 7.080 -21.252 2.774 1.00 0.00 H new ATOM 369 N GLU A 26 3.903 -18.915 -0.320 1.00 0.00 N ATOM 370 CA GLU A 26 3.028 -18.743 -1.475 1.00 0.00 C ATOM 371 C GLU A 26 3.807 -18.204 -2.671 1.00 0.00 C ATOM 372 O GLU A 26 4.946 -17.759 -2.535 1.00 0.00 O ATOM 373 CB GLU A 26 1.876 -17.796 -1.133 1.00 0.00 C ATOM 374 CG GLU A 26 0.667 -17.956 -2.040 1.00 0.00 C ATOM 375 CD GLU A 26 0.300 -19.409 -2.270 1.00 0.00 C ATOM 376 OE1 GLU A 26 0.840 -20.015 -3.219 1.00 0.00 O ATOM 377 OE2 GLU A 26 -0.528 -19.941 -1.501 1.00 0.00 O ATOM 0 H GLU A 26 4.158 -18.046 0.150 1.00 0.00 H new ATOM 0 HA GLU A 26 2.620 -19.719 -1.739 1.00 0.00 H new ATOM 0 HB2 GLU A 26 1.570 -17.967 -0.101 1.00 0.00 H new ATOM 0 HB3 GLU A 26 2.232 -16.768 -1.194 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -0.184 -17.435 -1.601 1.00 0.00 H new ATOM 0 HG3 GLU A 26 0.871 -17.480 -2.999 1.00 0.00 H new ATOM 384 N ASP A 27 3.183 -18.249 -3.844 1.00 0.00 N ATOM 385 CA ASP A 27 3.816 -17.765 -5.065 1.00 0.00 C ATOM 386 C ASP A 27 3.008 -16.628 -5.682 1.00 0.00 C ATOM 387 O ASP A 27 1.777 -16.657 -5.685 1.00 0.00 O ATOM 388 CB ASP A 27 3.967 -18.906 -6.073 1.00 0.00 C ATOM 389 CG ASP A 27 4.134 -20.254 -5.401 1.00 0.00 C ATOM 390 OD1 ASP A 27 3.158 -20.738 -4.791 1.00 0.00 O ATOM 391 OD2 ASP A 27 5.242 -20.826 -5.484 1.00 0.00 O ATOM 0 H ASP A 27 2.240 -18.616 -3.974 1.00 0.00 H new ATOM 0 HA ASP A 27 4.805 -17.385 -4.807 1.00 0.00 H new ATOM 0 HB2 ASP A 27 3.091 -18.933 -6.721 1.00 0.00 H new ATOM 0 HB3 ASP A 27 4.830 -18.712 -6.711 1.00 0.00 H new ATOM 396 N CYS A 28 3.709 -15.626 -6.203 1.00 0.00 N ATOM 397 CA CYS A 28 3.058 -14.478 -6.822 1.00 0.00 C ATOM 398 C CYS A 28 2.777 -14.742 -8.298 1.00 0.00 C ATOM 399 O CYS A 28 3.695 -14.980 -9.083 1.00 0.00 O ATOM 400 CB CYS A 28 3.930 -13.230 -6.673 1.00 0.00 C ATOM 401 SG CYS A 28 3.257 -11.750 -7.496 1.00 0.00 S ATOM 0 H CYS A 28 4.728 -15.586 -6.209 1.00 0.00 H new ATOM 0 HA CYS A 28 2.108 -14.313 -6.314 1.00 0.00 H new ATOM 0 HB2 CYS A 28 4.060 -13.015 -5.612 1.00 0.00 H new ATOM 0 HB3 CYS A 28 4.919 -13.440 -7.079 1.00 0.00 H new ATOM 0 HG CYS A 28 3.059 -10.816 -6.614 1.00 0.00 H new ATOM 406 N ILE A 29 1.501 -14.698 -8.669 1.00 0.00 N ATOM 407 CA ILE A 29 1.099 -14.931 -10.051 1.00 0.00 C ATOM 408 C ILE A 29 1.189 -13.650 -10.873 1.00 0.00 C ATOM 409 O ILE A 29 1.256 -13.693 -12.102 1.00 0.00 O ATOM 410 CB ILE A 29 -0.337 -15.482 -10.134 1.00 0.00 C ATOM 411 CG1 ILE A 29 -1.339 -14.425 -9.665 1.00 0.00 C ATOM 412 CG2 ILE A 29 -0.467 -16.749 -9.302 1.00 0.00 C ATOM 413 CD1 ILE A 29 -1.898 -13.581 -10.790 1.00 0.00 C ATOM 0 H ILE A 29 0.729 -14.503 -8.032 1.00 0.00 H new ATOM 0 HA ILE A 29 1.787 -15.671 -10.460 1.00 0.00 H new ATOM 0 HB ILE A 29 -0.557 -15.729 -11.173 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -2.162 -14.920 -9.149 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -0.854 -13.773 -8.939 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -1.487 -17.126 -9.371 1.00 0.00 H new ATOM 0 HG22 ILE A 29 0.225 -17.503 -9.677 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -0.232 -16.527 -8.261 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -2.601 -12.853 -10.384 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -1.084 -13.058 -11.292 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -2.412 -14.223 -11.505 1.00 0.00 H new ATOM 425 N ILE A 30 1.192 -12.513 -10.187 1.00 0.00 N ATOM 426 CA ILE A 30 1.277 -11.219 -10.854 1.00 0.00 C ATOM 427 C ILE A 30 2.570 -11.097 -11.653 1.00 0.00 C ATOM 428 O ILE A 30 2.577 -10.568 -12.765 1.00 0.00 O ATOM 429 CB ILE A 30 1.200 -10.059 -9.844 1.00 0.00 C ATOM 430 CG1 ILE A 30 -0.153 -10.065 -9.129 1.00 0.00 C ATOM 431 CG2 ILE A 30 1.428 -8.729 -10.546 1.00 0.00 C ATOM 432 CD1 ILE A 30 -0.184 -9.204 -7.886 1.00 0.00 C ATOM 0 H ILE A 30 1.137 -12.461 -9.170 1.00 0.00 H new ATOM 0 HA ILE A 30 0.426 -11.157 -11.532 1.00 0.00 H new ATOM 0 HB ILE A 30 1.984 -10.193 -9.099 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -0.921 -9.719 -9.820 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -0.407 -11.090 -8.858 1.00 0.00 H new ATOM 0 HG21 ILE A 30 1.370 -7.919 -9.819 1.00 0.00 H new ATOM 0 HG22 ILE A 30 2.413 -8.728 -11.013 1.00 0.00 H new ATOM 0 HG23 ILE A 30 0.664 -8.585 -11.310 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.173 -9.256 -7.432 1.00 0.00 H new ATOM 0 HD12 ILE A 30 0.561 -9.563 -7.176 1.00 0.00 H new ATOM 0 HD13 ILE A 30 0.038 -8.171 -8.153 1.00 0.00 H new ATOM 444 N CYS A 31 3.662 -11.590 -11.080 1.00 0.00 N ATOM 445 CA CYS A 31 4.962 -11.538 -11.739 1.00 0.00 C ATOM 446 C CYS A 31 5.518 -12.943 -11.956 1.00 0.00 C ATOM 447 O CYS A 31 6.567 -13.117 -12.576 1.00 0.00 O ATOM 448 CB CYS A 31 5.945 -10.711 -10.909 1.00 0.00 C ATOM 449 SG CYS A 31 6.332 -11.431 -9.280 1.00 0.00 S ATOM 0 H CYS A 31 3.673 -12.030 -10.160 1.00 0.00 H new ATOM 0 HA CYS A 31 4.830 -11.064 -12.712 1.00 0.00 H new ATOM 0 HB2 CYS A 31 6.871 -10.594 -11.472 1.00 0.00 H new ATOM 0 HB3 CYS A 31 5.532 -9.713 -10.764 1.00 0.00 H new ATOM 0 HG CYS A 31 5.236 -11.564 -8.593 1.00 0.00 H new ATOM 454 N MET A 32 4.807 -13.941 -11.442 1.00 0.00 N ATOM 455 CA MET A 32 5.229 -15.330 -11.581 1.00 0.00 C ATOM 456 C MET A 32 6.611 -15.542 -10.972 1.00 0.00 C ATOM 457 O MET A 32 7.480 -16.162 -11.585 1.00 0.00 O ATOM 458 CB MET A 32 5.240 -15.737 -13.056 1.00 0.00 C ATOM 459 CG MET A 32 3.866 -16.093 -13.599 1.00 0.00 C ATOM 460 SD MET A 32 3.120 -17.491 -12.738 1.00 0.00 S ATOM 461 CE MET A 32 4.336 -18.769 -13.051 1.00 0.00 C ATOM 0 H MET A 32 3.937 -13.814 -10.926 1.00 0.00 H new ATOM 0 HA MET A 32 4.516 -15.956 -11.045 1.00 0.00 H new ATOM 0 HB2 MET A 32 5.654 -14.920 -13.647 1.00 0.00 H new ATOM 0 HB3 MET A 32 5.905 -16.592 -13.184 1.00 0.00 H new ATOM 0 HG2 MET A 32 3.210 -15.227 -13.514 1.00 0.00 H new ATOM 0 HG3 MET A 32 3.948 -16.327 -14.660 1.00 0.00 H new ATOM 0 HE1 MET A 32 3.890 -19.747 -12.872 1.00 0.00 H new ATOM 0 HE2 MET A 32 4.671 -18.707 -14.086 1.00 0.00 H new ATOM 0 HE3 MET A 32 5.188 -18.632 -12.385 1.00 0.00 H new ATOM 471 N GLU A 33 6.807 -15.022 -9.764 1.00 0.00 N ATOM 472 CA GLU A 33 8.085 -15.154 -9.075 1.00 0.00 C ATOM 473 C GLU A 33 7.877 -15.507 -7.605 1.00 0.00 C ATOM 474 O GLU A 33 6.950 -15.014 -6.961 1.00 0.00 O ATOM 475 CB GLU A 33 8.889 -13.858 -9.190 1.00 0.00 C ATOM 476 CG GLU A 33 9.160 -13.435 -10.625 1.00 0.00 C ATOM 477 CD GLU A 33 10.187 -14.316 -11.309 1.00 0.00 C ATOM 478 OE1 GLU A 33 9.853 -15.476 -11.629 1.00 0.00 O ATOM 479 OE2 GLU A 33 11.324 -13.846 -11.524 1.00 0.00 O ATOM 0 H GLU A 33 6.098 -14.506 -9.243 1.00 0.00 H new ATOM 0 HA GLU A 33 8.642 -15.962 -9.550 1.00 0.00 H new ATOM 0 HB2 GLU A 33 8.350 -13.059 -8.680 1.00 0.00 H new ATOM 0 HB3 GLU A 33 9.839 -13.983 -8.671 1.00 0.00 H new ATOM 0 HG2 GLU A 33 8.228 -13.463 -11.190 1.00 0.00 H new ATOM 0 HG3 GLU A 33 9.508 -12.402 -10.636 1.00 0.00 H new ATOM 486 N LYS A 34 8.744 -16.365 -7.080 1.00 0.00 N ATOM 487 CA LYS A 34 8.658 -16.785 -5.686 1.00 0.00 C ATOM 488 C LYS A 34 8.833 -15.596 -4.747 1.00 0.00 C ATOM 489 O LYS A 34 9.773 -14.812 -4.891 1.00 0.00 O ATOM 490 CB LYS A 34 9.718 -17.847 -5.385 1.00 0.00 C ATOM 491 CG LYS A 34 9.264 -19.264 -5.690 1.00 0.00 C ATOM 492 CD LYS A 34 10.444 -20.181 -5.965 1.00 0.00 C ATOM 493 CE LYS A 34 11.130 -20.607 -4.676 1.00 0.00 C ATOM 494 NZ LYS A 34 11.903 -21.868 -4.851 1.00 0.00 N ATOM 0 H LYS A 34 9.516 -16.784 -7.599 1.00 0.00 H new ATOM 0 HA LYS A 34 7.668 -17.212 -5.522 1.00 0.00 H new ATOM 0 HB2 LYS A 34 10.614 -17.629 -5.966 1.00 0.00 H new ATOM 0 HB3 LYS A 34 9.997 -17.782 -4.333 1.00 0.00 H new ATOM 0 HG2 LYS A 34 8.689 -19.652 -4.849 1.00 0.00 H new ATOM 0 HG3 LYS A 34 8.599 -19.256 -6.554 1.00 0.00 H new ATOM 0 HD2 LYS A 34 10.102 -21.064 -6.506 1.00 0.00 H new ATOM 0 HD3 LYS A 34 11.161 -19.671 -6.609 1.00 0.00 H new ATOM 0 HE2 LYS A 34 11.799 -19.814 -4.341 1.00 0.00 H new ATOM 0 HE3 LYS A 34 10.382 -20.744 -3.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 12.356 -22.125 -3.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 11.261 -22.631 -5.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 12.633 -21.729 -5.579 1.00 0.00 H new ATOM 508 N LEU A 35 7.926 -15.467 -3.786 1.00 0.00 N ATOM 509 CA LEU A 35 7.982 -14.374 -2.822 1.00 0.00 C ATOM 510 C LEU A 35 9.373 -14.261 -2.207 1.00 0.00 C ATOM 511 O LEU A 35 9.808 -13.174 -1.828 1.00 0.00 O ATOM 512 CB LEU A 35 6.941 -14.585 -1.721 1.00 0.00 C ATOM 513 CG LEU A 35 5.499 -14.786 -2.190 1.00 0.00 C ATOM 514 CD1 LEU A 35 4.600 -15.140 -1.016 1.00 0.00 C ATOM 515 CD2 LEU A 35 4.990 -13.540 -2.899 1.00 0.00 C ATOM 0 H LEU A 35 7.142 -16.106 -3.653 1.00 0.00 H new ATOM 0 HA LEU A 35 7.761 -13.446 -3.349 1.00 0.00 H new ATOM 0 HB2 LEU A 35 7.235 -15.454 -1.132 1.00 0.00 H new ATOM 0 HB3 LEU A 35 6.968 -13.724 -1.053 1.00 0.00 H new ATOM 0 HG LEU A 35 5.480 -15.615 -2.898 1.00 0.00 H new ATOM 0 HD11 LEU A 35 3.578 -15.279 -1.369 1.00 0.00 H new ATOM 0 HD12 LEU A 35 4.952 -16.062 -0.553 1.00 0.00 H new ATOM 0 HD13 LEU A 35 4.624 -14.333 -0.283 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.963 -13.701 -3.226 1.00 0.00 H new ATOM 0 HD22 LEU A 35 5.024 -12.692 -2.215 1.00 0.00 H new ATOM 0 HD23 LEU A 35 5.618 -13.332 -3.765 1.00 0.00 H new ATOM 527 N ALA A 36 10.066 -15.390 -2.113 1.00 0.00 N ATOM 528 CA ALA A 36 11.410 -15.417 -1.548 1.00 0.00 C ATOM 529 C ALA A 36 12.315 -14.401 -2.236 1.00 0.00 C ATOM 530 O ALA A 36 13.174 -13.789 -1.600 1.00 0.00 O ATOM 531 CB ALA A 36 12.002 -16.814 -1.660 1.00 0.00 C ATOM 0 H ALA A 36 9.719 -16.299 -2.421 1.00 0.00 H new ATOM 0 HA ALA A 36 11.340 -15.147 -0.494 1.00 0.00 H new ATOM 0 HB1 ALA A 36 13.005 -16.819 -1.234 1.00 0.00 H new ATOM 0 HB2 ALA A 36 11.374 -17.520 -1.117 1.00 0.00 H new ATOM 0 HB3 ALA A 36 12.052 -17.105 -2.709 1.00 0.00 H new ATOM 537 N VAL A 37 12.118 -14.225 -3.538 1.00 0.00 N ATOM 538 CA VAL A 37 12.916 -13.282 -4.312 1.00 0.00 C ATOM 539 C VAL A 37 12.210 -11.937 -4.436 1.00 0.00 C ATOM 540 O VAL A 37 11.067 -11.782 -4.007 1.00 0.00 O ATOM 541 CB VAL A 37 13.214 -13.824 -5.723 1.00 0.00 C ATOM 542 CG1 VAL A 37 13.986 -15.133 -5.640 1.00 0.00 C ATOM 543 CG2 VAL A 37 11.924 -14.006 -6.507 1.00 0.00 C ATOM 0 H VAL A 37 11.412 -14.724 -4.080 1.00 0.00 H new ATOM 0 HA VAL A 37 13.856 -13.148 -3.776 1.00 0.00 H new ATOM 0 HB VAL A 37 13.833 -13.097 -6.249 1.00 0.00 H new ATOM 0 HG11 VAL A 37 14.188 -15.501 -6.646 1.00 0.00 H new ATOM 0 HG12 VAL A 37 14.929 -14.967 -5.119 1.00 0.00 H new ATOM 0 HG13 VAL A 37 13.395 -15.870 -5.096 1.00 0.00 H new ATOM 0 HG21 VAL A 37 12.153 -14.389 -7.501 1.00 0.00 H new ATOM 0 HG22 VAL A 37 11.278 -14.712 -5.986 1.00 0.00 H new ATOM 0 HG23 VAL A 37 11.414 -13.047 -6.597 1.00 0.00 H new ATOM 553 N ALA A 38 12.899 -10.965 -5.026 1.00 0.00 N ATOM 554 CA ALA A 38 12.337 -9.633 -5.209 1.00 0.00 C ATOM 555 C ALA A 38 11.167 -9.659 -6.186 1.00 0.00 C ATOM 556 O ALA A 38 10.921 -10.668 -6.847 1.00 0.00 O ATOM 557 CB ALA A 38 13.411 -8.670 -5.694 1.00 0.00 C ATOM 0 H ALA A 38 13.847 -11.076 -5.385 1.00 0.00 H new ATOM 0 HA ALA A 38 11.963 -9.288 -4.245 1.00 0.00 H new ATOM 0 HB1 ALA A 38 12.978 -7.679 -5.827 1.00 0.00 H new ATOM 0 HB2 ALA A 38 14.214 -8.620 -4.958 1.00 0.00 H new ATOM 0 HB3 ALA A 38 13.812 -9.021 -6.645 1.00 0.00 H new ATOM 563 N SER A 39 10.448 -8.545 -6.271 1.00 0.00 N ATOM 564 CA SER A 39 9.300 -8.443 -7.164 1.00 0.00 C ATOM 565 C SER A 39 9.749 -8.181 -8.599 1.00 0.00 C ATOM 566 O SER A 39 10.820 -7.623 -8.834 1.00 0.00 O ATOM 567 CB SER A 39 8.363 -7.326 -6.700 1.00 0.00 C ATOM 568 OG SER A 39 7.451 -6.967 -7.723 1.00 0.00 O ATOM 0 H SER A 39 10.640 -7.700 -5.732 1.00 0.00 H new ATOM 0 HA SER A 39 8.765 -9.392 -7.136 1.00 0.00 H new ATOM 0 HB2 SER A 39 7.814 -7.652 -5.817 1.00 0.00 H new ATOM 0 HB3 SER A 39 8.948 -6.454 -6.408 1.00 0.00 H new ATOM 0 HG SER A 39 6.601 -7.433 -7.582 1.00 0.00 H new ATOM 574 N GLY A 40 8.921 -8.589 -9.556 1.00 0.00 N ATOM 575 CA GLY A 40 9.250 -8.391 -10.955 1.00 0.00 C ATOM 576 C GLY A 40 9.065 -6.953 -11.396 1.00 0.00 C ATOM 577 O GLY A 40 9.710 -6.499 -12.342 1.00 0.00 O ATOM 0 H GLY A 40 8.028 -9.053 -9.387 1.00 0.00 H new ATOM 0 HA2 GLY A 40 10.284 -8.691 -11.128 1.00 0.00 H new ATOM 0 HA3 GLY A 40 8.623 -9.039 -11.568 1.00 0.00 H new ATOM 581 N TYR A 41 8.182 -6.235 -10.711 1.00 0.00 N ATOM 582 CA TYR A 41 7.912 -4.840 -11.040 1.00 0.00 C ATOM 583 C TYR A 41 8.928 -3.917 -10.376 1.00 0.00 C ATOM 584 O TYR A 41 8.937 -2.709 -10.616 1.00 0.00 O ATOM 585 CB TYR A 41 6.497 -4.457 -10.605 1.00 0.00 C ATOM 586 CG TYR A 41 5.412 -5.211 -11.340 1.00 0.00 C ATOM 587 CD1 TYR A 41 5.235 -6.576 -11.150 1.00 0.00 C ATOM 588 CD2 TYR A 41 4.562 -4.558 -12.225 1.00 0.00 C ATOM 589 CE1 TYR A 41 4.246 -7.268 -11.820 1.00 0.00 C ATOM 590 CE2 TYR A 41 3.569 -5.242 -12.898 1.00 0.00 C ATOM 591 CZ TYR A 41 3.415 -6.597 -12.693 1.00 0.00 C ATOM 592 OH TYR A 41 2.428 -7.284 -13.362 1.00 0.00 O ATOM 0 H TYR A 41 7.641 -6.595 -9.925 1.00 0.00 H new ATOM 0 HA TYR A 41 7.997 -4.725 -12.121 1.00 0.00 H new ATOM 0 HB2 TYR A 41 6.393 -4.639 -9.535 1.00 0.00 H new ATOM 0 HB3 TYR A 41 6.355 -3.388 -10.762 1.00 0.00 H new ATOM 0 HD1 TYR A 41 5.882 -7.105 -10.466 1.00 0.00 H new ATOM 0 HD2 TYR A 41 4.680 -3.497 -12.389 1.00 0.00 H new ATOM 0 HE1 TYR A 41 4.124 -8.329 -11.661 1.00 0.00 H new ATOM 0 HE2 TYR A 41 2.917 -4.719 -13.581 1.00 0.00 H new ATOM 0 HH TYR A 41 2.516 -8.243 -13.180 1.00 0.00 H new ATOM 602 N SER A 42 9.785 -4.494 -9.539 1.00 0.00 N ATOM 603 CA SER A 42 10.804 -3.724 -8.837 1.00 0.00 C ATOM 604 C SER A 42 11.346 -2.605 -9.721 1.00 0.00 C ATOM 605 O SER A 42 11.744 -1.548 -9.231 1.00 0.00 O ATOM 606 CB SER A 42 11.948 -4.637 -8.393 1.00 0.00 C ATOM 607 OG SER A 42 12.943 -3.907 -7.696 1.00 0.00 O ATOM 0 H SER A 42 9.793 -5.493 -9.331 1.00 0.00 H new ATOM 0 HA SER A 42 10.343 -3.277 -7.957 1.00 0.00 H new ATOM 0 HB2 SER A 42 11.558 -5.428 -7.753 1.00 0.00 H new ATOM 0 HB3 SER A 42 12.391 -5.120 -9.264 1.00 0.00 H new ATOM 0 HG SER A 42 13.662 -4.514 -7.422 1.00 0.00 H new ATOM 613 N ASP A 43 11.357 -2.846 -11.028 1.00 0.00 N ATOM 614 CA ASP A 43 11.848 -1.859 -11.983 1.00 0.00 C ATOM 615 C ASP A 43 10.729 -0.916 -12.414 1.00 0.00 C ATOM 616 O ASP A 43 10.873 0.304 -12.350 1.00 0.00 O ATOM 617 CB ASP A 43 12.445 -2.556 -13.206 1.00 0.00 C ATOM 618 CG ASP A 43 13.389 -3.681 -12.829 1.00 0.00 C ATOM 619 OD1 ASP A 43 14.436 -3.396 -12.211 1.00 0.00 O ATOM 620 OD2 ASP A 43 13.079 -4.847 -13.151 1.00 0.00 O ATOM 0 H ASP A 43 11.032 -3.716 -11.450 1.00 0.00 H new ATOM 0 HA ASP A 43 12.625 -1.271 -11.494 1.00 0.00 H new ATOM 0 HB2 ASP A 43 11.639 -2.953 -13.823 1.00 0.00 H new ATOM 0 HB3 ASP A 43 12.980 -1.825 -13.812 1.00 0.00 H new ATOM 625 N MET A 44 9.615 -1.491 -12.855 1.00 0.00 N ATOM 626 CA MET A 44 8.472 -0.702 -13.297 1.00 0.00 C ATOM 627 C MET A 44 8.055 0.299 -12.225 1.00 0.00 C ATOM 628 O MET A 44 7.820 1.473 -12.513 1.00 0.00 O ATOM 629 CB MET A 44 7.295 -1.617 -13.642 1.00 0.00 C ATOM 630 CG MET A 44 6.098 -0.878 -14.218 1.00 0.00 C ATOM 631 SD MET A 44 5.037 -1.943 -15.213 1.00 0.00 S ATOM 632 CE MET A 44 3.416 -1.397 -14.683 1.00 0.00 C ATOM 0 H MET A 44 9.480 -2.500 -12.916 1.00 0.00 H new ATOM 0 HA MET A 44 8.767 -0.150 -14.189 1.00 0.00 H new ATOM 0 HB2 MET A 44 7.627 -2.368 -14.359 1.00 0.00 H new ATOM 0 HB3 MET A 44 6.984 -2.150 -12.743 1.00 0.00 H new ATOM 0 HG2 MET A 44 5.514 -0.449 -13.403 1.00 0.00 H new ATOM 0 HG3 MET A 44 6.449 -0.047 -14.830 1.00 0.00 H new ATOM 0 HE1 MET A 44 2.709 -1.505 -15.506 1.00 0.00 H new ATOM 0 HE2 MET A 44 3.086 -2.003 -13.839 1.00 0.00 H new ATOM 0 HE3 MET A 44 3.465 -0.351 -14.381 1.00 0.00 H new ATOM 642 N THR A 45 7.964 -0.172 -10.985 1.00 0.00 N ATOM 643 CA THR A 45 7.574 0.681 -9.869 1.00 0.00 C ATOM 644 C THR A 45 8.785 1.375 -9.258 1.00 0.00 C ATOM 645 O THR A 45 9.890 0.831 -9.260 1.00 0.00 O ATOM 646 CB THR A 45 6.849 -0.123 -8.773 1.00 0.00 C ATOM 647 OG1 THR A 45 7.554 -1.342 -8.513 1.00 0.00 O ATOM 648 CG2 THR A 45 5.420 -0.437 -9.189 1.00 0.00 C ATOM 0 H THR A 45 8.155 -1.140 -10.728 1.00 0.00 H new ATOM 0 HA THR A 45 6.892 1.432 -10.269 1.00 0.00 H new ATOM 0 HB THR A 45 6.823 0.482 -7.866 1.00 0.00 H new ATOM 0 HG1 THR A 45 6.966 -2.105 -8.693 1.00 0.00 H new ATOM 0 HG21 THR A 45 4.928 -1.005 -8.400 1.00 0.00 H new ATOM 0 HG22 THR A 45 4.878 0.493 -9.359 1.00 0.00 H new ATOM 0 HG23 THR A 45 5.429 -1.024 -10.107 1.00 0.00 H new ATOM 656 N ASP A 46 8.571 2.577 -8.735 1.00 0.00 N ATOM 657 CA ASP A 46 9.647 3.344 -8.117 1.00 0.00 C ATOM 658 C ASP A 46 9.199 3.930 -6.782 1.00 0.00 C ATOM 659 O ASP A 46 9.646 5.005 -6.383 1.00 0.00 O ATOM 660 CB ASP A 46 10.104 4.465 -9.052 1.00 0.00 C ATOM 661 CG ASP A 46 9.335 5.753 -8.831 1.00 0.00 C ATOM 662 OD1 ASP A 46 8.188 5.849 -9.315 1.00 0.00 O ATOM 663 OD2 ASP A 46 9.880 6.665 -8.175 1.00 0.00 O ATOM 0 H ASP A 46 7.663 3.041 -8.726 1.00 0.00 H new ATOM 0 HA ASP A 46 10.483 2.669 -7.935 1.00 0.00 H new ATOM 0 HB2 ASP A 46 11.167 4.650 -8.900 1.00 0.00 H new ATOM 0 HB3 ASP A 46 9.980 4.144 -10.086 1.00 0.00 H new ATOM 668 N SER A 47 8.313 3.216 -6.095 1.00 0.00 N ATOM 669 CA SER A 47 7.800 3.667 -4.807 1.00 0.00 C ATOM 670 C SER A 47 8.677 3.160 -3.666 1.00 0.00 C ATOM 671 O SER A 47 8.752 1.957 -3.412 1.00 0.00 O ATOM 672 CB SER A 47 6.361 3.188 -4.611 1.00 0.00 C ATOM 673 OG SER A 47 5.434 4.145 -5.094 1.00 0.00 O ATOM 0 H SER A 47 7.935 2.322 -6.409 1.00 0.00 H new ATOM 0 HA SER A 47 7.816 4.757 -4.798 1.00 0.00 H new ATOM 0 HB2 SER A 47 6.216 2.241 -5.132 1.00 0.00 H new ATOM 0 HB3 SER A 47 6.178 3.001 -3.553 1.00 0.00 H new ATOM 0 HG SER A 47 4.528 3.892 -4.818 1.00 0.00 H new ATOM 679 N LYS A 48 9.339 4.085 -2.980 1.00 0.00 N ATOM 680 CA LYS A 48 10.210 3.735 -1.865 1.00 0.00 C ATOM 681 C LYS A 48 9.412 3.105 -0.728 1.00 0.00 C ATOM 682 O LYS A 48 9.776 2.048 -0.214 1.00 0.00 O ATOM 683 CB LYS A 48 10.947 4.977 -1.358 1.00 0.00 C ATOM 684 CG LYS A 48 12.069 4.662 -0.383 1.00 0.00 C ATOM 685 CD LYS A 48 13.268 4.052 -1.091 1.00 0.00 C ATOM 686 CE LYS A 48 13.969 5.070 -1.977 1.00 0.00 C ATOM 687 NZ LYS A 48 15.259 4.548 -2.508 1.00 0.00 N ATOM 0 H LYS A 48 9.289 5.084 -3.177 1.00 0.00 H new ATOM 0 HA LYS A 48 10.939 3.007 -2.220 1.00 0.00 H new ATOM 0 HB2 LYS A 48 11.358 5.518 -2.210 1.00 0.00 H new ATOM 0 HB3 LYS A 48 10.232 5.641 -0.873 1.00 0.00 H new ATOM 0 HG2 LYS A 48 12.373 5.574 0.130 1.00 0.00 H new ATOM 0 HG3 LYS A 48 11.707 3.973 0.380 1.00 0.00 H new ATOM 0 HD2 LYS A 48 13.970 3.666 -0.352 1.00 0.00 H new ATOM 0 HD3 LYS A 48 12.943 3.205 -1.695 1.00 0.00 H new ATOM 0 HE2 LYS A 48 13.317 5.339 -2.808 1.00 0.00 H new ATOM 0 HE3 LYS A 48 14.153 5.981 -1.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 15.706 5.271 -3.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 15.892 4.315 -1.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 15.081 3.693 -3.072 1.00 0.00 H new ATOM 701 N ALA A 49 8.322 3.759 -0.342 1.00 0.00 N ATOM 702 CA ALA A 49 7.471 3.260 0.731 1.00 0.00 C ATOM 703 C ALA A 49 7.386 1.738 0.701 1.00 0.00 C ATOM 704 O ALA A 49 7.686 1.070 1.692 1.00 0.00 O ATOM 705 CB ALA A 49 6.081 3.871 0.629 1.00 0.00 C ATOM 0 H ALA A 49 8.007 4.636 -0.757 1.00 0.00 H new ATOM 0 HA ALA A 49 7.916 3.554 1.682 1.00 0.00 H new ATOM 0 HB1 ALA A 49 5.456 3.490 1.436 1.00 0.00 H new ATOM 0 HB2 ALA A 49 6.154 4.956 0.708 1.00 0.00 H new ATOM 0 HB3 ALA A 49 5.636 3.606 -0.330 1.00 0.00 H new ATOM 711 N LEU A 50 6.975 1.195 -0.440 1.00 0.00 N ATOM 712 CA LEU A 50 6.850 -0.249 -0.598 1.00 0.00 C ATOM 713 C LEU A 50 8.204 -0.883 -0.902 1.00 0.00 C ATOM 714 O LEU A 50 9.211 -0.189 -1.030 1.00 0.00 O ATOM 715 CB LEU A 50 5.858 -0.576 -1.716 1.00 0.00 C ATOM 716 CG LEU A 50 4.379 -0.399 -1.374 1.00 0.00 C ATOM 717 CD1 LEU A 50 3.591 0.015 -2.607 1.00 0.00 C ATOM 718 CD2 LEU A 50 3.811 -1.681 -0.782 1.00 0.00 C ATOM 0 H LEU A 50 6.723 1.733 -1.269 1.00 0.00 H new ATOM 0 HA LEU A 50 6.479 -0.661 0.340 1.00 0.00 H new ATOM 0 HB2 LEU A 50 6.089 0.053 -2.575 1.00 0.00 H new ATOM 0 HB3 LEU A 50 6.018 -1.609 -2.025 1.00 0.00 H new ATOM 0 HG LEU A 50 4.291 0.392 -0.629 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.540 0.136 -2.344 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.981 0.959 -2.988 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.686 -0.753 -3.375 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.757 -1.536 -0.545 1.00 0.00 H new ATOM 0 HD22 LEU A 50 3.912 -2.491 -1.504 1.00 0.00 H new ATOM 0 HD23 LEU A 50 4.356 -1.935 0.127 1.00 0.00 H new ATOM 730 N GLY A 51 8.218 -2.208 -1.019 1.00 0.00 N ATOM 731 CA GLY A 51 9.453 -2.913 -1.309 1.00 0.00 C ATOM 732 C GLY A 51 9.237 -4.113 -2.209 1.00 0.00 C ATOM 733 O GLY A 51 8.229 -4.814 -2.114 1.00 0.00 O ATOM 0 H GLY A 51 7.397 -2.805 -0.918 1.00 0.00 H new ATOM 0 HA2 GLY A 51 10.156 -2.228 -1.784 1.00 0.00 H new ATOM 0 HA3 GLY A 51 9.909 -3.241 -0.375 1.00 0.00 H new ATOM 737 N PRO A 52 10.200 -4.364 -3.109 1.00 0.00 N ATOM 738 CA PRO A 52 10.132 -5.487 -4.048 1.00 0.00 C ATOM 739 C PRO A 52 10.295 -6.835 -3.353 1.00 0.00 C ATOM 740 O PRO A 52 9.960 -7.877 -3.914 1.00 0.00 O ATOM 741 CB PRO A 52 11.306 -5.229 -4.996 1.00 0.00 C ATOM 742 CG PRO A 52 12.266 -4.417 -4.196 1.00 0.00 C ATOM 743 CD PRO A 52 11.428 -3.570 -3.278 1.00 0.00 C ATOM 0 HA PRO A 52 9.166 -5.541 -4.549 1.00 0.00 H new ATOM 0 HB2 PRO A 52 11.759 -6.163 -5.329 1.00 0.00 H new ATOM 0 HB3 PRO A 52 10.984 -4.694 -5.890 1.00 0.00 H new ATOM 0 HG2 PRO A 52 12.941 -5.058 -3.628 1.00 0.00 H new ATOM 0 HG3 PRO A 52 12.885 -3.796 -4.843 1.00 0.00 H new ATOM 0 HD2 PRO A 52 11.928 -3.395 -2.325 1.00 0.00 H new ATOM 0 HD3 PRO A 52 11.218 -2.593 -3.713 1.00 0.00 H new ATOM 751 N MET A 53 10.812 -6.805 -2.129 1.00 0.00 N ATOM 752 CA MET A 53 11.017 -8.025 -1.357 1.00 0.00 C ATOM 753 C MET A 53 9.888 -8.229 -0.352 1.00 0.00 C ATOM 754 O MET A 53 9.445 -9.354 -0.121 1.00 0.00 O ATOM 755 CB MET A 53 12.361 -7.973 -0.629 1.00 0.00 C ATOM 756 CG MET A 53 13.548 -8.306 -1.518 1.00 0.00 C ATOM 757 SD MET A 53 14.904 -9.073 -0.610 1.00 0.00 S ATOM 758 CE MET A 53 14.702 -10.788 -1.084 1.00 0.00 C ATOM 0 H MET A 53 11.096 -5.950 -1.651 1.00 0.00 H new ATOM 0 HA MET A 53 11.019 -8.867 -2.049 1.00 0.00 H new ATOM 0 HB2 MET A 53 12.500 -6.976 -0.210 1.00 0.00 H new ATOM 0 HB3 MET A 53 12.338 -8.670 0.209 1.00 0.00 H new ATOM 0 HG2 MET A 53 13.224 -8.977 -2.314 1.00 0.00 H new ATOM 0 HG3 MET A 53 13.906 -7.394 -1.996 1.00 0.00 H new ATOM 0 HE1 MET A 53 15.470 -11.392 -0.601 1.00 0.00 H new ATOM 0 HE2 MET A 53 13.717 -11.138 -0.774 1.00 0.00 H new ATOM 0 HE3 MET A 53 14.795 -10.880 -2.166 1.00 0.00 H new ATOM 768 N VAL A 54 9.427 -7.134 0.244 1.00 0.00 N ATOM 769 CA VAL A 54 8.349 -7.193 1.224 1.00 0.00 C ATOM 770 C VAL A 54 7.133 -7.919 0.660 1.00 0.00 C ATOM 771 O VAL A 54 6.805 -7.781 -0.518 1.00 0.00 O ATOM 772 CB VAL A 54 7.927 -5.783 1.679 1.00 0.00 C ATOM 773 CG1 VAL A 54 7.257 -5.032 0.539 1.00 0.00 C ATOM 774 CG2 VAL A 54 7.006 -5.868 2.887 1.00 0.00 C ATOM 0 H VAL A 54 9.783 -6.195 0.065 1.00 0.00 H new ATOM 0 HA VAL A 54 8.731 -7.745 2.083 1.00 0.00 H new ATOM 0 HB VAL A 54 8.821 -5.231 1.970 1.00 0.00 H new ATOM 0 HG11 VAL A 54 6.966 -4.038 0.879 1.00 0.00 H new ATOM 0 HG12 VAL A 54 7.953 -4.941 -0.295 1.00 0.00 H new ATOM 0 HG13 VAL A 54 6.371 -5.578 0.214 1.00 0.00 H new ATOM 0 HG21 VAL A 54 6.717 -4.863 3.196 1.00 0.00 H new ATOM 0 HG22 VAL A 54 6.114 -6.438 2.625 1.00 0.00 H new ATOM 0 HG23 VAL A 54 7.526 -6.364 3.707 1.00 0.00 H new ATOM 784 N VAL A 55 6.466 -8.693 1.511 1.00 0.00 N ATOM 785 CA VAL A 55 5.284 -9.440 1.098 1.00 0.00 C ATOM 786 C VAL A 55 4.254 -9.502 2.220 1.00 0.00 C ATOM 787 O VAL A 55 4.604 -9.644 3.391 1.00 0.00 O ATOM 788 CB VAL A 55 5.648 -10.874 0.670 1.00 0.00 C ATOM 789 CG1 VAL A 55 4.402 -11.637 0.246 1.00 0.00 C ATOM 790 CG2 VAL A 55 6.675 -10.851 -0.451 1.00 0.00 C ATOM 0 H VAL A 55 6.724 -8.819 2.490 1.00 0.00 H new ATOM 0 HA VAL A 55 4.857 -8.912 0.245 1.00 0.00 H new ATOM 0 HB VAL A 55 6.088 -11.389 1.524 1.00 0.00 H new ATOM 0 HG11 VAL A 55 4.679 -12.648 -0.053 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.703 -11.684 1.081 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.931 -11.126 -0.594 1.00 0.00 H new ATOM 0 HG21 VAL A 55 6.920 -11.873 -0.741 1.00 0.00 H new ATOM 0 HG22 VAL A 55 6.265 -10.319 -1.309 1.00 0.00 H new ATOM 0 HG23 VAL A 55 7.577 -10.345 -0.108 1.00 0.00 H new ATOM 800 N GLY A 56 2.980 -9.395 1.854 1.00 0.00 N ATOM 801 CA GLY A 56 1.918 -9.441 2.841 1.00 0.00 C ATOM 802 C GLY A 56 0.759 -10.315 2.405 1.00 0.00 C ATOM 803 O GLY A 56 0.673 -10.709 1.242 1.00 0.00 O ATOM 0 H GLY A 56 2.665 -9.277 0.891 1.00 0.00 H new ATOM 0 HA2 GLY A 56 2.318 -9.816 3.783 1.00 0.00 H new ATOM 0 HA3 GLY A 56 1.556 -8.430 3.028 1.00 0.00 H new ATOM 807 N ARG A 57 -0.135 -10.621 3.340 1.00 0.00 N ATOM 808 CA ARG A 57 -1.293 -11.457 3.047 1.00 0.00 C ATOM 809 C ARG A 57 -2.589 -10.674 3.234 1.00 0.00 C ATOM 810 O ARG A 57 -2.848 -10.130 4.308 1.00 0.00 O ATOM 811 CB ARG A 57 -1.296 -12.694 3.946 1.00 0.00 C ATOM 812 CG ARG A 57 -0.592 -13.894 3.334 1.00 0.00 C ATOM 813 CD ARG A 57 -0.843 -15.158 4.141 1.00 0.00 C ATOM 814 NE ARG A 57 -0.039 -16.280 3.664 1.00 0.00 N ATOM 815 CZ ARG A 57 -0.360 -17.553 3.868 1.00 0.00 C ATOM 816 NH1 ARG A 57 -1.462 -17.864 4.536 1.00 0.00 N ATOM 817 NH2 ARG A 57 0.422 -18.519 3.402 1.00 0.00 N ATOM 0 H ARG A 57 -0.079 -10.302 4.307 1.00 0.00 H new ATOM 0 HA ARG A 57 -1.228 -11.774 2.006 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -0.816 -12.446 4.893 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -2.327 -12.965 4.173 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -0.940 -14.039 2.311 1.00 0.00 H new ATOM 0 HG3 ARG A 57 0.480 -13.701 3.282 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -0.616 -14.969 5.190 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -1.900 -15.420 4.086 1.00 0.00 H new ATOM 0 HE ARG A 57 0.815 -16.075 3.146 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -2.066 -17.125 4.895 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -1.706 -18.842 4.691 1.00 0.00 H new ATOM 0 HH21 ARG A 57 1.270 -18.284 2.887 1.00 0.00 H new ATOM 0 HH22 ARG A 57 0.175 -19.496 3.559 1.00 0.00 H new ATOM 831 N LEU A 58 -3.400 -10.622 2.183 1.00 0.00 N ATOM 832 CA LEU A 58 -4.670 -9.906 2.231 1.00 0.00 C ATOM 833 C LEU A 58 -5.410 -10.196 3.533 1.00 0.00 C ATOM 834 O LEU A 58 -5.041 -11.102 4.282 1.00 0.00 O ATOM 835 CB LEU A 58 -5.543 -10.296 1.038 1.00 0.00 C ATOM 836 CG LEU A 58 -5.033 -9.863 -0.337 1.00 0.00 C ATOM 837 CD1 LEU A 58 -5.371 -10.910 -1.387 1.00 0.00 C ATOM 838 CD2 LEU A 58 -5.619 -8.512 -0.722 1.00 0.00 C ATOM 0 H LEU A 58 -3.201 -11.067 1.287 1.00 0.00 H new ATOM 0 HA LEU A 58 -4.458 -8.838 2.185 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -5.657 -11.380 1.036 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -6.536 -9.871 1.185 1.00 0.00 H new ATOM 0 HG LEU A 58 -3.949 -9.766 -0.286 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -5.000 -10.584 -2.359 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -4.904 -11.858 -1.120 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -6.452 -11.040 -1.436 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -5.245 -8.220 -1.703 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -6.706 -8.583 -0.754 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -5.326 -7.765 0.015 1.00 0.00 H new ATOM 850 N THR A 59 -6.458 -9.422 3.798 1.00 0.00 N ATOM 851 CA THR A 59 -7.250 -9.596 5.008 1.00 0.00 C ATOM 852 C THR A 59 -8.616 -10.193 4.690 1.00 0.00 C ATOM 853 O THR A 59 -9.503 -10.230 5.543 1.00 0.00 O ATOM 854 CB THR A 59 -7.447 -8.259 5.748 1.00 0.00 C ATOM 855 OG1 THR A 59 -8.025 -7.291 4.866 1.00 0.00 O ATOM 856 CG2 THR A 59 -6.122 -7.737 6.284 1.00 0.00 C ATOM 0 H THR A 59 -6.778 -8.668 3.190 1.00 0.00 H new ATOM 0 HA THR A 59 -6.698 -10.281 5.651 1.00 0.00 H new ATOM 0 HB THR A 59 -8.119 -8.430 6.589 1.00 0.00 H new ATOM 0 HG1 THR A 59 -8.148 -6.445 5.345 1.00 0.00 H new ATOM 0 HG21 THR A 59 -6.286 -6.792 6.802 1.00 0.00 H new ATOM 0 HG22 THR A 59 -5.699 -8.463 6.978 1.00 0.00 H new ATOM 0 HG23 THR A 59 -5.431 -7.581 5.456 1.00 0.00 H new ATOM 864 N LYS A 60 -8.780 -10.659 3.457 1.00 0.00 N ATOM 865 CA LYS A 60 -10.038 -11.257 3.025 1.00 0.00 C ATOM 866 C LYS A 60 -9.843 -12.722 2.648 1.00 0.00 C ATOM 867 O LYS A 60 -10.276 -13.623 3.368 1.00 0.00 O ATOM 868 CB LYS A 60 -10.611 -10.485 1.835 1.00 0.00 C ATOM 869 CG LYS A 60 -11.460 -9.291 2.237 1.00 0.00 C ATOM 870 CD LYS A 60 -12.321 -8.806 1.083 1.00 0.00 C ATOM 871 CE LYS A 60 -13.446 -7.904 1.568 1.00 0.00 C ATOM 872 NZ LYS A 60 -14.096 -7.175 0.444 1.00 0.00 N ATOM 0 H LYS A 60 -8.057 -10.634 2.738 1.00 0.00 H new ATOM 0 HA LYS A 60 -10.741 -11.205 3.857 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -9.790 -10.141 1.206 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -11.214 -11.162 1.230 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -12.097 -9.563 3.078 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -10.814 -8.481 2.576 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -11.702 -8.265 0.368 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -12.741 -9.663 0.556 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -14.191 -8.503 2.092 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -13.051 -7.186 2.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -14.090 -6.154 0.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -13.575 -7.360 -0.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -15.078 -7.502 0.340 1.00 0.00 H new ATOM 886 N CYS A 61 -9.187 -12.955 1.516 1.00 0.00 N ATOM 887 CA CYS A 61 -8.933 -14.310 1.043 1.00 0.00 C ATOM 888 C CYS A 61 -7.608 -14.836 1.586 1.00 0.00 C ATOM 889 O CYS A 61 -7.244 -15.989 1.354 1.00 0.00 O ATOM 890 CB CYS A 61 -8.920 -14.345 -0.487 1.00 0.00 C ATOM 891 SG CYS A 61 -7.979 -12.987 -1.254 1.00 0.00 S ATOM 0 H CYS A 61 -8.821 -12.222 0.909 1.00 0.00 H new ATOM 0 HA CYS A 61 -9.735 -14.952 1.407 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -8.498 -15.295 -0.814 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -9.947 -14.311 -0.849 1.00 0.00 H new ATOM 0 HG CYS A 61 -8.209 -12.968 -2.533 1.00 0.00 H new ATOM 896 N SER A 62 -6.890 -13.983 2.309 1.00 0.00 N ATOM 897 CA SER A 62 -5.604 -14.360 2.883 1.00 0.00 C ATOM 898 C SER A 62 -4.666 -14.897 1.806 1.00 0.00 C ATOM 899 O SER A 62 -4.105 -15.985 1.941 1.00 0.00 O ATOM 900 CB SER A 62 -5.797 -15.411 3.977 1.00 0.00 C ATOM 901 OG SER A 62 -6.642 -14.926 5.006 1.00 0.00 O ATOM 0 H SER A 62 -7.177 -13.025 2.511 1.00 0.00 H new ATOM 0 HA SER A 62 -5.155 -13.469 3.322 1.00 0.00 H new ATOM 0 HB2 SER A 62 -6.226 -16.315 3.545 1.00 0.00 H new ATOM 0 HB3 SER A 62 -4.829 -15.686 4.396 1.00 0.00 H new ATOM 0 HG SER A 62 -6.751 -15.617 5.692 1.00 0.00 H new ATOM 907 N HIS A 63 -4.501 -14.126 0.735 1.00 0.00 N ATOM 908 CA HIS A 63 -3.630 -14.524 -0.366 1.00 0.00 C ATOM 909 C HIS A 63 -2.382 -13.647 -0.415 1.00 0.00 C ATOM 910 O HIS A 63 -2.459 -12.457 -0.718 1.00 0.00 O ATOM 911 CB HIS A 63 -4.382 -14.437 -1.694 1.00 0.00 C ATOM 912 CG HIS A 63 -5.355 -15.555 -1.906 1.00 0.00 C ATOM 913 ND1 HIS A 63 -5.786 -16.525 -1.066 1.00 0.00 N flip ATOM 914 CD2 HIS A 63 -6.007 -15.769 -3.102 1.00 0.00 C flip ATOM 915 CE1 HIS A 63 -6.681 -17.299 -1.763 1.00 0.00 C flip ATOM 916 NE2 HIS A 63 -6.798 -16.821 -2.989 1.00 0.00 N flip ATOM 0 H HIS A 63 -4.958 -13.223 0.606 1.00 0.00 H new ATOM 0 HA HIS A 63 -3.321 -15.556 -0.199 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -4.917 -13.488 -1.738 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -3.661 -14.434 -2.511 1.00 0.00 H new ATOM 0 HD1 HIS A 63 -5.499 -16.657 -0.096 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -5.889 -15.170 -3.993 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -7.204 -18.159 -1.372 1.00 0.00 H new ATOM 924 N ALA A 64 -1.234 -14.244 -0.114 1.00 0.00 N ATOM 925 CA ALA A 64 0.030 -13.519 -0.126 1.00 0.00 C ATOM 926 C ALA A 64 0.300 -12.907 -1.496 1.00 0.00 C ATOM 927 O ALA A 64 0.014 -13.517 -2.527 1.00 0.00 O ATOM 928 CB ALA A 64 1.172 -14.441 0.276 1.00 0.00 C ATOM 0 H ALA A 64 -1.153 -15.228 0.141 1.00 0.00 H new ATOM 0 HA ALA A 64 -0.040 -12.707 0.598 1.00 0.00 H new ATOM 0 HB1 ALA A 64 2.110 -13.886 0.263 1.00 0.00 H new ATOM 0 HB2 ALA A 64 0.993 -14.826 1.280 1.00 0.00 H new ATOM 0 HB3 ALA A 64 1.233 -15.273 -0.426 1.00 0.00 H new ATOM 934 N PHE A 65 0.851 -11.698 -1.501 1.00 0.00 N ATOM 935 CA PHE A 65 1.158 -11.003 -2.746 1.00 0.00 C ATOM 936 C PHE A 65 2.193 -9.905 -2.515 1.00 0.00 C ATOM 937 O PHE A 65 2.234 -9.289 -1.450 1.00 0.00 O ATOM 938 CB PHE A 65 -0.115 -10.401 -3.346 1.00 0.00 C ATOM 939 CG PHE A 65 -0.840 -11.335 -4.273 1.00 0.00 C ATOM 940 CD1 PHE A 65 -0.272 -11.713 -5.479 1.00 0.00 C ATOM 941 CD2 PHE A 65 -2.089 -11.833 -3.938 1.00 0.00 C ATOM 942 CE1 PHE A 65 -0.936 -12.573 -6.334 1.00 0.00 C ATOM 943 CE2 PHE A 65 -2.757 -12.693 -4.789 1.00 0.00 C ATOM 944 CZ PHE A 65 -2.181 -13.062 -5.989 1.00 0.00 C ATOM 0 H PHE A 65 1.094 -11.179 -0.657 1.00 0.00 H new ATOM 0 HA PHE A 65 1.573 -11.729 -3.445 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -0.786 -10.111 -2.538 1.00 0.00 H new ATOM 0 HB3 PHE A 65 0.143 -9.491 -3.888 1.00 0.00 H new ATOM 0 HD1 PHE A 65 0.700 -11.332 -5.754 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -2.545 -11.546 -3.002 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -0.482 -12.862 -7.270 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -3.729 -13.076 -4.516 1.00 0.00 H new ATOM 0 HZ PHE A 65 -2.703 -13.732 -6.656 1.00 0.00 H new ATOM 954 N HIS A 66 3.027 -9.666 -3.522 1.00 0.00 N ATOM 955 CA HIS A 66 4.063 -8.642 -3.430 1.00 0.00 C ATOM 956 C HIS A 66 3.444 -7.255 -3.286 1.00 0.00 C ATOM 957 O HIS A 66 3.009 -6.653 -4.268 1.00 0.00 O ATOM 958 CB HIS A 66 4.964 -8.686 -4.664 1.00 0.00 C ATOM 959 CG HIS A 66 5.889 -9.864 -4.689 1.00 0.00 C ATOM 960 ND1 HIS A 66 5.639 -11.002 -5.426 1.00 0.00 N ATOM 961 CD2 HIS A 66 7.070 -10.074 -4.063 1.00 0.00 C ATOM 962 CE1 HIS A 66 6.626 -11.863 -5.251 1.00 0.00 C ATOM 963 NE2 HIS A 66 7.507 -11.324 -4.428 1.00 0.00 N ATOM 0 H HIS A 66 3.006 -10.167 -4.410 1.00 0.00 H new ATOM 0 HA HIS A 66 4.664 -8.846 -2.544 1.00 0.00 H new ATOM 0 HB2 HIS A 66 4.341 -8.705 -5.558 1.00 0.00 H new ATOM 0 HB3 HIS A 66 5.554 -7.770 -4.706 1.00 0.00 H new ATOM 0 HD1 HIS A 66 4.820 -11.155 -6.014 1.00 0.00 H new ATOM 0 HD2 HIS A 66 7.575 -9.387 -3.400 1.00 0.00 H new ATOM 0 HE1 HIS A 66 6.700 -12.841 -5.704 1.00 0.00 H new ATOM 971 N LEU A 67 3.408 -6.754 -2.056 1.00 0.00 N ATOM 972 CA LEU A 67 2.842 -5.437 -1.783 1.00 0.00 C ATOM 973 C LEU A 67 3.199 -4.451 -2.890 1.00 0.00 C ATOM 974 O LEU A 67 2.481 -3.478 -3.124 1.00 0.00 O ATOM 975 CB LEU A 67 3.344 -4.914 -0.436 1.00 0.00 C ATOM 976 CG LEU A 67 3.155 -5.848 0.760 1.00 0.00 C ATOM 977 CD1 LEU A 67 3.730 -5.223 2.021 1.00 0.00 C ATOM 978 CD2 LEU A 67 1.682 -6.180 0.950 1.00 0.00 C ATOM 0 H LEU A 67 3.764 -7.239 -1.232 1.00 0.00 H new ATOM 0 HA LEU A 67 1.757 -5.535 -1.746 1.00 0.00 H new ATOM 0 HB2 LEU A 67 4.406 -4.687 -0.530 1.00 0.00 H new ATOM 0 HB3 LEU A 67 2.835 -3.974 -0.221 1.00 0.00 H new ATOM 0 HG LEU A 67 3.693 -6.775 0.561 1.00 0.00 H new ATOM 0 HD11 LEU A 67 3.586 -5.902 2.862 1.00 0.00 H new ATOM 0 HD12 LEU A 67 4.795 -5.038 1.882 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.221 -4.281 2.225 1.00 0.00 H new ATOM 0 HD21 LEU A 67 1.566 -6.846 1.805 1.00 0.00 H new ATOM 0 HD22 LEU A 67 1.122 -5.262 1.126 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.301 -6.671 0.054 1.00 0.00 H new ATOM 990 N LEU A 68 4.311 -4.709 -3.569 1.00 0.00 N ATOM 991 CA LEU A 68 4.763 -3.845 -4.654 1.00 0.00 C ATOM 992 C LEU A 68 4.009 -4.151 -5.944 1.00 0.00 C ATOM 993 O LEU A 68 3.514 -3.246 -6.617 1.00 0.00 O ATOM 994 CB LEU A 68 6.267 -4.016 -4.876 1.00 0.00 C ATOM 995 CG LEU A 68 6.938 -2.968 -5.765 1.00 0.00 C ATOM 996 CD1 LEU A 68 7.157 -1.676 -4.994 1.00 0.00 C ATOM 997 CD2 LEU A 68 8.256 -3.497 -6.310 1.00 0.00 C ATOM 0 H LEU A 68 4.916 -5.510 -3.388 1.00 0.00 H new ATOM 0 HA LEU A 68 4.559 -2.812 -4.372 1.00 0.00 H new ATOM 0 HB2 LEU A 68 6.761 -4.009 -3.904 1.00 0.00 H new ATOM 0 HB3 LEU A 68 6.440 -4.999 -5.314 1.00 0.00 H new ATOM 0 HG LEU A 68 6.279 -2.757 -6.607 1.00 0.00 H new ATOM 0 HD11 LEU A 68 7.635 -0.942 -5.642 1.00 0.00 H new ATOM 0 HD12 LEU A 68 6.197 -1.288 -4.653 1.00 0.00 H new ATOM 0 HD13 LEU A 68 7.796 -1.870 -4.133 1.00 0.00 H new ATOM 0 HD21 LEU A 68 8.720 -2.738 -6.940 1.00 0.00 H new ATOM 0 HD22 LEU A 68 8.922 -3.737 -5.481 1.00 0.00 H new ATOM 0 HD23 LEU A 68 8.072 -4.395 -6.899 1.00 0.00 H new ATOM 1009 N CYS A 69 3.924 -5.433 -6.284 1.00 0.00 N ATOM 1010 CA CYS A 69 3.229 -5.861 -7.492 1.00 0.00 C ATOM 1011 C CYS A 69 1.797 -5.336 -7.510 1.00 0.00 C ATOM 1012 O CYS A 69 1.336 -4.789 -8.513 1.00 0.00 O ATOM 1013 CB CYS A 69 3.227 -7.388 -7.591 1.00 0.00 C ATOM 1014 SG CYS A 69 4.835 -8.105 -8.055 1.00 0.00 S ATOM 0 H CYS A 69 4.329 -6.194 -5.739 1.00 0.00 H new ATOM 0 HA CYS A 69 3.758 -5.450 -8.351 1.00 0.00 H new ATOM 0 HB2 CYS A 69 2.920 -7.803 -6.631 1.00 0.00 H new ATOM 0 HB3 CYS A 69 2.480 -7.693 -8.324 1.00 0.00 H new ATOM 0 HG CYS A 69 5.030 -7.944 -9.330 1.00 0.00 H new ATOM 1019 N LEU A 70 1.097 -5.506 -6.394 1.00 0.00 N ATOM 1020 CA LEU A 70 -0.284 -5.050 -6.280 1.00 0.00 C ATOM 1021 C LEU A 70 -0.399 -3.569 -6.629 1.00 0.00 C ATOM 1022 O LEU A 70 -1.255 -3.172 -7.420 1.00 0.00 O ATOM 1023 CB LEU A 70 -0.808 -5.294 -4.863 1.00 0.00 C ATOM 1024 CG LEU A 70 -1.009 -6.756 -4.464 1.00 0.00 C ATOM 1025 CD1 LEU A 70 -1.046 -6.896 -2.951 1.00 0.00 C ATOM 1026 CD2 LEU A 70 -2.284 -7.307 -5.084 1.00 0.00 C ATOM 0 H LEU A 70 1.463 -5.956 -5.555 1.00 0.00 H new ATOM 0 HA LEU A 70 -0.888 -5.619 -6.987 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -0.114 -4.838 -4.157 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -1.760 -4.775 -4.755 1.00 0.00 H new ATOM 0 HG LEU A 70 -0.166 -7.335 -4.841 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -1.190 -7.943 -2.686 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -0.106 -6.541 -2.530 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -1.869 -6.304 -2.551 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -2.411 -8.349 -4.789 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -3.138 -6.725 -4.737 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -2.218 -7.243 -6.170 1.00 0.00 H new ATOM 1038 N LEU A 71 0.469 -2.758 -6.036 1.00 0.00 N ATOM 1039 CA LEU A 71 0.467 -1.321 -6.285 1.00 0.00 C ATOM 1040 C LEU A 71 0.495 -1.028 -7.782 1.00 0.00 C ATOM 1041 O LEU A 71 -0.309 -0.245 -8.286 1.00 0.00 O ATOM 1042 CB LEU A 71 1.668 -0.663 -5.604 1.00 0.00 C ATOM 1043 CG LEU A 71 1.770 0.856 -5.742 1.00 0.00 C ATOM 1044 CD1 LEU A 71 0.896 1.546 -4.706 1.00 0.00 C ATOM 1045 CD2 LEU A 71 3.217 1.309 -5.608 1.00 0.00 C ATOM 0 H LEU A 71 1.184 -3.071 -5.379 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.451 -0.907 -5.868 1.00 0.00 H new ATOM 0 HB2 LEU A 71 1.638 -0.910 -4.543 1.00 0.00 H new ATOM 0 HB3 LEU A 71 2.578 -1.106 -6.009 1.00 0.00 H new ATOM 0 HG LEU A 71 1.413 1.136 -6.733 1.00 0.00 H new ATOM 0 HD11 LEU A 71 0.981 2.627 -4.820 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -0.142 1.247 -4.849 1.00 0.00 H new ATOM 0 HD13 LEU A 71 1.222 1.259 -3.706 1.00 0.00 H new ATOM 0 HD21 LEU A 71 3.270 2.393 -5.709 1.00 0.00 H new ATOM 0 HD22 LEU A 71 3.601 1.017 -4.631 1.00 0.00 H new ATOM 0 HD23 LEU A 71 3.818 0.842 -6.388 1.00 0.00 H new ATOM 1057 N ALA A 72 1.424 -1.664 -8.487 1.00 0.00 N ATOM 1058 CA ALA A 72 1.554 -1.476 -9.927 1.00 0.00 C ATOM 1059 C ALA A 72 0.240 -1.778 -10.640 1.00 0.00 C ATOM 1060 O ALA A 72 -0.243 -0.975 -11.438 1.00 0.00 O ATOM 1061 CB ALA A 72 2.669 -2.353 -10.476 1.00 0.00 C ATOM 0 H ALA A 72 2.099 -2.315 -8.084 1.00 0.00 H new ATOM 0 HA ALA A 72 1.806 -0.432 -10.111 1.00 0.00 H new ATOM 0 HB1 ALA A 72 2.754 -2.202 -11.552 1.00 0.00 H new ATOM 0 HB2 ALA A 72 3.611 -2.087 -9.996 1.00 0.00 H new ATOM 0 HB3 ALA A 72 2.442 -3.400 -10.273 1.00 0.00 H new ATOM 1067 N MET A 73 -0.332 -2.941 -10.348 1.00 0.00 N ATOM 1068 CA MET A 73 -1.591 -3.348 -10.962 1.00 0.00 C ATOM 1069 C MET A 73 -2.679 -2.310 -10.712 1.00 0.00 C ATOM 1070 O MET A 73 -3.399 -1.916 -11.630 1.00 0.00 O ATOM 1071 CB MET A 73 -2.032 -4.708 -10.418 1.00 0.00 C ATOM 1072 CG MET A 73 -3.039 -5.421 -11.306 1.00 0.00 C ATOM 1073 SD MET A 73 -4.745 -5.016 -10.885 1.00 0.00 S ATOM 1074 CE MET A 73 -4.905 -5.833 -9.299 1.00 0.00 C ATOM 0 H MET A 73 0.055 -3.618 -9.691 1.00 0.00 H new ATOM 0 HA MET A 73 -1.432 -3.429 -12.037 1.00 0.00 H new ATOM 0 HB2 MET A 73 -1.154 -5.343 -10.296 1.00 0.00 H new ATOM 0 HB3 MET A 73 -2.467 -4.570 -9.428 1.00 0.00 H new ATOM 0 HG2 MET A 73 -2.853 -5.155 -12.346 1.00 0.00 H new ATOM 0 HG3 MET A 73 -2.894 -6.498 -11.221 1.00 0.00 H new ATOM 0 HE1 MET A 73 -5.843 -6.388 -9.269 1.00 0.00 H new ATOM 0 HE2 MET A 73 -4.071 -6.521 -9.158 1.00 0.00 H new ATOM 0 HE3 MET A 73 -4.899 -5.088 -8.504 1.00 0.00 H new ATOM 1084 N TYR A 74 -2.795 -1.870 -9.463 1.00 0.00 N ATOM 1085 CA TYR A 74 -3.798 -0.879 -9.092 1.00 0.00 C ATOM 1086 C TYR A 74 -3.574 0.430 -9.842 1.00 0.00 C ATOM 1087 O TYR A 74 -4.512 1.015 -10.386 1.00 0.00 O ATOM 1088 CB TYR A 74 -3.763 -0.628 -7.583 1.00 0.00 C ATOM 1089 CG TYR A 74 -4.502 0.622 -7.160 1.00 0.00 C ATOM 1090 CD1 TYR A 74 -3.879 1.864 -7.188 1.00 0.00 C ATOM 1091 CD2 TYR A 74 -5.823 0.560 -6.734 1.00 0.00 C ATOM 1092 CE1 TYR A 74 -4.550 3.007 -6.802 1.00 0.00 C ATOM 1093 CE2 TYR A 74 -6.502 1.699 -6.347 1.00 0.00 C ATOM 1094 CZ TYR A 74 -5.861 2.920 -6.382 1.00 0.00 C ATOM 1095 OH TYR A 74 -6.534 4.058 -5.997 1.00 0.00 O ATOM 0 H TYR A 74 -2.207 -2.184 -8.691 1.00 0.00 H new ATOM 0 HA TYR A 74 -4.778 -1.270 -9.366 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -4.196 -1.487 -7.070 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -2.725 -0.553 -7.259 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -2.853 1.936 -7.517 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -6.327 -0.395 -6.705 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -4.051 3.964 -6.829 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -7.529 1.634 -6.019 1.00 0.00 H new ATOM 0 HH TYR A 74 -7.447 3.823 -5.731 1.00 0.00 H new ATOM 1105 N CYS A 75 -2.326 0.884 -9.867 1.00 0.00 N ATOM 1106 CA CYS A 75 -1.977 2.125 -10.550 1.00 0.00 C ATOM 1107 C CYS A 75 -2.466 2.106 -11.995 1.00 0.00 C ATOM 1108 O CYS A 75 -3.205 2.993 -12.421 1.00 0.00 O ATOM 1109 CB CYS A 75 -0.463 2.342 -10.515 1.00 0.00 C ATOM 1110 SG CYS A 75 0.058 3.993 -11.036 1.00 0.00 S ATOM 0 H CYS A 75 -1.539 0.412 -9.422 1.00 0.00 H new ATOM 0 HA CYS A 75 -2.467 2.948 -10.030 1.00 0.00 H new ATOM 0 HB2 CYS A 75 -0.104 2.162 -9.501 1.00 0.00 H new ATOM 0 HB3 CYS A 75 0.014 1.602 -11.158 1.00 0.00 H new ATOM 0 HG CYS A 75 1.353 4.080 -10.971 1.00 0.00 H new ATOM 1185 N GLY A 81 -9.999 4.027 -5.472 1.00 0.00 N ATOM 1186 CA GLY A 81 -10.069 3.584 -4.092 1.00 0.00 C ATOM 1187 C GLY A 81 -10.624 2.179 -3.961 1.00 0.00 C ATOM 1188 O GLY A 81 -11.724 1.985 -3.444 1.00 0.00 O ATOM 0 HA2 GLY A 81 -9.073 3.620 -3.651 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -10.694 4.273 -3.524 1.00 0.00 H new ATOM 1192 N SER A 82 -9.862 1.197 -4.432 1.00 0.00 N ATOM 1193 CA SER A 82 -10.287 -0.196 -4.370 1.00 0.00 C ATOM 1194 C SER A 82 -9.181 -1.124 -4.865 1.00 0.00 C ATOM 1195 O SER A 82 -8.453 -0.796 -5.803 1.00 0.00 O ATOM 1196 CB SER A 82 -11.553 -0.403 -5.203 1.00 0.00 C ATOM 1197 OG SER A 82 -11.791 -1.781 -5.436 1.00 0.00 O ATOM 0 H SER A 82 -8.948 1.341 -4.861 1.00 0.00 H new ATOM 0 HA SER A 82 -10.502 -0.438 -3.329 1.00 0.00 H new ATOM 0 HB2 SER A 82 -12.407 0.035 -4.687 1.00 0.00 H new ATOM 0 HB3 SER A 82 -11.455 0.118 -6.155 1.00 0.00 H new ATOM 0 HG SER A 82 -12.607 -1.887 -5.969 1.00 0.00 H new ATOM 1203 N LEU A 83 -9.061 -2.283 -4.228 1.00 0.00 N ATOM 1204 CA LEU A 83 -8.044 -3.260 -4.603 1.00 0.00 C ATOM 1205 C LEU A 83 -8.660 -4.644 -4.786 1.00 0.00 C ATOM 1206 O LEU A 83 -9.233 -5.206 -3.853 1.00 0.00 O ATOM 1207 CB LEU A 83 -6.945 -3.314 -3.540 1.00 0.00 C ATOM 1208 CG LEU A 83 -5.618 -3.933 -3.979 1.00 0.00 C ATOM 1209 CD1 LEU A 83 -5.824 -5.367 -4.442 1.00 0.00 C ATOM 1210 CD2 LEU A 83 -4.980 -3.101 -5.082 1.00 0.00 C ATOM 0 H LEU A 83 -9.655 -2.570 -3.450 1.00 0.00 H new ATOM 0 HA LEU A 83 -7.608 -2.949 -5.552 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -6.752 -2.299 -3.193 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -7.321 -3.877 -2.686 1.00 0.00 H new ATOM 0 HG LEU A 83 -4.944 -3.943 -3.123 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -4.868 -5.791 -4.750 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -6.236 -5.958 -3.624 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -6.516 -5.382 -5.284 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -4.036 -3.557 -5.382 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -5.651 -3.058 -5.940 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -4.795 -2.091 -4.715 1.00 0.00 H new ATOM 1222 N GLN A 84 -8.535 -5.187 -5.992 1.00 0.00 N ATOM 1223 CA GLN A 84 -9.078 -6.505 -6.296 1.00 0.00 C ATOM 1224 C GLN A 84 -7.959 -7.527 -6.473 1.00 0.00 C ATOM 1225 O GLN A 84 -6.960 -7.260 -7.142 1.00 0.00 O ATOM 1226 CB GLN A 84 -9.937 -6.448 -7.560 1.00 0.00 C ATOM 1227 CG GLN A 84 -10.921 -7.600 -7.680 1.00 0.00 C ATOM 1228 CD GLN A 84 -11.888 -7.424 -8.835 1.00 0.00 C ATOM 1229 OE1 GLN A 84 -11.793 -6.462 -9.598 1.00 0.00 O ATOM 1230 NE2 GLN A 84 -12.826 -8.354 -8.969 1.00 0.00 N ATOM 0 H GLN A 84 -8.062 -4.735 -6.775 1.00 0.00 H new ATOM 0 HA GLN A 84 -9.700 -6.816 -5.457 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -10.488 -5.508 -7.572 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -9.284 -6.446 -8.433 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -10.370 -8.531 -7.811 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -11.484 -7.691 -6.751 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -12.868 -9.134 -8.314 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -13.505 -8.288 -9.727 1.00 0.00 H new ATOM 1239 N CYS A 85 -8.133 -8.698 -5.870 1.00 0.00 N ATOM 1240 CA CYS A 85 -7.139 -9.760 -5.959 1.00 0.00 C ATOM 1241 C CYS A 85 -6.963 -10.220 -7.404 1.00 0.00 C ATOM 1242 O CYS A 85 -7.921 -10.583 -8.087 1.00 0.00 O ATOM 1243 CB CYS A 85 -7.547 -10.945 -5.082 1.00 0.00 C ATOM 1244 SG CYS A 85 -6.194 -12.113 -4.733 1.00 0.00 S ATOM 0 H CYS A 85 -8.954 -8.935 -5.314 1.00 0.00 H new ATOM 0 HA CYS A 85 -6.188 -9.364 -5.603 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -7.938 -10.566 -4.138 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -8.359 -11.482 -5.571 1.00 0.00 H new ATOM 0 HG CYS A 85 -6.030 -12.904 -5.751 1.00 0.00 H new ATOM 1249 N PRO A 86 -5.710 -10.205 -7.881 1.00 0.00 N ATOM 1250 CA PRO A 86 -5.378 -10.618 -9.248 1.00 0.00 C ATOM 1251 C PRO A 86 -5.543 -12.119 -9.456 1.00 0.00 C ATOM 1252 O PRO A 86 -5.245 -12.643 -10.529 1.00 0.00 O ATOM 1253 CB PRO A 86 -3.908 -10.217 -9.393 1.00 0.00 C ATOM 1254 CG PRO A 86 -3.377 -10.214 -8.001 1.00 0.00 C ATOM 1255 CD PRO A 86 -4.520 -9.784 -7.123 1.00 0.00 C ATOM 0 HA PRO A 86 -6.035 -10.155 -9.984 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -3.365 -10.923 -10.022 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -3.809 -9.235 -9.856 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -3.018 -11.204 -7.718 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -2.534 -9.530 -7.906 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -4.477 -10.262 -6.144 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -4.513 -8.707 -6.952 1.00 0.00 H new ATOM 1263 N SER A 87 -6.020 -12.806 -8.423 1.00 0.00 N ATOM 1264 CA SER A 87 -6.222 -14.249 -8.492 1.00 0.00 C ATOM 1265 C SER A 87 -7.691 -14.603 -8.277 1.00 0.00 C ATOM 1266 O SER A 87 -8.407 -14.932 -9.223 1.00 0.00 O ATOM 1267 CB SER A 87 -5.357 -14.957 -7.448 1.00 0.00 C ATOM 1268 OG SER A 87 -5.058 -14.095 -6.364 1.00 0.00 O ATOM 0 H SER A 87 -6.274 -12.387 -7.528 1.00 0.00 H new ATOM 0 HA SER A 87 -5.927 -14.585 -9.486 1.00 0.00 H new ATOM 0 HB2 SER A 87 -5.876 -15.842 -7.080 1.00 0.00 H new ATOM 0 HB3 SER A 87 -4.431 -15.300 -7.910 1.00 0.00 H new ATOM 0 HG SER A 87 -4.088 -13.971 -6.302 1.00 0.00 H new ATOM 1274 N CYS A 88 -8.132 -14.533 -7.026 1.00 0.00 N ATOM 1275 CA CYS A 88 -9.514 -14.845 -6.683 1.00 0.00 C ATOM 1276 C CYS A 88 -10.461 -13.766 -7.201 1.00 0.00 C ATOM 1277 O CYS A 88 -11.679 -13.941 -7.202 1.00 0.00 O ATOM 1278 CB CYS A 88 -9.667 -14.988 -5.168 1.00 0.00 C ATOM 1279 SG CYS A 88 -9.129 -13.525 -4.225 1.00 0.00 S ATOM 0 H CYS A 88 -7.552 -14.263 -6.232 1.00 0.00 H new ATOM 0 HA CYS A 88 -9.774 -15.791 -7.158 1.00 0.00 H new ATOM 0 HB2 CYS A 88 -10.713 -15.192 -4.937 1.00 0.00 H new ATOM 0 HB3 CYS A 88 -9.093 -15.853 -4.836 1.00 0.00 H new ATOM 0 HG CYS A 88 -7.866 -13.309 -4.442 1.00 0.00 H new ATOM 1284 N LYS A 89 -9.891 -12.649 -7.641 1.00 0.00 N ATOM 1285 CA LYS A 89 -10.682 -11.541 -8.163 1.00 0.00 C ATOM 1286 C LYS A 89 -11.705 -11.071 -7.135 1.00 0.00 C ATOM 1287 O LYS A 89 -12.902 -11.006 -7.419 1.00 0.00 O ATOM 1288 CB LYS A 89 -11.393 -11.957 -9.453 1.00 0.00 C ATOM 1289 CG LYS A 89 -10.445 -12.396 -10.555 1.00 0.00 C ATOM 1290 CD LYS A 89 -9.779 -11.206 -11.225 1.00 0.00 C ATOM 1291 CE LYS A 89 -9.067 -11.613 -12.506 1.00 0.00 C ATOM 1292 NZ LYS A 89 -10.026 -12.045 -13.560 1.00 0.00 N ATOM 0 H LYS A 89 -8.884 -12.487 -7.646 1.00 0.00 H new ATOM 0 HA LYS A 89 -10.005 -10.715 -8.379 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -12.082 -12.772 -9.232 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -11.993 -11.121 -9.813 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -9.682 -13.054 -10.139 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -10.993 -12.974 -11.299 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -10.529 -10.447 -11.450 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -9.064 -10.754 -10.538 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -8.475 -10.775 -12.875 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -8.372 -12.425 -12.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -9.561 -12.005 -14.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -10.335 -13.019 -13.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -10.852 -11.413 -13.558 1.00 0.00 H new ATOM 1306 N THR A 90 -11.228 -10.741 -5.938 1.00 0.00 N ATOM 1307 CA THR A 90 -12.101 -10.277 -4.868 1.00 0.00 C ATOM 1308 C THR A 90 -11.903 -8.789 -4.604 1.00 0.00 C ATOM 1309 O THR A 90 -10.795 -8.345 -4.302 1.00 0.00 O ATOM 1310 CB THR A 90 -11.853 -11.056 -3.563 1.00 0.00 C ATOM 1311 OG1 THR A 90 -12.321 -12.402 -3.699 1.00 0.00 O ATOM 1312 CG2 THR A 90 -12.555 -10.386 -2.391 1.00 0.00 C ATOM 0 H THR A 90 -10.241 -10.787 -5.686 1.00 0.00 H new ATOM 0 HA THR A 90 -13.125 -10.452 -5.197 1.00 0.00 H new ATOM 0 HB THR A 90 -10.781 -11.063 -3.368 1.00 0.00 H new ATOM 0 HG1 THR A 90 -11.561 -12.997 -3.872 1.00 0.00 H new ATOM 0 HG21 THR A 90 -12.365 -10.954 -1.480 1.00 0.00 H new ATOM 0 HG22 THR A 90 -12.175 -9.371 -2.271 1.00 0.00 H new ATOM 0 HG23 THR A 90 -13.628 -10.352 -2.581 1.00 0.00 H new ATOM 1320 N ILE A 91 -12.983 -8.023 -4.719 1.00 0.00 N ATOM 1321 CA ILE A 91 -12.927 -6.585 -4.490 1.00 0.00 C ATOM 1322 C ILE A 91 -12.920 -6.265 -2.999 1.00 0.00 C ATOM 1323 O ILE A 91 -13.610 -6.913 -2.211 1.00 0.00 O ATOM 1324 CB ILE A 91 -14.115 -5.863 -5.153 1.00 0.00 C ATOM 1325 CG1 ILE A 91 -14.193 -6.221 -6.639 1.00 0.00 C ATOM 1326 CG2 ILE A 91 -13.989 -4.358 -4.971 1.00 0.00 C ATOM 1327 CD1 ILE A 91 -15.601 -6.202 -7.191 1.00 0.00 C ATOM 0 H ILE A 91 -13.907 -8.375 -4.969 1.00 0.00 H new ATOM 0 HA ILE A 91 -12.000 -6.230 -4.939 1.00 0.00 H new ATOM 0 HB ILE A 91 -15.036 -6.192 -4.671 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -13.579 -5.521 -7.206 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -13.766 -7.213 -6.789 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -14.836 -3.862 -5.445 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -13.978 -4.120 -3.907 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -13.063 -4.012 -5.430 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -15.581 -6.465 -8.249 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -16.214 -6.923 -6.649 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -16.025 -5.205 -7.073 1.00 0.00 H new ATOM 1339 N TYR A 92 -12.138 -5.261 -2.619 1.00 0.00 N ATOM 1340 CA TYR A 92 -12.040 -4.855 -1.222 1.00 0.00 C ATOM 1341 C TYR A 92 -12.611 -3.455 -1.020 1.00 0.00 C ATOM 1342 O TYR A 92 -13.266 -3.178 -0.017 1.00 0.00 O ATOM 1343 CB TYR A 92 -10.583 -4.896 -0.758 1.00 0.00 C ATOM 1344 CG TYR A 92 -10.003 -6.291 -0.704 1.00 0.00 C ATOM 1345 CD1 TYR A 92 -10.023 -7.116 -1.821 1.00 0.00 C ATOM 1346 CD2 TYR A 92 -9.436 -6.784 0.464 1.00 0.00 C ATOM 1347 CE1 TYR A 92 -9.495 -8.392 -1.777 1.00 0.00 C ATOM 1348 CE2 TYR A 92 -8.904 -8.058 0.518 1.00 0.00 C ATOM 1349 CZ TYR A 92 -8.936 -8.858 -0.605 1.00 0.00 C ATOM 1350 OH TYR A 92 -8.409 -10.128 -0.555 1.00 0.00 O ATOM 0 H TYR A 92 -11.563 -4.713 -3.259 1.00 0.00 H new ATOM 0 HA TYR A 92 -12.624 -5.555 -0.625 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -9.979 -4.287 -1.430 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -10.513 -4.444 0.231 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -10.459 -6.754 -2.740 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -9.410 -6.161 1.346 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -9.520 -9.021 -2.655 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -8.466 -8.425 1.434 1.00 0.00 H new ATOM 0 HH TYR A 92 -8.847 -10.691 -1.227 1.00 0.00 H new