USER MOD reduce.3.24.130724 H: found=0, std=0, add=540, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 541 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 41 GLN : amide:sc= -0.358 K(o=-0.4,f=-1) USER MOD Set 1.2: A 44 SER OG : rot 170:sc= -0.0448 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 180:sc= -0.332 USER MOD Single : A 15 ASN : amide:sc= -0.846 K(o=-0.85,f=-1.4) USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN : amide:sc= -0.103 X(o=-0.1,f=-0.26) USER MOD Single : A 37 ASN : amide:sc= -0.717 K(o=-0.72,f=-9.8!) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0.0462 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot -15:sc= -1.44 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN :FLIP amide:sc= -2.39! C(o=-4!,f=-2.4!) USER MOD Single : A 66 HIS : no HE2:sc= -2.04 K(o=-2,f=-2.9) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 88 N VAL A 7 -9.808 -4.912 5.219 1.00 1.00 N ATOM 89 CA VAL A 7 -8.930 -3.737 5.214 1.00 1.00 C ATOM 90 C VAL A 7 -9.401 -2.801 4.112 1.00 1.00 C ATOM 91 O VAL A 7 -9.609 -3.232 2.993 1.00 1.00 O ATOM 92 CB VAL A 7 -7.484 -4.171 4.956 1.00 1.00 C ATOM 93 CG1 VAL A 7 -6.553 -2.962 5.087 1.00 1.00 C ATOM 94 CG2 VAL A 7 -7.090 -5.240 5.981 1.00 1.00 C ATOM 0 HA VAL A 7 -8.969 -3.229 6.178 1.00 1.00 H new ATOM 0 HB VAL A 7 -7.398 -4.580 3.949 1.00 1.00 H new ATOM 0 HG11 VAL A 7 -5.525 -3.273 4.903 1.00 1.00 H new ATOM 0 HG12 VAL A 7 -6.838 -2.203 4.359 1.00 1.00 H new ATOM 0 HG13 VAL A 7 -6.633 -2.549 6.092 1.00 1.00 H new ATOM 0 HG21 VAL A 7 -6.061 -5.553 5.803 1.00 1.00 H new ATOM 0 HG22 VAL A 7 -7.175 -4.829 6.987 1.00 1.00 H new ATOM 0 HG23 VAL A 7 -7.753 -6.100 5.883 1.00 1.00 H new ATOM 104 N TYR A 8 -9.601 -1.527 4.444 1.00 1.00 N ATOM 105 CA TYR A 8 -10.086 -0.539 3.466 1.00 1.00 C ATOM 106 C TYR A 8 -9.165 0.674 3.425 1.00 1.00 C ATOM 107 O TYR A 8 -8.797 1.217 4.465 1.00 1.00 O ATOM 108 CB TYR A 8 -11.497 -0.082 3.881 1.00 1.00 C ATOM 109 CG TYR A 8 -12.470 -1.239 3.734 1.00 1.00 C ATOM 110 CD1 TYR A 8 -12.416 -2.308 4.639 1.00 1.00 C ATOM 111 CD2 TYR A 8 -13.420 -1.254 2.698 1.00 1.00 C ATOM 112 CE1 TYR A 8 -13.301 -3.387 4.515 1.00 1.00 C ATOM 113 CE2 TYR A 8 -14.308 -2.331 2.576 1.00 1.00 C ATOM 114 CZ TYR A 8 -14.247 -3.396 3.483 1.00 1.00 C ATOM 115 OH TYR A 8 -15.121 -4.456 3.359 1.00 1.00 O ATOM 0 H TYR A 8 -9.437 -1.150 5.377 1.00 1.00 H new ATOM 0 HA TYR A 8 -10.105 -0.999 2.478 1.00 1.00 H new ATOM 0 HB2 TYR A 8 -11.488 0.270 4.913 1.00 1.00 H new ATOM 0 HB3 TYR A 8 -11.816 0.756 3.261 1.00 1.00 H new ATOM 0 HD1 TYR A 8 -11.688 -2.300 5.437 1.00 1.00 H new ATOM 0 HD2 TYR A 8 -13.465 -0.435 1.996 1.00 1.00 H new ATOM 0 HE1 TYR A 8 -13.254 -4.209 5.213 1.00 1.00 H new ATOM 0 HE2 TYR A 8 -15.040 -2.340 1.782 1.00 1.00 H new ATOM 0 HH TYR A 8 -15.712 -4.305 2.592 1.00 1.00 H new ATOM 125 N VAL A 9 -8.789 1.091 2.213 1.00 1.00 N ATOM 126 CA VAL A 9 -7.902 2.246 2.024 1.00 1.00 C ATOM 127 C VAL A 9 -8.334 3.401 2.933 1.00 1.00 C ATOM 128 O VAL A 9 -9.401 3.345 3.543 1.00 1.00 O ATOM 129 CB VAL A 9 -7.939 2.660 0.543 1.00 1.00 C ATOM 130 CG1 VAL A 9 -6.942 3.797 0.261 1.00 1.00 C ATOM 131 CG2 VAL A 9 -7.565 1.448 -0.321 1.00 1.00 C ATOM 0 H VAL A 9 -9.085 0.646 1.345 1.00 1.00 H new ATOM 0 HA VAL A 9 -6.880 1.980 2.294 1.00 1.00 H new ATOM 0 HB VAL A 9 -8.943 3.011 0.306 1.00 1.00 H new ATOM 0 HG11 VAL A 9 -6.989 4.069 -0.793 1.00 1.00 H new ATOM 0 HG12 VAL A 9 -7.196 4.664 0.871 1.00 1.00 H new ATOM 0 HG13 VAL A 9 -5.933 3.465 0.505 1.00 1.00 H new ATOM 0 HG21 VAL A 9 -7.588 1.730 -1.374 1.00 1.00 H new ATOM 0 HG22 VAL A 9 -6.563 1.109 -0.058 1.00 1.00 H new ATOM 0 HG23 VAL A 9 -8.278 0.642 -0.146 1.00 1.00 H new ATOM 141 N MET A 10 -7.512 4.454 3.021 1.00 1.00 N ATOM 142 CA MET A 10 -7.838 5.596 3.853 1.00 1.00 C ATOM 143 C MET A 10 -8.517 6.697 3.040 1.00 1.00 C ATOM 144 O MET A 10 -9.676 7.027 3.286 1.00 1.00 O ATOM 145 CB MET A 10 -6.547 6.128 4.459 1.00 1.00 C ATOM 146 CG MET A 10 -6.845 7.090 5.591 1.00 1.00 C ATOM 147 SD MET A 10 -7.577 6.207 7.002 1.00 1.00 S ATOM 148 CE MET A 10 -6.046 5.835 7.891 1.00 1.00 C ATOM 0 H MET A 10 -6.624 4.530 2.526 1.00 1.00 H new ATOM 0 HA MET A 10 -8.532 5.284 4.634 1.00 1.00 H new ATOM 0 HB2 MET A 10 -5.944 5.299 4.829 1.00 1.00 H new ATOM 0 HB3 MET A 10 -5.960 6.632 3.692 1.00 1.00 H new ATOM 0 HG2 MET A 10 -5.927 7.589 5.903 1.00 1.00 H new ATOM 0 HG3 MET A 10 -7.528 7.866 5.246 1.00 1.00 H new ATOM 0 HE1 MET A 10 -6.279 5.286 8.803 1.00 1.00 H new ATOM 0 HE2 MET A 10 -5.396 5.229 7.259 1.00 1.00 H new ATOM 0 HE3 MET A 10 -5.539 6.765 8.147 1.00 1.00 H new ATOM 158 N SER A 11 -7.784 7.288 2.088 1.00 1.00 N ATOM 159 CA SER A 11 -8.356 8.380 1.281 1.00 1.00 C ATOM 160 C SER A 11 -7.659 8.489 -0.063 1.00 1.00 C ATOM 161 O SER A 11 -6.674 7.808 -0.308 1.00 1.00 O ATOM 162 CB SER A 11 -8.204 9.701 2.038 1.00 1.00 C ATOM 163 OG SER A 11 -8.866 9.603 3.294 1.00 1.00 O ATOM 0 H SER A 11 -6.821 7.040 1.859 1.00 1.00 H new ATOM 0 HA SER A 11 -9.410 8.164 1.106 1.00 1.00 H new ATOM 0 HB2 SER A 11 -7.148 9.928 2.187 1.00 1.00 H new ATOM 0 HB3 SER A 11 -8.627 10.519 1.454 1.00 1.00 H new ATOM 0 HG SER A 11 -8.769 10.447 3.782 1.00 1.00 H new ATOM 169 N VAL A 12 -8.172 9.361 -0.938 1.00 1.00 N ATOM 170 CA VAL A 12 -7.581 9.576 -2.265 1.00 1.00 C ATOM 171 C VAL A 12 -7.121 11.020 -2.369 1.00 1.00 C ATOM 172 O VAL A 12 -7.934 11.916 -2.592 1.00 1.00 O ATOM 173 CB VAL A 12 -8.632 9.320 -3.345 1.00 1.00 C ATOM 174 CG1 VAL A 12 -7.970 9.308 -4.726 1.00 1.00 C ATOM 175 CG2 VAL A 12 -9.307 7.977 -3.087 1.00 1.00 C ATOM 0 H VAL A 12 -8.997 9.931 -0.751 1.00 1.00 H new ATOM 0 HA VAL A 12 -6.740 8.896 -2.402 1.00 1.00 H new ATOM 0 HB VAL A 12 -9.378 10.114 -3.316 1.00 1.00 H new ATOM 0 HG11 VAL A 12 -8.726 9.125 -5.490 1.00 1.00 H new ATOM 0 HG12 VAL A 12 -7.494 10.271 -4.910 1.00 1.00 H new ATOM 0 HG13 VAL A 12 -7.219 8.519 -4.762 1.00 1.00 H new ATOM 0 HG21 VAL A 12 -10.057 7.793 -3.856 1.00 1.00 H new ATOM 0 HG22 VAL A 12 -8.560 7.184 -3.111 1.00 1.00 H new ATOM 0 HG23 VAL A 12 -9.787 7.993 -2.109 1.00 1.00 H new ATOM 185 N LEU A 13 -5.827 11.248 -2.200 1.00 1.00 N ATOM 186 CA LEU A 13 -5.278 12.596 -2.272 1.00 1.00 C ATOM 187 C LEU A 13 -4.641 12.840 -3.649 1.00 1.00 C ATOM 188 O LEU A 13 -3.682 12.158 -3.985 1.00 1.00 O ATOM 189 CB LEU A 13 -4.221 12.782 -1.161 1.00 1.00 C ATOM 190 CG LEU A 13 -4.890 13.328 0.111 1.00 1.00 C ATOM 191 CD1 LEU A 13 -5.968 12.340 0.586 1.00 1.00 C ATOM 192 CD2 LEU A 13 -3.837 13.527 1.199 1.00 1.00 C ATOM 0 H LEU A 13 -5.138 10.520 -2.012 1.00 1.00 H new ATOM 0 HA LEU A 13 -6.084 13.316 -2.130 1.00 1.00 H new ATOM 0 HB2 LEU A 13 -3.734 11.830 -0.947 1.00 1.00 H new ATOM 0 HB3 LEU A 13 -3.444 13.469 -1.497 1.00 1.00 H new ATOM 0 HG LEU A 13 -5.359 14.288 -0.104 1.00 1.00 H new ATOM 0 HD11 LEU A 13 -6.443 12.726 1.488 1.00 1.00 H new ATOM 0 HD12 LEU A 13 -6.718 12.217 -0.195 1.00 1.00 H new ATOM 0 HD13 LEU A 13 -5.508 11.376 0.802 1.00 1.00 H new ATOM 0 HD21 LEU A 13 -4.313 13.914 2.100 1.00 1.00 H new ATOM 0 HD22 LEU A 13 -3.360 12.573 1.422 1.00 1.00 H new ATOM 0 HD23 LEU A 13 -3.085 14.236 0.853 1.00 1.00 H new ATOM 204 N PRO A 14 -5.140 13.798 -4.431 1.00 1.00 N ATOM 205 CA PRO A 14 -4.553 14.154 -5.777 1.00 1.00 C ATOM 206 C PRO A 14 -3.060 14.544 -5.696 1.00 1.00 C ATOM 207 O PRO A 14 -2.648 15.576 -6.226 1.00 1.00 O ATOM 208 CB PRO A 14 -5.404 15.369 -6.235 1.00 1.00 C ATOM 209 CG PRO A 14 -6.697 15.236 -5.499 1.00 1.00 C ATOM 210 CD PRO A 14 -6.345 14.619 -4.151 1.00 1.00 C ATOM 0 HA PRO A 14 -4.584 13.308 -6.463 1.00 1.00 H new ATOM 0 HB2 PRO A 14 -4.909 16.310 -5.996 1.00 1.00 H new ATOM 0 HB3 PRO A 14 -5.561 15.357 -7.314 1.00 1.00 H new ATOM 0 HG2 PRO A 14 -7.176 16.207 -5.372 1.00 1.00 H new ATOM 0 HG3 PRO A 14 -7.396 14.605 -6.047 1.00 1.00 H new ATOM 0 HD2 PRO A 14 -6.140 15.385 -3.403 1.00 1.00 H new ATOM 0 HD3 PRO A 14 -7.162 14.009 -3.766 1.00 1.00 H new ATOM 218 N ASN A 15 -2.269 13.719 -5.029 1.00 1.00 N ATOM 219 CA ASN A 15 -0.841 13.969 -4.876 1.00 1.00 C ATOM 220 C ASN A 15 -0.136 12.761 -4.256 1.00 1.00 C ATOM 221 O ASN A 15 1.034 12.853 -3.883 1.00 1.00 O ATOM 222 CB ASN A 15 -0.615 15.186 -3.974 1.00 1.00 C ATOM 223 CG ASN A 15 0.870 15.536 -3.945 1.00 1.00 C ATOM 224 OD1 ASN A 15 1.529 15.536 -4.984 1.00 1.00 O ATOM 225 ND2 ASN A 15 1.443 15.824 -2.807 1.00 1.00 N ATOM 0 H ASN A 15 -2.594 12.862 -4.580 1.00 1.00 H new ATOM 0 HA ASN A 15 -0.427 14.155 -5.867 1.00 1.00 H new ATOM 0 HB2 ASN A 15 -1.191 16.035 -4.341 1.00 1.00 H new ATOM 0 HB3 ASN A 15 -0.968 14.973 -2.965 1.00 1.00 H new ATOM 0 HD21 ASN A 15 2.437 16.049 -2.779 1.00 1.00 H new ATOM 0 HD22 ASN A 15 0.896 15.824 -1.946 1.00 1.00 H new ATOM 232 N MET A 16 -0.855 11.634 -4.126 1.00 1.00 N ATOM 233 CA MET A 16 -0.292 10.417 -3.521 1.00 1.00 C ATOM 234 C MET A 16 -0.043 9.348 -4.595 1.00 1.00 C ATOM 235 O MET A 16 -0.670 9.366 -5.652 1.00 1.00 O ATOM 236 CB MET A 16 -1.275 9.895 -2.442 1.00 1.00 C ATOM 237 CG MET A 16 -1.114 10.715 -1.149 1.00 1.00 C ATOM 238 SD MET A 16 0.481 10.349 -0.369 1.00 1.00 S ATOM 239 CE MET A 16 0.279 11.431 1.067 1.00 1.00 C ATOM 0 H MET A 16 -1.824 11.541 -4.431 1.00 1.00 H new ATOM 0 HA MET A 16 0.667 10.648 -3.056 1.00 1.00 H new ATOM 0 HB2 MET A 16 -2.300 9.969 -2.805 1.00 1.00 H new ATOM 0 HB3 MET A 16 -1.083 8.841 -2.241 1.00 1.00 H new ATOM 0 HG2 MET A 16 -1.181 11.779 -1.374 1.00 1.00 H new ATOM 0 HG3 MET A 16 -1.926 10.483 -0.459 1.00 1.00 H new ATOM 0 HE1 MET A 16 1.163 11.364 1.701 1.00 1.00 H new ATOM 0 HE2 MET A 16 0.150 12.460 0.732 1.00 1.00 H new ATOM 0 HE3 MET A 16 -0.598 11.122 1.635 1.00 1.00 H new ATOM 249 N PRO A 17 0.868 8.429 -4.353 1.00 1.00 N ATOM 250 CA PRO A 17 1.202 7.353 -5.342 1.00 1.00 C ATOM 251 C PRO A 17 0.004 6.462 -5.702 1.00 1.00 C ATOM 252 O PRO A 17 -0.009 5.841 -6.764 1.00 1.00 O ATOM 253 CB PRO A 17 2.338 6.548 -4.649 1.00 1.00 C ATOM 254 CG PRO A 17 2.241 6.887 -3.186 1.00 1.00 C ATOM 255 CD PRO A 17 1.694 8.310 -3.128 1.00 1.00 C ATOM 0 HA PRO A 17 1.502 7.772 -6.302 1.00 1.00 H new ATOM 0 HB2 PRO A 17 2.215 5.477 -4.812 1.00 1.00 H new ATOM 0 HB3 PRO A 17 3.314 6.822 -5.051 1.00 1.00 H new ATOM 0 HG2 PRO A 17 1.581 6.192 -2.666 1.00 1.00 H new ATOM 0 HG3 PRO A 17 3.216 6.822 -2.703 1.00 1.00 H new ATOM 0 HD2 PRO A 17 1.100 8.472 -2.229 1.00 1.00 H new ATOM 0 HD3 PRO A 17 2.498 9.046 -3.116 1.00 1.00 H new ATOM 263 N ALA A 18 -0.992 6.389 -4.820 1.00 1.00 N ATOM 264 CA ALA A 18 -2.185 5.553 -5.054 1.00 1.00 C ATOM 265 C ALA A 18 -3.268 6.344 -5.823 1.00 1.00 C ATOM 266 O ALA A 18 -4.231 5.774 -6.332 1.00 1.00 O ATOM 267 CB ALA A 18 -2.714 5.072 -3.671 1.00 1.00 C ATOM 0 H ALA A 18 -1.003 6.896 -3.935 1.00 1.00 H new ATOM 0 HA ALA A 18 -1.925 4.692 -5.669 1.00 1.00 H new ATOM 0 HB1 ALA A 18 -3.598 4.451 -3.816 1.00 1.00 H new ATOM 0 HB2 ALA A 18 -1.941 4.492 -3.167 1.00 1.00 H new ATOM 0 HB3 ALA A 18 -2.974 5.937 -3.060 1.00 1.00 H new ATOM 273 N ALA A 19 -3.077 7.652 -5.896 1.00 1.00 N ATOM 274 CA ALA A 19 -4.024 8.510 -6.603 1.00 1.00 C ATOM 275 C ALA A 19 -4.119 8.077 -8.067 1.00 1.00 C ATOM 276 O ALA A 19 -3.153 8.195 -8.824 1.00 1.00 O ATOM 277 CB ALA A 19 -3.614 9.979 -6.519 1.00 1.00 C ATOM 0 H ALA A 19 -2.285 8.142 -5.480 1.00 1.00 H new ATOM 0 HA ALA A 19 -4.999 8.406 -6.126 1.00 1.00 H new ATOM 0 HB1 ALA A 19 -4.340 10.591 -7.055 1.00 1.00 H new ATOM 0 HB2 ALA A 19 -3.580 10.288 -5.474 1.00 1.00 H new ATOM 0 HB3 ALA A 19 -2.629 10.108 -6.967 1.00 1.00 H new ATOM 283 N GLY A 20 -5.295 7.573 -8.461 1.00 1.00 N ATOM 284 CA GLY A 20 -5.527 7.117 -9.839 1.00 1.00 C ATOM 285 C GLY A 20 -5.376 5.602 -9.953 1.00 1.00 C ATOM 286 O GLY A 20 -5.742 5.010 -10.969 1.00 1.00 O ATOM 0 H GLY A 20 -6.102 7.470 -7.845 1.00 1.00 H new ATOM 0 HA2 GLY A 20 -6.527 7.410 -10.158 1.00 1.00 H new ATOM 0 HA3 GLY A 20 -4.822 7.607 -10.510 1.00 1.00 H new ATOM 290 N ARG A 21 -4.833 4.977 -8.900 1.00 1.00 N ATOM 291 CA ARG A 21 -4.628 3.515 -8.873 1.00 1.00 C ATOM 292 C ARG A 21 -5.531 2.872 -7.819 1.00 1.00 C ATOM 293 O ARG A 21 -6.047 1.770 -8.012 1.00 1.00 O ATOM 294 CB ARG A 21 -3.167 3.212 -8.533 1.00 1.00 C ATOM 295 CG ARG A 21 -2.260 3.725 -9.651 1.00 1.00 C ATOM 296 CD ARG A 21 -0.804 3.426 -9.295 1.00 1.00 C ATOM 297 NE ARG A 21 0.095 3.964 -10.320 1.00 1.00 N ATOM 298 CZ ARG A 21 0.382 3.284 -11.430 1.00 1.00 C ATOM 299 NH1 ARG A 21 -0.158 2.115 -11.640 1.00 1.00 N ATOM 300 NH2 ARG A 21 1.207 3.790 -12.307 1.00 1.00 N ATOM 0 H ARG A 21 -4.526 5.457 -8.054 1.00 1.00 H new ATOM 0 HA ARG A 21 -4.875 3.107 -9.853 1.00 1.00 H new ATOM 0 HB2 ARG A 21 -2.898 3.684 -7.588 1.00 1.00 H new ATOM 0 HB3 ARG A 21 -3.029 2.139 -8.403 1.00 1.00 H new ATOM 0 HG2 ARG A 21 -2.521 3.247 -10.595 1.00 1.00 H new ATOM 0 HG3 ARG A 21 -2.401 4.797 -9.786 1.00 1.00 H new ATOM 0 HD2 ARG A 21 -0.563 3.863 -8.326 1.00 1.00 H new ATOM 0 HD3 ARG A 21 -0.659 2.349 -9.204 1.00 1.00 H new ATOM 0 HE ARG A 21 0.513 4.884 -10.180 1.00 1.00 H new ATOM 0 HH11 ARG A 21 -0.801 1.720 -10.954 1.00 1.00 H new ATOM 0 HH12 ARG A 21 0.063 1.596 -12.490 1.00 1.00 H new ATOM 0 HH21 ARG A 21 1.630 4.703 -12.142 1.00 1.00 H new ATOM 0 HH22 ARG A 21 1.428 3.272 -13.157 1.00 1.00 H new ATOM 314 N LEU A 22 -5.707 3.585 -6.700 1.00 1.00 N ATOM 315 CA LEU A 22 -6.548 3.115 -5.588 1.00 1.00 C ATOM 316 C LEU A 22 -7.635 4.127 -5.272 1.00 1.00 C ATOM 317 O LEU A 22 -7.469 5.329 -5.471 1.00 1.00 O ATOM 318 CB LEU A 22 -5.670 2.831 -4.330 1.00 1.00 C ATOM 319 CG LEU A 22 -5.554 1.312 -4.063 1.00 1.00 C ATOM 320 CD1 LEU A 22 -6.963 0.686 -3.806 1.00 1.00 C ATOM 321 CD2 LEU A 22 -4.860 0.620 -5.259 1.00 1.00 C ATOM 0 H LEU A 22 -5.276 4.495 -6.539 1.00 1.00 H new ATOM 0 HA LEU A 22 -7.032 2.185 -5.887 1.00 1.00 H new ATOM 0 HB2 LEU A 22 -4.676 3.255 -4.473 1.00 1.00 H new ATOM 0 HB3 LEU A 22 -6.105 3.324 -3.460 1.00 1.00 H new ATOM 0 HG LEU A 22 -4.950 1.159 -3.169 1.00 1.00 H new ATOM 0 HD11 LEU A 22 -6.858 -0.383 -3.621 1.00 1.00 H new ATOM 0 HD12 LEU A 22 -7.420 1.162 -2.938 1.00 1.00 H new ATOM 0 HD13 LEU A 22 -7.595 0.842 -4.680 1.00 1.00 H new ATOM 0 HD21 LEU A 22 -4.781 -0.450 -5.065 1.00 1.00 H new ATOM 0 HD22 LEU A 22 -5.446 0.782 -6.164 1.00 1.00 H new ATOM 0 HD23 LEU A 22 -3.863 1.039 -5.393 1.00 1.00 H new ATOM 333 N GLU A 23 -8.771 3.613 -4.785 1.00 1.00 N ATOM 334 CA GLU A 23 -9.915 4.454 -4.449 1.00 1.00 C ATOM 335 C GLU A 23 -10.573 3.985 -3.155 1.00 1.00 C ATOM 336 O GLU A 23 -10.482 2.819 -2.770 1.00 1.00 O ATOM 337 CB GLU A 23 -10.934 4.403 -5.603 1.00 1.00 C ATOM 338 CG GLU A 23 -10.442 5.247 -6.792 1.00 1.00 C ATOM 339 CD GLU A 23 -10.511 6.735 -6.457 1.00 1.00 C ATOM 340 OE1 GLU A 23 -11.409 7.115 -5.724 1.00 1.00 O ATOM 341 OE2 GLU A 23 -9.665 7.470 -6.936 1.00 1.00 O ATOM 0 H GLU A 23 -8.918 2.618 -4.617 1.00 1.00 H new ATOM 0 HA GLU A 23 -9.570 5.478 -4.302 1.00 1.00 H new ATOM 0 HB2 GLU A 23 -11.083 3.371 -5.919 1.00 1.00 H new ATOM 0 HB3 GLU A 23 -11.900 4.774 -5.260 1.00 1.00 H new ATOM 0 HG2 GLU A 23 -9.417 4.972 -7.042 1.00 1.00 H new ATOM 0 HG3 GLU A 23 -11.051 5.038 -7.671 1.00 1.00 H new ATOM 348 N ALA A 24 -11.243 4.923 -2.505 1.00 1.00 N ATOM 349 CA ALA A 24 -11.935 4.637 -1.262 1.00 1.00 C ATOM 350 C ALA A 24 -13.003 3.586 -1.522 1.00 1.00 C ATOM 351 O ALA A 24 -13.769 3.697 -2.480 1.00 1.00 O ATOM 352 CB ALA A 24 -12.578 5.916 -0.713 1.00 1.00 C ATOM 0 H ALA A 24 -11.321 5.890 -2.820 1.00 1.00 H new ATOM 0 HA ALA A 24 -11.225 4.262 -0.525 1.00 1.00 H new ATOM 0 HB1 ALA A 24 -13.095 5.692 0.220 1.00 1.00 H new ATOM 0 HB2 ALA A 24 -11.805 6.662 -0.529 1.00 1.00 H new ATOM 0 HB3 ALA A 24 -13.292 6.305 -1.439 1.00 1.00 H new ATOM 358 N GLY A 25 -13.044 2.557 -0.675 1.00 1.00 N ATOM 359 CA GLY A 25 -14.010 1.458 -0.824 1.00 1.00 C ATOM 360 C GLY A 25 -13.281 0.167 -1.199 1.00 1.00 C ATOM 361 O GLY A 25 -13.765 -0.930 -0.917 1.00 1.00 O ATOM 0 H GLY A 25 -12.419 2.458 0.125 1.00 1.00 H new ATOM 0 HA2 GLY A 25 -14.560 1.318 0.107 1.00 1.00 H new ATOM 0 HA3 GLY A 25 -14.742 1.708 -1.592 1.00 1.00 H new ATOM 365 N ASP A 26 -12.108 0.303 -1.824 1.00 1.00 N ATOM 366 CA ASP A 26 -11.312 -0.872 -2.214 1.00 1.00 C ATOM 367 C ASP A 26 -10.552 -1.424 -1.011 1.00 1.00 C ATOM 368 O ASP A 26 -10.241 -0.688 -0.076 1.00 1.00 O ATOM 369 CB ASP A 26 -10.306 -0.486 -3.317 1.00 1.00 C ATOM 370 CG ASP A 26 -11.061 -0.146 -4.603 1.00 1.00 C ATOM 371 OD1 ASP A 26 -12.219 -0.525 -4.705 1.00 1.00 O ATOM 372 OD2 ASP A 26 -10.473 0.486 -5.461 1.00 1.00 O ATOM 0 H ASP A 26 -11.690 1.200 -2.070 1.00 1.00 H new ATOM 0 HA ASP A 26 -11.991 -1.637 -2.590 1.00 1.00 H new ATOM 0 HB2 ASP A 26 -9.710 0.368 -2.997 1.00 1.00 H new ATOM 0 HB3 ASP A 26 -9.614 -1.309 -3.496 1.00 1.00 H new ATOM 377 N ARG A 27 -10.257 -2.730 -1.045 1.00 1.00 N ATOM 378 CA ARG A 27 -9.521 -3.395 0.041 1.00 1.00 C ATOM 379 C ARG A 27 -8.271 -4.063 -0.506 1.00 1.00 C ATOM 380 O ARG A 27 -8.129 -4.238 -1.714 1.00 1.00 O ATOM 381 CB ARG A 27 -10.399 -4.442 0.742 1.00 1.00 C ATOM 382 CG ARG A 27 -11.015 -5.407 -0.280 1.00 1.00 C ATOM 383 CD ARG A 27 -11.622 -6.613 0.450 1.00 1.00 C ATOM 384 NE ARG A 27 -12.373 -7.430 -0.497 1.00 1.00 N ATOM 385 CZ ARG A 27 -12.816 -8.637 -0.173 1.00 1.00 C ATOM 386 NH1 ARG A 27 -12.575 -9.121 1.014 1.00 1.00 N ATOM 387 NH2 ARG A 27 -13.485 -9.340 -1.045 1.00 1.00 N ATOM 0 H ARG A 27 -10.517 -3.349 -1.813 1.00 1.00 H new ATOM 0 HA ARG A 27 -9.238 -2.635 0.770 1.00 1.00 H new ATOM 0 HB2 ARG A 27 -9.802 -5.001 1.463 1.00 1.00 H new ATOM 0 HB3 ARG A 27 -11.190 -3.944 1.302 1.00 1.00 H new ATOM 0 HG2 ARG A 27 -11.783 -4.896 -0.860 1.00 1.00 H new ATOM 0 HG3 ARG A 27 -10.253 -5.741 -0.984 1.00 1.00 H new ATOM 0 HD2 ARG A 27 -10.833 -7.206 0.912 1.00 1.00 H new ATOM 0 HD3 ARG A 27 -12.277 -6.273 1.252 1.00 1.00 H new ATOM 0 HE ARG A 27 -12.562 -7.064 -1.430 1.00 1.00 H new ATOM 0 HH11 ARG A 27 -12.047 -8.571 1.691 1.00 1.00 H new ATOM 0 HH12 ARG A 27 -12.915 -10.049 1.265 1.00 1.00 H new ATOM 0 HH21 ARG A 27 -13.667 -8.961 -1.974 1.00 1.00 H new ATOM 0 HH22 ARG A 27 -13.826 -10.269 -0.797 1.00 1.00 H new ATOM 401 N ILE A 28 -7.358 -4.438 0.396 1.00 1.00 N ATOM 402 CA ILE A 28 -6.104 -5.085 -0.014 1.00 1.00 C ATOM 403 C ILE A 28 -6.204 -6.595 0.162 1.00 1.00 C ATOM 404 O ILE A 28 -6.465 -7.089 1.260 1.00 1.00 O ATOM 405 CB ILE A 28 -4.935 -4.543 0.828 1.00 1.00 C ATOM 406 CG1 ILE A 28 -5.033 -3.011 0.931 1.00 1.00 C ATOM 407 CG2 ILE A 28 -3.603 -4.933 0.179 1.00 1.00 C ATOM 408 CD1 ILE A 28 -5.126 -2.364 -0.461 1.00 1.00 C ATOM 0 H ILE A 28 -7.460 -4.308 1.403 1.00 1.00 H new ATOM 0 HA ILE A 28 -5.926 -4.863 -1.066 1.00 1.00 H new ATOM 0 HB ILE A 28 -4.986 -4.974 1.828 1.00 1.00 H new ATOM 0 HG12 ILE A 28 -5.909 -2.739 1.520 1.00 1.00 H new ATOM 0 HG13 ILE A 28 -4.161 -2.623 1.458 1.00 1.00 H new ATOM 0 HG21 ILE A 28 -2.779 -4.547 0.779 1.00 1.00 H new ATOM 0 HG22 ILE A 28 -3.531 -6.019 0.120 1.00 1.00 H new ATOM 0 HG23 ILE A 28 -3.550 -4.511 -0.825 1.00 1.00 H new ATOM 0 HD11 ILE A 28 -5.194 -1.281 -0.355 1.00 1.00 H new ATOM 0 HD12 ILE A 28 -4.238 -2.617 -1.040 1.00 1.00 H new ATOM 0 HD13 ILE A 28 -6.012 -2.735 -0.976 1.00 1.00 H new ATOM 420 N ALA A 29 -5.990 -7.322 -0.933 1.00 1.00 N ATOM 421 CA ALA A 29 -6.048 -8.790 -0.909 1.00 1.00 C ATOM 422 C ALA A 29 -4.644 -9.387 -0.814 1.00 1.00 C ATOM 423 O ALA A 29 -4.472 -10.520 -0.369 1.00 1.00 O ATOM 424 CB ALA A 29 -6.737 -9.295 -2.179 1.00 1.00 C ATOM 0 H ALA A 29 -5.775 -6.924 -1.847 1.00 1.00 H new ATOM 0 HA ALA A 29 -6.616 -9.102 -0.032 1.00 1.00 H new ATOM 0 HB1 ALA A 29 -6.780 -10.384 -2.161 1.00 1.00 H new ATOM 0 HB2 ALA A 29 -7.749 -8.893 -2.229 1.00 1.00 H new ATOM 0 HB3 ALA A 29 -6.174 -8.968 -3.053 1.00 1.00 H new ATOM 430 N ALA A 30 -3.649 -8.610 -1.229 1.00 1.00 N ATOM 431 CA ALA A 30 -2.265 -9.077 -1.181 1.00 1.00 C ATOM 432 C ALA A 30 -1.284 -7.963 -1.527 1.00 1.00 C ATOM 433 O ALA A 30 -1.634 -6.981 -2.179 1.00 1.00 O ATOM 434 CB ALA A 30 -2.067 -10.257 -2.142 1.00 1.00 C ATOM 0 H ALA A 30 -3.770 -7.667 -1.598 1.00 1.00 H new ATOM 0 HA ALA A 30 -2.064 -9.401 -0.160 1.00 1.00 H new ATOM 0 HB1 ALA A 30 -1.032 -10.594 -2.096 1.00 1.00 H new ATOM 0 HB2 ALA A 30 -2.728 -11.075 -1.855 1.00 1.00 H new ATOM 0 HB3 ALA A 30 -2.300 -9.941 -3.159 1.00 1.00 H new ATOM 440 N ILE A 31 -0.034 -8.151 -1.098 1.00 1.00 N ATOM 441 CA ILE A 31 1.042 -7.186 -1.382 1.00 1.00 C ATOM 442 C ILE A 31 2.310 -7.924 -1.793 1.00 1.00 C ATOM 443 O ILE A 31 2.837 -8.745 -1.044 1.00 1.00 O ATOM 444 CB ILE A 31 1.327 -6.286 -0.165 1.00 1.00 C ATOM 445 CG1 ILE A 31 0.077 -5.451 0.142 1.00 1.00 C ATOM 446 CG2 ILE A 31 2.507 -5.341 -0.476 1.00 1.00 C ATOM 447 CD1 ILE A 31 0.287 -4.635 1.425 1.00 1.00 C ATOM 0 H ILE A 31 0.263 -8.960 -0.553 1.00 1.00 H new ATOM 0 HA ILE A 31 0.712 -6.548 -2.202 1.00 1.00 H new ATOM 0 HB ILE A 31 1.582 -6.907 0.694 1.00 1.00 H new ATOM 0 HG12 ILE A 31 -0.137 -4.783 -0.692 1.00 1.00 H new ATOM 0 HG13 ILE A 31 -0.787 -6.105 0.256 1.00 1.00 H new ATOM 0 HG21 ILE A 31 2.703 -4.707 0.389 1.00 1.00 H new ATOM 0 HG22 ILE A 31 3.395 -5.931 -0.703 1.00 1.00 H new ATOM 0 HG23 ILE A 31 2.257 -4.717 -1.334 1.00 1.00 H new ATOM 0 HD11 ILE A 31 -0.607 -4.047 1.632 1.00 1.00 H new ATOM 0 HD12 ILE A 31 0.478 -5.311 2.259 1.00 1.00 H new ATOM 0 HD13 ILE A 31 1.139 -3.967 1.296 1.00 1.00 H new ATOM 459 N ASP A 32 2.802 -7.604 -2.981 1.00 1.00 N ATOM 460 CA ASP A 32 4.023 -8.218 -3.493 1.00 1.00 C ATOM 461 C ASP A 32 3.949 -9.742 -3.413 1.00 1.00 C ATOM 462 O ASP A 32 4.974 -10.422 -3.387 1.00 1.00 O ATOM 463 CB ASP A 32 5.225 -7.701 -2.698 1.00 1.00 C ATOM 464 CG ASP A 32 6.533 -8.124 -3.364 1.00 1.00 C ATOM 465 OD1 ASP A 32 6.482 -8.594 -4.490 1.00 1.00 O ATOM 466 OD2 ASP A 32 7.568 -7.969 -2.738 1.00 1.00 O ATOM 0 H ASP A 32 2.376 -6.923 -3.610 1.00 1.00 H new ATOM 0 HA ASP A 32 4.137 -7.946 -4.542 1.00 1.00 H new ATOM 0 HB2 ASP A 32 5.181 -6.614 -2.628 1.00 1.00 H new ATOM 0 HB3 ASP A 32 5.188 -8.088 -1.680 1.00 1.00 H new ATOM 471 N GLY A 33 2.721 -10.272 -3.382 1.00 1.00 N ATOM 472 CA GLY A 33 2.496 -11.725 -3.315 1.00 1.00 C ATOM 473 C GLY A 33 2.173 -12.175 -1.894 1.00 1.00 C ATOM 474 O GLY A 33 1.851 -13.339 -1.662 1.00 1.00 O ATOM 0 H GLY A 33 1.865 -9.718 -3.402 1.00 1.00 H new ATOM 0 HA2 GLY A 33 1.676 -11.998 -3.980 1.00 1.00 H new ATOM 0 HA3 GLY A 33 3.383 -12.249 -3.671 1.00 1.00 H new ATOM 478 N GLN A 34 2.279 -11.254 -0.936 1.00 1.00 N ATOM 479 CA GLN A 34 2.014 -11.582 0.469 1.00 1.00 C ATOM 480 C GLN A 34 0.526 -11.359 0.823 1.00 1.00 C ATOM 481 O GLN A 34 0.026 -10.247 0.665 1.00 1.00 O ATOM 482 CB GLN A 34 2.885 -10.717 1.385 1.00 1.00 C ATOM 483 CG GLN A 34 4.355 -10.832 0.963 1.00 1.00 C ATOM 484 CD GLN A 34 4.831 -12.280 1.078 1.00 1.00 C ATOM 485 OE1 GLN A 34 4.611 -12.925 2.104 1.00 1.00 O ATOM 486 NE2 GLN A 34 5.463 -12.830 0.079 1.00 1.00 N ATOM 0 H GLN A 34 2.544 -10.283 -1.102 1.00 1.00 H new ATOM 0 HA GLN A 34 2.255 -12.635 0.617 1.00 1.00 H new ATOM 0 HB2 GLN A 34 2.562 -9.677 1.333 1.00 1.00 H new ATOM 0 HB3 GLN A 34 2.768 -11.036 2.421 1.00 1.00 H new ATOM 0 HG2 GLN A 34 4.474 -10.484 -0.063 1.00 1.00 H new ATOM 0 HG3 GLN A 34 4.972 -10.189 1.591 1.00 1.00 H new ATOM 0 HE21 GLN A 34 5.643 -12.292 -0.769 1.00 1.00 H new ATOM 0 HE22 GLN A 34 5.777 -13.798 0.145 1.00 1.00 H new ATOM 495 N PRO A 35 -0.192 -12.373 1.300 1.00 1.00 N ATOM 496 CA PRO A 35 -1.639 -12.212 1.664 1.00 1.00 C ATOM 497 C PRO A 35 -1.805 -11.435 2.974 1.00 1.00 C ATOM 498 O PRO A 35 -1.108 -11.695 3.954 1.00 1.00 O ATOM 499 CB PRO A 35 -2.139 -13.668 1.786 1.00 1.00 C ATOM 500 CG PRO A 35 -0.930 -14.455 2.200 1.00 1.00 C ATOM 501 CD PRO A 35 0.273 -13.758 1.548 1.00 1.00 C ATOM 0 HA PRO A 35 -2.203 -11.636 0.931 1.00 1.00 H new ATOM 0 HB2 PRO A 35 -2.937 -13.752 2.524 1.00 1.00 H new ATOM 0 HB3 PRO A 35 -2.541 -14.029 0.839 1.00 1.00 H new ATOM 0 HG2 PRO A 35 -0.829 -14.473 3.285 1.00 1.00 H new ATOM 0 HG3 PRO A 35 -1.007 -15.491 1.870 1.00 1.00 H new ATOM 0 HD2 PRO A 35 1.144 -13.773 2.203 1.00 1.00 H new ATOM 0 HD3 PRO A 35 0.563 -14.252 0.621 1.00 1.00 H new ATOM 509 N ILE A 36 -2.718 -10.455 2.967 1.00 1.00 N ATOM 510 CA ILE A 36 -2.948 -9.608 4.147 1.00 1.00 C ATOM 511 C ILE A 36 -4.177 -10.043 4.940 1.00 1.00 C ATOM 512 O ILE A 36 -5.316 -9.900 4.497 1.00 1.00 O ATOM 513 CB ILE A 36 -3.133 -8.153 3.701 1.00 1.00 C ATOM 514 CG1 ILE A 36 -1.996 -7.745 2.748 1.00 1.00 C ATOM 515 CG2 ILE A 36 -3.147 -7.226 4.926 1.00 1.00 C ATOM 516 CD1 ILE A 36 -0.614 -8.054 3.349 1.00 1.00 C ATOM 0 H ILE A 36 -3.306 -10.229 2.165 1.00 1.00 H new ATOM 0 HA ILE A 36 -2.078 -9.708 4.796 1.00 1.00 H new ATOM 0 HB ILE A 36 -4.084 -8.063 3.177 1.00 1.00 H new ATOM 0 HG12 ILE A 36 -2.108 -8.273 1.801 1.00 1.00 H new ATOM 0 HG13 ILE A 36 -2.068 -6.680 2.530 1.00 1.00 H new ATOM 0 HG21 ILE A 36 -3.279 -6.194 4.600 1.00 1.00 H new ATOM 0 HG22 ILE A 36 -3.969 -7.506 5.585 1.00 1.00 H new ATOM 0 HG23 ILE A 36 -2.203 -7.319 5.463 1.00 1.00 H new ATOM 0 HD11 ILE A 36 0.164 -7.752 2.647 1.00 1.00 H new ATOM 0 HD12 ILE A 36 -0.493 -7.506 4.283 1.00 1.00 H new ATOM 0 HD13 ILE A 36 -0.532 -9.124 3.543 1.00 1.00 H new ATOM 528 N ASN A 37 -3.903 -10.566 6.132 1.00 1.00 N ATOM 529 CA ASN A 37 -4.954 -11.038 7.053 1.00 1.00 C ATOM 530 C ASN A 37 -5.060 -10.137 8.283 1.00 1.00 C ATOM 531 O ASN A 37 -6.057 -10.179 9.004 1.00 1.00 O ATOM 532 CB ASN A 37 -4.666 -12.476 7.498 1.00 1.00 C ATOM 533 CG ASN A 37 -3.281 -12.583 8.128 1.00 1.00 C ATOM 534 OD1 ASN A 37 -2.546 -11.599 8.189 1.00 1.00 O ATOM 535 ND2 ASN A 37 -2.885 -13.731 8.606 1.00 1.00 N ATOM 0 H ASN A 37 -2.955 -10.678 6.493 1.00 1.00 H new ATOM 0 HA ASN A 37 -5.902 -11.005 6.516 1.00 1.00 H new ATOM 0 HB2 ASN A 37 -5.422 -12.798 8.215 1.00 1.00 H new ATOM 0 HB3 ASN A 37 -4.733 -13.147 6.641 1.00 1.00 H new ATOM 0 HD21 ASN A 37 -1.962 -13.815 9.033 1.00 1.00 H new ATOM 0 HD22 ASN A 37 -3.498 -14.544 8.553 1.00 1.00 H new ATOM 542 N THR A 38 -4.030 -9.323 8.524 1.00 1.00 N ATOM 543 CA THR A 38 -4.025 -8.410 9.681 1.00 1.00 C ATOM 544 C THR A 38 -3.393 -7.077 9.314 1.00 1.00 C ATOM 545 O THR A 38 -2.563 -6.996 8.410 1.00 1.00 O ATOM 546 CB THR A 38 -3.228 -9.021 10.837 1.00 1.00 C ATOM 547 OG1 THR A 38 -1.859 -9.095 10.472 1.00 1.00 O ATOM 548 CG2 THR A 38 -3.749 -10.417 11.152 1.00 1.00 C ATOM 0 H THR A 38 -3.193 -9.273 7.942 1.00 1.00 H new ATOM 0 HA THR A 38 -5.061 -8.253 9.982 1.00 1.00 H new ATOM 0 HB THR A 38 -3.340 -8.395 11.722 1.00 1.00 H new ATOM 0 HG1 THR A 38 -1.344 -9.484 11.210 1.00 1.00 H new ATOM 0 HG21 THR A 38 -3.175 -10.842 11.975 1.00 1.00 H new ATOM 0 HG22 THR A 38 -4.800 -10.358 11.435 1.00 1.00 H new ATOM 0 HG23 THR A 38 -3.645 -11.051 10.272 1.00 1.00 H new ATOM 556 N SER A 39 -3.774 -6.036 10.048 1.00 1.00 N ATOM 557 CA SER A 39 -3.219 -4.712 9.818 1.00 1.00 C ATOM 558 C SER A 39 -1.750 -4.698 10.232 1.00 1.00 C ATOM 559 O SER A 39 -0.958 -3.909 9.721 1.00 1.00 O ATOM 560 CB SER A 39 -3.994 -3.673 10.632 1.00 1.00 C ATOM 561 OG SER A 39 -3.542 -2.371 10.287 1.00 1.00 O ATOM 0 H SER A 39 -4.460 -6.085 10.801 1.00 1.00 H new ATOM 0 HA SER A 39 -3.301 -4.467 8.759 1.00 1.00 H new ATOM 0 HB2 SER A 39 -5.062 -3.763 10.435 1.00 1.00 H new ATOM 0 HB3 SER A 39 -3.851 -3.849 11.698 1.00 1.00 H new ATOM 0 HG SER A 39 -4.038 -1.704 10.806 1.00 1.00 H new ATOM 567 N GLU A 40 -1.403 -5.588 11.160 1.00 1.00 N ATOM 568 CA GLU A 40 -0.029 -5.691 11.647 1.00 1.00 C ATOM 569 C GLU A 40 0.893 -6.189 10.541 1.00 1.00 C ATOM 570 O GLU A 40 2.064 -5.817 10.483 1.00 1.00 O ATOM 571 CB GLU A 40 0.032 -6.658 12.837 1.00 1.00 C ATOM 572 CG GLU A 40 -0.692 -6.051 14.045 1.00 1.00 C ATOM 573 CD GLU A 40 -2.194 -5.998 13.788 1.00 1.00 C ATOM 574 OE1 GLU A 40 -2.786 -7.052 13.630 1.00 1.00 O ATOM 575 OE2 GLU A 40 -2.729 -4.904 13.753 1.00 1.00 O ATOM 0 H GLU A 40 -2.053 -6.247 11.589 1.00 1.00 H new ATOM 0 HA GLU A 40 0.301 -4.701 11.964 1.00 1.00 H new ATOM 0 HB2 GLU A 40 -0.428 -7.609 12.567 1.00 1.00 H new ATOM 0 HB3 GLU A 40 1.071 -6.867 13.093 1.00 1.00 H new ATOM 0 HG2 GLU A 40 -0.489 -6.645 14.936 1.00 1.00 H new ATOM 0 HG3 GLU A 40 -0.313 -5.047 14.238 1.00 1.00 H new ATOM 582 N GLN A 41 0.366 -7.035 9.666 1.00 1.00 N ATOM 583 CA GLN A 41 1.169 -7.567 8.580 1.00 1.00 C ATOM 584 C GLN A 41 1.680 -6.424 7.708 1.00 1.00 C ATOM 585 O GLN A 41 2.758 -6.513 7.122 1.00 1.00 O ATOM 586 CB GLN A 41 0.332 -8.543 7.746 1.00 1.00 C ATOM 587 CG GLN A 41 1.219 -9.287 6.740 1.00 1.00 C ATOM 588 CD GLN A 41 2.161 -10.245 7.469 1.00 1.00 C ATOM 589 OE1 GLN A 41 3.249 -9.850 7.886 1.00 1.00 O ATOM 590 NE2 GLN A 41 1.799 -11.486 7.651 1.00 1.00 N ATOM 0 H GLN A 41 -0.600 -7.362 9.687 1.00 1.00 H new ATOM 0 HA GLN A 41 2.024 -8.103 8.991 1.00 1.00 H new ATOM 0 HB2 GLN A 41 -0.164 -9.259 8.402 1.00 1.00 H new ATOM 0 HB3 GLN A 41 -0.451 -8.000 7.217 1.00 1.00 H new ATOM 0 HG2 GLN A 41 0.597 -9.842 6.038 1.00 1.00 H new ATOM 0 HG3 GLN A 41 1.798 -8.571 6.156 1.00 1.00 H new ATOM 0 HE21 GLN A 41 0.896 -11.810 7.304 1.00 1.00 H new ATOM 0 HE22 GLN A 41 2.419 -12.132 8.140 1.00 1.00 H new ATOM 599 N ILE A 42 0.906 -5.344 7.643 1.00 1.00 N ATOM 600 CA ILE A 42 1.287 -4.167 6.863 1.00 1.00 C ATOM 601 C ILE A 42 2.339 -3.351 7.598 1.00 1.00 C ATOM 602 O ILE A 42 3.148 -2.661 6.978 1.00 1.00 O ATOM 603 CB ILE A 42 0.050 -3.294 6.600 1.00 1.00 C ATOM 604 CG1 ILE A 42 -1.043 -4.130 5.900 1.00 1.00 C ATOM 605 CG2 ILE A 42 0.434 -2.093 5.728 1.00 1.00 C ATOM 606 CD1 ILE A 42 -0.541 -4.705 4.565 1.00 1.00 C ATOM 0 H ILE A 42 0.009 -5.258 8.122 1.00 1.00 H new ATOM 0 HA ILE A 42 1.706 -4.503 5.915 1.00 1.00 H new ATOM 0 HB ILE A 42 -0.338 -2.929 7.551 1.00 1.00 H new ATOM 0 HG12 ILE A 42 -1.355 -4.944 6.554 1.00 1.00 H new ATOM 0 HG13 ILE A 42 -1.921 -3.509 5.723 1.00 1.00 H new ATOM 0 HG21 ILE A 42 -0.448 -1.479 5.546 1.00 1.00 H new ATOM 0 HG22 ILE A 42 1.191 -1.499 6.240 1.00 1.00 H new ATOM 0 HG23 ILE A 42 0.833 -2.446 4.777 1.00 1.00 H new ATOM 0 HD11 ILE A 42 -1.335 -5.288 4.098 1.00 1.00 H new ATOM 0 HD12 ILE A 42 -0.253 -3.889 3.903 1.00 1.00 H new ATOM 0 HD13 ILE A 42 0.321 -5.346 4.746 1.00 1.00 H new ATOM 618 N VAL A 43 2.334 -3.440 8.920 1.00 1.00 N ATOM 619 CA VAL A 43 3.306 -2.717 9.728 1.00 1.00 C ATOM 620 C VAL A 43 4.696 -3.319 9.556 1.00 1.00 C ATOM 621 O VAL A 43 5.674 -2.599 9.388 1.00 1.00 O ATOM 622 CB VAL A 43 2.893 -2.775 11.201 1.00 1.00 C ATOM 623 CG1 VAL A 43 3.910 -2.021 12.069 1.00 1.00 C ATOM 624 CG2 VAL A 43 1.509 -2.139 11.356 1.00 1.00 C ATOM 0 H VAL A 43 1.672 -4.002 9.454 1.00 1.00 H new ATOM 0 HA VAL A 43 3.335 -1.678 9.399 1.00 1.00 H new ATOM 0 HB VAL A 43 2.862 -3.815 11.526 1.00 1.00 H new ATOM 0 HG11 VAL A 43 3.604 -2.070 13.114 1.00 1.00 H new ATOM 0 HG12 VAL A 43 4.893 -2.478 11.957 1.00 1.00 H new ATOM 0 HG13 VAL A 43 3.956 -0.979 11.753 1.00 1.00 H new ATOM 0 HG21 VAL A 43 1.207 -2.176 12.403 1.00 1.00 H new ATOM 0 HG22 VAL A 43 1.547 -1.101 11.026 1.00 1.00 H new ATOM 0 HG23 VAL A 43 0.787 -2.687 10.750 1.00 1.00 H new ATOM 634 N SER A 44 4.776 -4.644 9.588 1.00 1.00 N ATOM 635 CA SER A 44 6.062 -5.318 9.428 1.00 1.00 C ATOM 636 C SER A 44 6.578 -5.150 8.007 1.00 1.00 C ATOM 637 O SER A 44 7.759 -4.910 7.791 1.00 1.00 O ATOM 638 CB SER A 44 5.916 -6.806 9.746 1.00 1.00 C ATOM 639 OG SER A 44 4.953 -7.383 8.875 1.00 1.00 O ATOM 0 H SER A 44 3.979 -5.267 9.721 1.00 1.00 H new ATOM 0 HA SER A 44 6.775 -4.868 10.119 1.00 1.00 H new ATOM 0 HB2 SER A 44 6.876 -7.310 9.630 1.00 1.00 H new ATOM 0 HB3 SER A 44 5.610 -6.939 10.784 1.00 1.00 H new ATOM 0 HG SER A 44 4.973 -8.359 8.965 1.00 1.00 H new ATOM 645 N TYR A 45 5.672 -5.287 7.046 1.00 1.00 N ATOM 646 CA TYR A 45 6.037 -5.171 5.634 1.00 1.00 C ATOM 647 C TYR A 45 6.654 -3.796 5.345 1.00 1.00 C ATOM 648 O TYR A 45 7.741 -3.706 4.781 1.00 1.00 O ATOM 649 CB TYR A 45 4.792 -5.404 4.777 1.00 1.00 C ATOM 650 CG TYR A 45 5.168 -5.431 3.310 1.00 1.00 C ATOM 651 CD1 TYR A 45 5.909 -6.508 2.806 1.00 1.00 C ATOM 652 CD2 TYR A 45 4.769 -4.398 2.450 1.00 1.00 C ATOM 653 CE1 TYR A 45 6.251 -6.552 1.448 1.00 1.00 C ATOM 654 CE2 TYR A 45 5.108 -4.445 1.096 1.00 1.00 C ATOM 655 CZ TYR A 45 5.849 -5.519 0.593 1.00 1.00 C ATOM 656 OH TYR A 45 6.180 -5.563 -0.746 1.00 1.00 O ATOM 0 H TYR A 45 4.684 -5.477 7.214 1.00 1.00 H new ATOM 0 HA TYR A 45 6.786 -5.924 5.389 1.00 1.00 H new ATOM 0 HB2 TYR A 45 4.319 -6.346 5.057 1.00 1.00 H new ATOM 0 HB3 TYR A 45 4.063 -4.615 4.959 1.00 1.00 H new ATOM 0 HD1 TYR A 45 6.217 -7.306 3.466 1.00 1.00 H new ATOM 0 HD2 TYR A 45 4.199 -3.565 2.835 1.00 1.00 H new ATOM 0 HE1 TYR A 45 6.824 -7.382 1.061 1.00 1.00 H new ATOM 0 HE2 TYR A 45 4.797 -3.649 0.435 1.00 1.00 H new ATOM 0 HH TYR A 45 6.882 -6.232 -0.888 1.00 1.00 H new ATOM 666 N VAL A 46 5.958 -2.731 5.725 1.00 1.00 N ATOM 667 CA VAL A 46 6.465 -1.381 5.486 1.00 1.00 C ATOM 668 C VAL A 46 7.863 -1.240 6.097 1.00 1.00 C ATOM 669 O VAL A 46 8.751 -0.632 5.497 1.00 1.00 O ATOM 670 CB VAL A 46 5.491 -0.347 6.096 1.00 1.00 C ATOM 671 CG1 VAL A 46 6.132 1.052 6.129 1.00 1.00 C ATOM 672 CG2 VAL A 46 4.207 -0.293 5.254 1.00 1.00 C ATOM 0 H VAL A 46 5.053 -2.772 6.194 1.00 1.00 H new ATOM 0 HA VAL A 46 6.537 -1.199 4.414 1.00 1.00 H new ATOM 0 HB VAL A 46 5.258 -0.652 7.116 1.00 1.00 H new ATOM 0 HG11 VAL A 46 5.429 1.764 6.562 1.00 1.00 H new ATOM 0 HG12 VAL A 46 7.038 1.023 6.734 1.00 1.00 H new ATOM 0 HG13 VAL A 46 6.383 1.361 5.114 1.00 1.00 H new ATOM 0 HG21 VAL A 46 3.520 0.436 5.684 1.00 1.00 H new ATOM 0 HG22 VAL A 46 4.453 -0.001 4.233 1.00 1.00 H new ATOM 0 HG23 VAL A 46 3.735 -1.276 5.247 1.00 1.00 H new ATOM 682 N ARG A 47 8.051 -1.802 7.287 1.00 1.00 N ATOM 683 CA ARG A 47 9.347 -1.729 7.954 1.00 1.00 C ATOM 684 C ARG A 47 10.432 -2.444 7.144 1.00 1.00 C ATOM 685 O ARG A 47 11.563 -1.961 7.063 1.00 1.00 O ATOM 686 CB ARG A 47 9.244 -2.338 9.360 1.00 1.00 C ATOM 687 CG ARG A 47 8.453 -1.396 10.276 1.00 1.00 C ATOM 688 CD ARG A 47 8.249 -2.066 11.635 1.00 1.00 C ATOM 689 NE ARG A 47 9.545 -2.296 12.273 1.00 1.00 N ATOM 690 CZ ARG A 47 10.175 -1.331 12.941 1.00 1.00 C ATOM 691 NH1 ARG A 47 9.615 -0.160 13.079 1.00 1.00 N ATOM 692 NH2 ARG A 47 11.352 -1.559 13.454 1.00 1.00 N ATOM 0 H ARG A 47 7.332 -2.307 7.805 1.00 1.00 H new ATOM 0 HA ARG A 47 9.630 -0.680 8.035 1.00 1.00 H new ATOM 0 HB2 ARG A 47 8.753 -3.310 9.311 1.00 1.00 H new ATOM 0 HB3 ARG A 47 10.241 -2.505 9.768 1.00 1.00 H new ATOM 0 HG2 ARG A 47 8.989 -0.455 10.399 1.00 1.00 H new ATOM 0 HG3 ARG A 47 7.489 -1.158 9.827 1.00 1.00 H new ATOM 0 HD2 ARG A 47 7.627 -1.437 12.271 1.00 1.00 H new ATOM 0 HD3 ARG A 47 7.722 -3.012 11.509 1.00 1.00 H new ATOM 0 HE ARG A 47 9.977 -3.218 12.205 1.00 1.00 H new ATOM 0 HH11 ARG A 47 8.695 0.016 12.675 1.00 1.00 H new ATOM 0 HH12 ARG A 47 10.097 0.579 13.591 1.00 1.00 H new ATOM 0 HH21 ARG A 47 11.788 -2.474 13.343 1.00 1.00 H new ATOM 0 HH22 ARG A 47 11.837 -0.822 13.966 1.00 1.00 H new ATOM 706 N GLU A 48 10.098 -3.586 6.541 1.00 1.00 N ATOM 707 CA GLU A 48 11.087 -4.320 5.744 1.00 1.00 C ATOM 708 C GLU A 48 11.691 -3.409 4.677 1.00 1.00 C ATOM 709 O GLU A 48 12.908 -3.264 4.583 1.00 1.00 O ATOM 710 CB GLU A 48 10.437 -5.537 5.054 1.00 1.00 C ATOM 711 CG GLU A 48 10.079 -6.613 6.081 1.00 1.00 C ATOM 712 CD GLU A 48 9.304 -7.748 5.409 1.00 1.00 C ATOM 713 OE1 GLU A 48 9.188 -7.725 4.192 1.00 1.00 O ATOM 714 OE2 GLU A 48 8.843 -8.623 6.119 1.00 1.00 O ATOM 0 H GLU A 48 9.174 -4.016 6.585 1.00 1.00 H new ATOM 0 HA GLU A 48 11.871 -4.665 6.419 1.00 1.00 H new ATOM 0 HB2 GLU A 48 9.540 -5.223 4.521 1.00 1.00 H new ATOM 0 HB3 GLU A 48 11.121 -5.949 4.312 1.00 1.00 H new ATOM 0 HG2 GLU A 48 10.987 -7.005 6.540 1.00 1.00 H new ATOM 0 HG3 GLU A 48 9.480 -6.178 6.881 1.00 1.00 H new ATOM 721 N LYS A 49 10.820 -2.816 3.863 1.00 1.00 N ATOM 722 CA LYS A 49 11.256 -1.935 2.781 1.00 1.00 C ATOM 723 C LYS A 49 11.562 -0.545 3.327 1.00 1.00 C ATOM 724 O LYS A 49 10.932 -0.084 4.279 1.00 1.00 O ATOM 725 CB LYS A 49 10.159 -1.849 1.707 1.00 1.00 C ATOM 726 CG LYS A 49 9.655 -3.259 1.318 1.00 1.00 C ATOM 727 CD LYS A 49 10.707 -3.995 0.481 1.00 1.00 C ATOM 728 CE LYS A 49 10.186 -5.374 0.083 1.00 1.00 C ATOM 729 NZ LYS A 49 11.208 -6.043 -0.769 1.00 1.00 N ATOM 0 H LYS A 49 9.809 -2.929 3.932 1.00 1.00 H new ATOM 0 HA LYS A 49 12.163 -2.343 2.334 1.00 1.00 H new ATOM 0 HB2 LYS A 49 9.327 -1.251 2.078 1.00 1.00 H new ATOM 0 HB3 LYS A 49 10.548 -1.341 0.824 1.00 1.00 H new ATOM 0 HG2 LYS A 49 9.432 -3.832 2.218 1.00 1.00 H new ATOM 0 HG3 LYS A 49 8.726 -3.176 0.754 1.00 1.00 H new ATOM 0 HD2 LYS A 49 10.944 -3.415 -0.411 1.00 1.00 H new ATOM 0 HD3 LYS A 49 11.631 -4.097 1.050 1.00 1.00 H new ATOM 0 HE2 LYS A 49 9.984 -5.973 0.971 1.00 1.00 H new ATOM 0 HE3 LYS A 49 9.245 -5.280 -0.459 1.00 1.00 H new ATOM 0 HZ1 LYS A 49 10.865 -6.985 -1.048 1.00 1.00 H new ATOM 0 HZ2 LYS A 49 11.379 -5.471 -1.621 1.00 1.00 H new ATOM 0 HZ3 LYS A 49 12.095 -6.141 -0.235 1.00 1.00 H new ATOM 743 N GLN A 50 12.552 0.114 2.721 1.00 1.00 N ATOM 744 CA GLN A 50 12.975 1.455 3.150 1.00 1.00 C ATOM 745 C GLN A 50 12.338 2.543 2.292 1.00 1.00 C ATOM 746 O GLN A 50 11.610 2.257 1.341 1.00 1.00 O ATOM 747 CB GLN A 50 14.508 1.559 3.079 1.00 1.00 C ATOM 748 CG GLN A 50 14.990 1.396 1.631 1.00 1.00 C ATOM 749 CD GLN A 50 16.514 1.351 1.592 1.00 1.00 C ATOM 750 OE1 GLN A 50 17.113 0.300 1.821 1.00 1.00 O ATOM 751 NE2 GLN A 50 17.184 2.440 1.320 1.00 1.00 N ATOM 0 H GLN A 50 13.078 -0.257 1.930 1.00 1.00 H new ATOM 0 HA GLN A 50 12.643 1.605 4.177 1.00 1.00 H new ATOM 0 HB2 GLN A 50 14.832 2.524 3.470 1.00 1.00 H new ATOM 0 HB3 GLN A 50 14.960 0.792 3.708 1.00 1.00 H new ATOM 0 HG2 GLN A 50 14.580 0.481 1.203 1.00 1.00 H new ATOM 0 HG3 GLN A 50 14.626 2.224 1.022 1.00 1.00 H new ATOM 0 HE21 GLN A 50 16.687 3.310 1.130 1.00 1.00 H new ATOM 0 HE22 GLN A 50 18.204 2.419 1.297 1.00 1.00 H new ATOM 760 N ALA A 51 12.627 3.792 2.643 1.00 1.00 N ATOM 761 CA ALA A 51 12.085 4.927 1.908 1.00 1.00 C ATOM 762 C ALA A 51 12.621 4.930 0.479 1.00 1.00 C ATOM 763 O ALA A 51 13.808 4.704 0.255 1.00 1.00 O ATOM 764 CB ALA A 51 12.472 6.235 2.606 1.00 1.00 C ATOM 0 H ALA A 51 13.230 4.042 3.427 1.00 1.00 H new ATOM 0 HA ALA A 51 10.999 4.842 1.882 1.00 1.00 H new ATOM 0 HB1 ALA A 51 12.063 7.079 2.050 1.00 1.00 H new ATOM 0 HB2 ALA A 51 12.071 6.239 3.619 1.00 1.00 H new ATOM 0 HB3 ALA A 51 13.558 6.319 2.646 1.00 1.00 H new ATOM 770 N GLY A 52 11.734 5.180 -0.489 1.00 1.00 N ATOM 771 CA GLY A 52 12.121 5.207 -1.907 1.00 1.00 C ATOM 772 C GLY A 52 11.887 3.844 -2.557 1.00 1.00 C ATOM 773 O GLY A 52 12.089 3.677 -3.760 1.00 1.00 O ATOM 0 H GLY A 52 10.746 5.366 -0.320 1.00 1.00 H new ATOM 0 HA2 GLY A 52 11.545 5.969 -2.432 1.00 1.00 H new ATOM 0 HA3 GLY A 52 13.172 5.483 -1.997 1.00 1.00 H new ATOM 777 N ASP A 53 11.462 2.871 -1.749 1.00 1.00 N ATOM 778 CA ASP A 53 11.207 1.520 -2.253 1.00 1.00 C ATOM 779 C ASP A 53 9.925 1.477 -3.077 1.00 1.00 C ATOM 780 O ASP A 53 9.158 2.431 -3.103 1.00 1.00 O ATOM 781 CB ASP A 53 11.107 0.521 -1.101 1.00 1.00 C ATOM 782 CG ASP A 53 10.989 -0.891 -1.664 1.00 1.00 C ATOM 783 OD1 ASP A 53 11.968 -1.372 -2.214 1.00 1.00 O ATOM 784 OD2 ASP A 53 9.931 -1.472 -1.528 1.00 1.00 O ATOM 0 H ASP A 53 11.288 2.991 -0.751 1.00 1.00 H new ATOM 0 HA ASP A 53 12.046 1.244 -2.892 1.00 1.00 H new ATOM 0 HB2 ASP A 53 11.987 0.597 -0.462 1.00 1.00 H new ATOM 0 HB3 ASP A 53 10.241 0.750 -0.480 1.00 1.00 H new ATOM 789 N ARG A 54 9.704 0.343 -3.746 1.00 1.00 N ATOM 790 CA ARG A 54 8.517 0.138 -4.592 1.00 1.00 C ATOM 791 C ARG A 54 7.961 -1.266 -4.386 1.00 1.00 C ATOM 792 O ARG A 54 8.703 -2.247 -4.395 1.00 1.00 O ATOM 793 CB ARG A 54 8.886 0.351 -6.073 1.00 1.00 C ATOM 794 CG ARG A 54 10.168 -0.414 -6.403 1.00 1.00 C ATOM 795 CD ARG A 54 10.526 -0.199 -7.870 1.00 1.00 C ATOM 796 NE ARG A 54 11.771 -0.905 -8.186 1.00 1.00 N ATOM 797 CZ ARG A 54 11.783 -2.204 -8.494 1.00 1.00 C ATOM 798 NH1 ARG A 54 10.669 -2.883 -8.513 1.00 1.00 N ATOM 799 NH2 ARG A 54 12.913 -2.797 -8.773 1.00 1.00 N ATOM 0 H ARG A 54 10.336 -0.457 -3.720 1.00 1.00 H new ATOM 0 HA ARG A 54 7.752 0.861 -4.310 1.00 1.00 H new ATOM 0 HB2 ARG A 54 8.073 0.009 -6.713 1.00 1.00 H new ATOM 0 HB3 ARG A 54 9.024 1.413 -6.274 1.00 1.00 H new ATOM 0 HG2 ARG A 54 10.983 -0.072 -5.765 1.00 1.00 H new ATOM 0 HG3 ARG A 54 10.032 -1.477 -6.203 1.00 1.00 H new ATOM 0 HD2 ARG A 54 9.720 -0.562 -8.507 1.00 1.00 H new ATOM 0 HD3 ARG A 54 10.639 0.866 -8.074 1.00 1.00 H new ATOM 0 HE ARG A 54 12.651 -0.390 -8.170 1.00 1.00 H new ATOM 0 HH11 ARG A 54 9.787 -2.421 -8.292 1.00 1.00 H new ATOM 0 HH12 ARG A 54 10.681 -3.875 -8.749 1.00 1.00 H new ATOM 0 HH21 ARG A 54 13.785 -2.268 -8.755 1.00 1.00 H new ATOM 0 HH22 ARG A 54 12.924 -3.789 -9.008 1.00 1.00 H new ATOM 813 N VAL A 55 6.647 -1.344 -4.175 1.00 1.00 N ATOM 814 CA VAL A 55 5.979 -2.630 -3.938 1.00 1.00 C ATOM 815 C VAL A 55 4.669 -2.745 -4.721 1.00 1.00 C ATOM 816 O VAL A 55 3.819 -1.852 -4.702 1.00 1.00 O ATOM 817 CB VAL A 55 5.710 -2.801 -2.431 1.00 1.00 C ATOM 818 CG1 VAL A 55 7.027 -3.071 -1.706 1.00 1.00 C ATOM 819 CG2 VAL A 55 5.083 -1.520 -1.878 1.00 1.00 C ATOM 0 H VAL A 55 6.023 -0.537 -4.163 1.00 1.00 H new ATOM 0 HA VAL A 55 6.640 -3.422 -4.289 1.00 1.00 H new ATOM 0 HB VAL A 55 5.030 -3.638 -2.277 1.00 1.00 H new ATOM 0 HG11 VAL A 55 6.837 -3.192 -0.640 1.00 1.00 H new ATOM 0 HG12 VAL A 55 7.479 -3.981 -2.100 1.00 1.00 H new ATOM 0 HG13 VAL A 55 7.706 -2.233 -1.861 1.00 1.00 H new ATOM 0 HG21 VAL A 55 4.892 -1.639 -0.812 1.00 1.00 H new ATOM 0 HG22 VAL A 55 5.766 -0.684 -2.033 1.00 1.00 H new ATOM 0 HG23 VAL A 55 4.144 -1.322 -2.395 1.00 1.00 H new ATOM 829 N ARG A 56 4.534 -3.877 -5.389 1.00 1.00 N ATOM 830 CA ARG A 56 3.347 -4.182 -6.179 1.00 1.00 C ATOM 831 C ARG A 56 2.217 -4.554 -5.233 1.00 1.00 C ATOM 832 O ARG A 56 2.251 -5.602 -4.595 1.00 1.00 O ATOM 833 CB ARG A 56 3.640 -5.352 -7.131 1.00 1.00 C ATOM 834 CG ARG A 56 4.935 -5.088 -7.919 1.00 1.00 C ATOM 835 CD ARG A 56 4.793 -3.830 -8.787 1.00 1.00 C ATOM 836 NE ARG A 56 5.861 -3.785 -9.782 1.00 1.00 N ATOM 837 CZ ARG A 56 5.803 -4.515 -10.894 1.00 1.00 C ATOM 838 NH1 ARG A 56 4.792 -5.314 -11.097 1.00 1.00 N ATOM 839 NH2 ARG A 56 6.760 -4.433 -11.777 1.00 1.00 N ATOM 0 H ARG A 56 5.241 -4.612 -5.401 1.00 1.00 H new ATOM 0 HA ARG A 56 3.062 -3.313 -6.773 1.00 1.00 H new ATOM 0 HB2 ARG A 56 3.734 -6.277 -6.563 1.00 1.00 H new ATOM 0 HB3 ARG A 56 2.807 -5.485 -7.821 1.00 1.00 H new ATOM 0 HG2 ARG A 56 5.769 -4.967 -7.228 1.00 1.00 H new ATOM 0 HG3 ARG A 56 5.165 -5.947 -8.549 1.00 1.00 H new ATOM 0 HD2 ARG A 56 3.823 -3.829 -9.283 1.00 1.00 H new ATOM 0 HD3 ARG A 56 4.832 -2.939 -8.160 1.00 1.00 H new ATOM 0 HE ARG A 56 6.668 -3.182 -9.622 1.00 1.00 H new ATOM 0 HH11 ARG A 56 4.046 -5.379 -10.404 1.00 1.00 H new ATOM 0 HH12 ARG A 56 4.747 -5.873 -11.949 1.00 1.00 H new ATOM 0 HH21 ARG A 56 7.551 -3.810 -11.615 1.00 1.00 H new ATOM 0 HH22 ARG A 56 6.717 -4.992 -12.629 1.00 1.00 H new ATOM 853 N VAL A 57 1.227 -3.666 -5.125 1.00 1.00 N ATOM 854 CA VAL A 57 0.089 -3.880 -4.220 1.00 1.00 C ATOM 855 C VAL A 57 -1.115 -4.394 -4.993 1.00 1.00 C ATOM 856 O VAL A 57 -1.411 -3.913 -6.069 1.00 1.00 O ATOM 857 CB VAL A 57 -0.258 -2.555 -3.516 1.00 1.00 C ATOM 858 CG1 VAL A 57 -1.571 -2.696 -2.715 1.00 1.00 C ATOM 859 CG2 VAL A 57 0.893 -2.180 -2.569 1.00 1.00 C ATOM 0 H VAL A 57 1.187 -2.793 -5.650 1.00 1.00 H new ATOM 0 HA VAL A 57 0.361 -4.627 -3.474 1.00 1.00 H new ATOM 0 HB VAL A 57 -0.395 -1.774 -4.264 1.00 1.00 H new ATOM 0 HG11 VAL A 57 -1.801 -1.750 -2.224 1.00 1.00 H new ATOM 0 HG12 VAL A 57 -2.383 -2.961 -3.392 1.00 1.00 H new ATOM 0 HG13 VAL A 57 -1.456 -3.477 -1.963 1.00 1.00 H new ATOM 0 HG21 VAL A 57 0.658 -1.243 -2.065 1.00 1.00 H new ATOM 0 HG22 VAL A 57 1.026 -2.968 -1.828 1.00 1.00 H new ATOM 0 HG23 VAL A 57 1.813 -2.063 -3.142 1.00 1.00 H new ATOM 869 N THR A 58 -1.813 -5.371 -4.414 1.00 1.00 N ATOM 870 CA THR A 58 -3.014 -5.955 -5.035 1.00 1.00 C ATOM 871 C THR A 58 -4.256 -5.484 -4.287 1.00 1.00 C ATOM 872 O THR A 58 -4.251 -5.412 -3.056 1.00 1.00 O ATOM 873 CB THR A 58 -2.933 -7.486 -4.970 1.00 1.00 C ATOM 874 OG1 THR A 58 -1.708 -7.917 -5.547 1.00 1.00 O ATOM 875 CG2 THR A 58 -4.105 -8.102 -5.734 1.00 1.00 C ATOM 0 H THR A 58 -1.570 -5.780 -3.512 1.00 1.00 H new ATOM 0 HA THR A 58 -3.072 -5.636 -6.076 1.00 1.00 H new ATOM 0 HB THR A 58 -2.980 -7.806 -3.929 1.00 1.00 H new ATOM 0 HG1 THR A 58 -1.653 -8.895 -5.505 1.00 1.00 H new ATOM 0 HG21 THR A 58 -4.041 -9.189 -5.684 1.00 1.00 H new ATOM 0 HG22 THR A 58 -5.043 -7.773 -5.288 1.00 1.00 H new ATOM 0 HG23 THR A 58 -4.067 -7.784 -6.776 1.00 1.00 H new ATOM 883 N PHE A 59 -5.333 -5.193 -5.024 1.00 1.00 N ATOM 884 CA PHE A 59 -6.591 -4.763 -4.391 1.00 1.00 C ATOM 885 C PHE A 59 -7.785 -5.229 -5.240 1.00 1.00 C ATOM 886 O PHE A 59 -7.648 -5.418 -6.447 1.00 1.00 O ATOM 887 CB PHE A 59 -6.625 -3.231 -4.245 1.00 1.00 C ATOM 888 CG PHE A 59 -6.840 -2.568 -5.601 1.00 1.00 C ATOM 889 CD1 PHE A 59 -5.745 -2.231 -6.410 1.00 1.00 C ATOM 890 CD2 PHE A 59 -8.144 -2.291 -6.046 1.00 1.00 C ATOM 891 CE1 PHE A 59 -5.955 -1.621 -7.654 1.00 1.00 C ATOM 892 CE2 PHE A 59 -8.348 -1.680 -7.284 1.00 1.00 C ATOM 893 CZ PHE A 59 -7.255 -1.344 -8.089 1.00 1.00 C ATOM 0 H PHE A 59 -5.364 -5.245 -6.042 1.00 1.00 H new ATOM 0 HA PHE A 59 -6.653 -5.210 -3.399 1.00 1.00 H new ATOM 0 HB2 PHE A 59 -7.424 -2.943 -3.562 1.00 1.00 H new ATOM 0 HB3 PHE A 59 -5.690 -2.881 -3.807 1.00 1.00 H new ATOM 0 HD1 PHE A 59 -4.740 -2.442 -6.074 1.00 1.00 H new ATOM 0 HD2 PHE A 59 -8.991 -2.552 -5.428 1.00 1.00 H new ATOM 0 HE1 PHE A 59 -5.112 -1.364 -8.278 1.00 1.00 H new ATOM 0 HE2 PHE A 59 -9.352 -1.466 -7.621 1.00 1.00 H new ATOM 0 HZ PHE A 59 -7.415 -0.871 -9.047 1.00 1.00 H new ATOM 903 N ILE A 60 -8.944 -5.435 -4.592 1.00 1.00 N ATOM 904 CA ILE A 60 -10.158 -5.910 -5.288 1.00 1.00 C ATOM 905 C ILE A 60 -11.194 -4.799 -5.433 1.00 1.00 C ATOM 906 O ILE A 60 -11.490 -4.066 -4.493 1.00 1.00 O ATOM 907 CB ILE A 60 -10.762 -7.123 -4.515 1.00 1.00 C ATOM 908 CG1 ILE A 60 -10.100 -8.432 -5.003 1.00 1.00 C ATOM 909 CG2 ILE A 60 -12.291 -7.231 -4.732 1.00 1.00 C ATOM 910 CD1 ILE A 60 -8.569 -8.338 -4.899 1.00 1.00 C ATOM 0 H ILE A 60 -9.069 -5.282 -3.591 1.00 1.00 H new ATOM 0 HA ILE A 60 -9.876 -6.224 -6.293 1.00 1.00 H new ATOM 0 HB ILE A 60 -10.570 -6.968 -3.453 1.00 1.00 H new ATOM 0 HG12 ILE A 60 -10.459 -9.271 -4.407 1.00 1.00 H new ATOM 0 HG13 ILE A 60 -10.388 -8.628 -6.036 1.00 1.00 H new ATOM 0 HG21 ILE A 60 -12.677 -8.087 -4.179 1.00 1.00 H new ATOM 0 HG22 ILE A 60 -12.774 -6.321 -4.376 1.00 1.00 H new ATOM 0 HG23 ILE A 60 -12.499 -7.361 -5.794 1.00 1.00 H new ATOM 0 HD11 ILE A 60 -8.123 -9.269 -5.247 1.00 1.00 H new ATOM 0 HD12 ILE A 60 -8.212 -7.512 -5.515 1.00 1.00 H new ATOM 0 HD13 ILE A 60 -8.285 -8.165 -3.861 1.00 1.00 H new ATOM 922 N ARG A 61 -11.761 -4.724 -6.638 1.00 1.00 N ATOM 923 CA ARG A 61 -12.804 -3.751 -6.954 1.00 1.00 C ATOM 924 C ARG A 61 -13.863 -4.404 -7.846 1.00 1.00 C ATOM 925 O ARG A 61 -13.568 -4.888 -8.923 1.00 1.00 O ATOM 926 CB ARG A 61 -12.173 -2.527 -7.631 1.00 1.00 C ATOM 927 CG ARG A 61 -13.264 -1.588 -8.178 1.00 1.00 C ATOM 928 CD ARG A 61 -12.642 -0.253 -8.600 1.00 1.00 C ATOM 929 NE ARG A 61 -12.260 0.501 -7.409 1.00 1.00 N ATOM 930 CZ ARG A 61 -13.182 1.082 -6.643 1.00 1.00 C ATOM 931 NH1 ARG A 61 -14.444 1.008 -6.974 1.00 1.00 N ATOM 932 NH2 ARG A 61 -12.828 1.720 -5.563 1.00 1.00 N ATOM 0 H ARG A 61 -11.511 -5.333 -7.417 1.00 1.00 H new ATOM 0 HA ARG A 61 -13.295 -3.417 -6.040 1.00 1.00 H new ATOM 0 HB2 ARG A 61 -11.549 -1.991 -6.916 1.00 1.00 H new ATOM 0 HB3 ARG A 61 -11.522 -2.849 -8.444 1.00 1.00 H new ATOM 0 HG2 ARG A 61 -13.762 -2.052 -9.029 1.00 1.00 H new ATOM 0 HG3 ARG A 61 -14.026 -1.419 -7.417 1.00 1.00 H new ATOM 0 HD2 ARG A 61 -11.769 -0.428 -9.229 1.00 1.00 H new ATOM 0 HD3 ARG A 61 -13.353 0.320 -9.195 1.00 1.00 H new ATOM 0 HE ARG A 61 -11.274 0.584 -7.160 1.00 1.00 H new ATOM 0 HH11 ARG A 61 -14.721 0.506 -7.817 1.00 1.00 H new ATOM 0 HH12 ARG A 61 -15.152 1.452 -6.389 1.00 1.00 H new ATOM 0 HH21 ARG A 61 -11.843 1.775 -5.303 1.00 1.00 H new ATOM 0 HH22 ARG A 61 -13.536 2.164 -4.978 1.00 1.00 H new ATOM 946 N ASP A 62 -15.102 -4.390 -7.372 1.00 1.00 N ATOM 947 CA ASP A 62 -16.221 -4.966 -8.120 1.00 1.00 C ATOM 948 C ASP A 62 -15.851 -6.345 -8.669 1.00 1.00 C ATOM 949 O ASP A 62 -16.050 -6.610 -9.851 1.00 1.00 O ATOM 950 CB ASP A 62 -16.600 -4.049 -9.294 1.00 1.00 C ATOM 951 CG ASP A 62 -17.210 -2.749 -8.784 1.00 1.00 C ATOM 952 OD1 ASP A 62 -17.556 -2.695 -7.615 1.00 1.00 O ATOM 953 OD2 ASP A 62 -17.327 -1.829 -9.574 1.00 1.00 O ATOM 0 H ASP A 62 -15.362 -3.986 -6.472 1.00 1.00 H new ATOM 0 HA ASP A 62 -17.066 -5.064 -7.439 1.00 1.00 H new ATOM 0 HB2 ASP A 62 -15.716 -3.832 -9.893 1.00 1.00 H new ATOM 0 HB3 ASP A 62 -17.309 -4.559 -9.946 1.00 1.00 H new ATOM 958 N ARG A 63 -15.308 -7.196 -7.808 1.00 1.00 N ATOM 959 CA ARG A 63 -14.901 -8.548 -8.190 1.00 1.00 C ATOM 960 C ARG A 63 -13.772 -8.530 -9.223 1.00 1.00 C ATOM 961 O ARG A 63 -13.420 -9.573 -9.779 1.00 1.00 O ATOM 962 CB ARG A 63 -16.094 -9.345 -8.735 1.00 1.00 C ATOM 963 CG ARG A 63 -17.149 -9.497 -7.640 1.00 1.00 C ATOM 964 CD ARG A 63 -18.348 -10.271 -8.191 1.00 1.00 C ATOM 965 NE ARG A 63 -19.372 -10.408 -7.155 1.00 1.00 N ATOM 966 CZ ARG A 63 -20.225 -9.420 -6.886 1.00 1.00 C ATOM 967 NH1 ARG A 63 -20.164 -8.307 -7.564 1.00 1.00 N ATOM 968 NH2 ARG A 63 -21.117 -9.566 -5.946 1.00 1.00 N ATOM 0 H ARG A 63 -15.136 -6.973 -6.828 1.00 1.00 H new ATOM 0 HA ARG A 63 -14.529 -9.036 -7.289 1.00 1.00 H new ATOM 0 HB2 ARG A 63 -16.522 -8.835 -9.598 1.00 1.00 H new ATOM 0 HB3 ARG A 63 -15.764 -10.326 -9.076 1.00 1.00 H new ATOM 0 HG2 ARG A 63 -16.726 -10.022 -6.783 1.00 1.00 H new ATOM 0 HG3 ARG A 63 -17.467 -8.516 -7.288 1.00 1.00 H new ATOM 0 HD2 ARG A 63 -18.761 -9.752 -9.056 1.00 1.00 H new ATOM 0 HD3 ARG A 63 -18.030 -11.256 -8.533 1.00 1.00 H new ATOM 0 HE ARG A 63 -19.434 -11.279 -6.627 1.00 1.00 H new ATOM 0 HH11 ARG A 63 -19.465 -8.195 -8.298 1.00 1.00 H new ATOM 0 HH12 ARG A 63 -20.816 -7.549 -7.360 1.00 1.00 H new ATOM 0 HH21 ARG A 63 -21.162 -10.437 -5.416 1.00 1.00 H new ATOM 0 HH22 ARG A 63 -21.770 -8.810 -5.740 1.00 1.00 H new ATOM 982 N LYS A 64 -13.198 -7.340 -9.475 1.00 1.00 N ATOM 983 CA LYS A 64 -12.100 -7.196 -10.440 1.00 1.00 C ATOM 984 C LYS A 64 -10.814 -6.792 -9.733 1.00 1.00 C ATOM 985 O LYS A 64 -10.672 -5.654 -9.295 1.00 1.00 O ATOM 986 CB LYS A 64 -12.455 -6.103 -11.461 1.00 1.00 C ATOM 987 CG LYS A 64 -13.745 -6.467 -12.238 1.00 1.00 C ATOM 988 CD LYS A 64 -14.391 -5.198 -12.845 1.00 1.00 C ATOM 989 CE LYS A 64 -13.341 -4.353 -13.581 1.00 1.00 C ATOM 990 NZ LYS A 64 -14.028 -3.360 -14.456 1.00 1.00 N ATOM 0 H LYS A 64 -13.477 -6.469 -9.024 1.00 1.00 H new ATOM 0 HA LYS A 64 -11.954 -8.154 -10.939 1.00 1.00 H new ATOM 0 HB2 LYS A 64 -12.592 -5.151 -10.948 1.00 1.00 H new ATOM 0 HB3 LYS A 64 -11.630 -5.972 -12.161 1.00 1.00 H new ATOM 0 HG2 LYS A 64 -13.510 -7.177 -13.031 1.00 1.00 H new ATOM 0 HG3 LYS A 64 -14.452 -6.958 -11.570 1.00 1.00 H new ATOM 0 HD2 LYS A 64 -15.185 -5.483 -13.536 1.00 1.00 H new ATOM 0 HD3 LYS A 64 -14.853 -4.606 -12.055 1.00 1.00 H new ATOM 0 HE2 LYS A 64 -12.702 -3.840 -12.862 1.00 1.00 H new ATOM 0 HE3 LYS A 64 -12.695 -4.996 -14.179 1.00 1.00 H new ATOM 0 HZ1 LYS A 64 -13.318 -2.787 -14.955 1.00 1.00 H new ATOM 0 HZ2 LYS A 64 -14.620 -3.860 -15.150 1.00 1.00 H new ATOM 0 HZ3 LYS A 64 -14.626 -2.740 -13.874 1.00 1.00 H new ATOM 1004 N GLN A 65 -9.891 -7.741 -9.605 1.00 1.00 N ATOM 1005 CA GLN A 65 -8.616 -7.497 -8.943 1.00 1.00 C ATOM 1006 C GLN A 65 -7.641 -6.791 -9.872 1.00 1.00 C ATOM 1007 O GLN A 65 -7.639 -7.018 -11.083 1.00 1.00 O ATOM 1008 CB GLN A 65 -8.029 -8.835 -8.473 1.00 1.00 C ATOM 1009 CG GLN A 65 -7.699 -9.742 -9.683 1.00 1.00 C ATOM 1010 CD GLN A 65 -6.354 -9.353 -10.300 1.00 1.00 C ATOM 1011 OE1 GLN A 65 -6.241 -9.264 -11.595 1.00 1.00 O flip ATOM 1012 NE2 GLN A 65 -5.386 -9.122 -9.575 1.00 1.00 N flip ATOM 0 H GLN A 65 -10.005 -8.692 -9.954 1.00 1.00 H new ATOM 0 HA GLN A 65 -8.784 -6.847 -8.085 1.00 1.00 H new ATOM 0 HB2 GLN A 65 -7.126 -8.657 -7.889 1.00 1.00 H new ATOM 0 HB3 GLN A 65 -8.739 -9.339 -7.817 1.00 1.00 H new ATOM 0 HG2 GLN A 65 -7.671 -10.784 -9.365 1.00 1.00 H new ATOM 0 HG3 GLN A 65 -8.486 -9.658 -10.432 1.00 1.00 H new ATOM 0 HE21 GLN A 65 -5.479 -9.193 -8.562 1.00 1.00 H new ATOM 0 HE22 GLN A 65 -4.491 -8.860 -9.988 1.00 1.00 H new ATOM 1021 N HIS A 66 -6.809 -5.934 -9.286 1.00 1.00 N ATOM 1022 CA HIS A 66 -5.804 -5.183 -10.049 1.00 1.00 C ATOM 1023 C HIS A 66 -4.612 -4.811 -9.166 1.00 1.00 C ATOM 1024 O HIS A 66 -4.761 -4.545 -7.973 1.00 1.00 O ATOM 1025 CB HIS A 66 -6.419 -3.901 -10.611 1.00 1.00 C ATOM 1026 CG HIS A 66 -7.522 -4.236 -11.569 1.00 1.00 C ATOM 1027 ND1 HIS A 66 -7.284 -4.557 -12.894 1.00 1.00 N ATOM 1028 CD2 HIS A 66 -8.878 -4.290 -11.406 1.00 1.00 C ATOM 1029 CE1 HIS A 66 -8.477 -4.787 -13.475 1.00 1.00 C ATOM 1030 NE2 HIS A 66 -9.483 -4.638 -12.610 1.00 1.00 N ATOM 0 H HIS A 66 -6.807 -5.739 -8.285 1.00 1.00 H new ATOM 0 HA HIS A 66 -5.461 -5.820 -10.864 1.00 1.00 H new ATOM 0 HB2 HIS A 66 -6.807 -3.288 -9.798 1.00 1.00 H new ATOM 0 HB3 HIS A 66 -5.654 -3.313 -11.117 1.00 1.00 H new ATOM 0 HD1 HIS A 66 -6.372 -4.610 -13.348 1.00 1.00 H new ATOM 0 HD2 HIS A 66 -9.401 -4.092 -10.482 1.00 1.00 H new ATOM 0 HE1 HIS A 66 -8.604 -5.058 -14.513 1.00 1.00 H new ATOM 1039 N GLU A 67 -3.429 -4.806 -9.780 1.00 1.00 N ATOM 1040 CA GLU A 67 -2.179 -4.477 -9.094 1.00 1.00 C ATOM 1041 C GLU A 67 -1.904 -2.979 -9.177 1.00 1.00 C ATOM 1042 O GLU A 67 -1.959 -2.380 -10.251 1.00 1.00 O ATOM 1043 CB GLU A 67 -1.011 -5.239 -9.741 1.00 1.00 C ATOM 1044 CG GLU A 67 -1.161 -6.744 -9.483 1.00 1.00 C ATOM 1045 CD GLU A 67 -2.338 -7.298 -10.281 1.00 1.00 C ATOM 1046 OE1 GLU A 67 -2.558 -6.821 -11.382 1.00 1.00 O ATOM 1047 OE2 GLU A 67 -2.996 -8.195 -9.781 1.00 1.00 O ATOM 0 H GLU A 67 -3.310 -5.030 -10.768 1.00 1.00 H new ATOM 0 HA GLU A 67 -2.274 -4.767 -8.048 1.00 1.00 H new ATOM 0 HB2 GLU A 67 -0.989 -5.046 -10.813 1.00 1.00 H new ATOM 0 HB3 GLU A 67 -0.064 -4.884 -9.334 1.00 1.00 H new ATOM 0 HG2 GLU A 67 -0.244 -7.262 -9.765 1.00 1.00 H new ATOM 0 HG3 GLU A 67 -1.315 -6.925 -8.419 1.00 1.00 H new ATOM 1054 N ALA A 68 -1.616 -2.389 -8.021 1.00 1.00 N ATOM 1055 CA ALA A 68 -1.338 -0.956 -7.911 1.00 1.00 C ATOM 1056 C ALA A 68 0.130 -0.708 -7.566 1.00 1.00 C ATOM 1057 O ALA A 68 0.670 -1.284 -6.623 1.00 1.00 O ATOM 1058 CB ALA A 68 -2.215 -0.349 -6.814 1.00 1.00 C ATOM 0 H ALA A 68 -1.568 -2.888 -7.133 1.00 1.00 H new ATOM 0 HA ALA A 68 -1.557 -0.491 -8.872 1.00 1.00 H new ATOM 0 HB1 ALA A 68 -2.008 0.718 -6.732 1.00 1.00 H new ATOM 0 HB2 ALA A 68 -3.265 -0.497 -7.065 1.00 1.00 H new ATOM 0 HB3 ALA A 68 -1.997 -0.835 -5.863 1.00 1.00 H new ATOM 1064 N GLU A 69 0.754 0.148 -8.367 1.00 1.00 N ATOM 1065 CA GLU A 69 2.164 0.495 -8.184 1.00 1.00 C ATOM 1066 C GLU A 69 2.304 1.541 -7.077 1.00 1.00 C ATOM 1067 O GLU A 69 2.032 2.722 -7.292 1.00 1.00 O ATOM 1068 CB GLU A 69 2.748 1.054 -9.494 1.00 1.00 C ATOM 1069 CG GLU A 69 4.280 1.174 -9.381 1.00 1.00 C ATOM 1070 CD GLU A 69 4.924 -0.211 -9.385 1.00 1.00 C ATOM 1071 OE1 GLU A 69 4.215 -1.174 -9.631 1.00 1.00 O ATOM 1072 OE2 GLU A 69 6.116 -0.288 -9.139 1.00 1.00 O ATOM 0 H GLU A 69 0.306 0.618 -9.154 1.00 1.00 H new ATOM 0 HA GLU A 69 2.711 -0.405 -7.904 1.00 1.00 H new ATOM 0 HB2 GLU A 69 2.487 0.400 -10.326 1.00 1.00 H new ATOM 0 HB3 GLU A 69 2.314 2.031 -9.708 1.00 1.00 H new ATOM 0 HG2 GLU A 69 4.667 1.765 -10.211 1.00 1.00 H new ATOM 0 HG3 GLU A 69 4.543 1.702 -8.464 1.00 1.00 H new ATOM 1079 N LEU A 70 2.728 1.088 -5.892 1.00 1.00 N ATOM 1080 CA LEU A 70 2.906 1.978 -4.732 1.00 1.00 C ATOM 1081 C LEU A 70 4.381 2.130 -4.389 1.00 1.00 C ATOM 1082 O LEU A 70 5.169 1.195 -4.531 1.00 1.00 O ATOM 1083 CB LEU A 70 2.133 1.406 -3.517 1.00 1.00 C ATOM 1084 CG LEU A 70 0.663 1.894 -3.516 1.00 1.00 C ATOM 1085 CD1 LEU A 70 0.586 3.428 -3.236 1.00 1.00 C ATOM 1086 CD2 LEU A 70 -0.004 1.555 -4.871 1.00 1.00 C ATOM 0 H LEU A 70 2.955 0.111 -5.708 1.00 1.00 H new ATOM 0 HA LEU A 70 2.512 2.963 -4.982 1.00 1.00 H new ATOM 0 HB2 LEU A 70 2.158 0.317 -3.545 1.00 1.00 H new ATOM 0 HB3 LEU A 70 2.623 1.713 -2.593 1.00 1.00 H new ATOM 0 HG LEU A 70 0.126 1.381 -2.718 1.00 1.00 H new ATOM 0 HD11 LEU A 70 -0.456 3.747 -3.240 1.00 1.00 H new ATOM 0 HD12 LEU A 70 1.027 3.643 -2.263 1.00 1.00 H new ATOM 0 HD13 LEU A 70 1.133 3.967 -4.009 1.00 1.00 H new ATOM 0 HD21 LEU A 70 -1.038 1.901 -4.864 1.00 1.00 H new ATOM 0 HD22 LEU A 70 0.538 2.049 -5.677 1.00 1.00 H new ATOM 0 HD23 LEU A 70 0.017 0.476 -5.027 1.00 1.00 H new ATOM 1098 N VAL A 71 4.732 3.334 -3.926 1.00 1.00 N ATOM 1099 CA VAL A 71 6.116 3.658 -3.544 1.00 1.00 C ATOM 1100 C VAL A 71 6.163 4.150 -2.099 1.00 1.00 C ATOM 1101 O VAL A 71 5.361 4.992 -1.689 1.00 1.00 O ATOM 1102 CB VAL A 71 6.693 4.739 -4.497 1.00 1.00 C ATOM 1103 CG1 VAL A 71 6.189 6.149 -4.106 1.00 1.00 C ATOM 1104 CG2 VAL A 71 8.234 4.707 -4.452 1.00 1.00 C ATOM 0 H VAL A 71 4.076 4.105 -3.805 1.00 1.00 H new ATOM 0 HA VAL A 71 6.723 2.757 -3.626 1.00 1.00 H new ATOM 0 HB VAL A 71 6.352 4.520 -5.509 1.00 1.00 H new ATOM 0 HG11 VAL A 71 6.608 6.888 -4.789 1.00 1.00 H new ATOM 0 HG12 VAL A 71 5.101 6.176 -4.165 1.00 1.00 H new ATOM 0 HG13 VAL A 71 6.503 6.378 -3.088 1.00 1.00 H new ATOM 0 HG21 VAL A 71 8.633 5.468 -5.123 1.00 1.00 H new ATOM 0 HG22 VAL A 71 8.573 4.906 -3.435 1.00 1.00 H new ATOM 0 HG23 VAL A 71 8.587 3.725 -4.766 1.00 1.00 H new ATOM 1114 N LEU A 72 7.093 3.606 -1.336 1.00 1.00 N ATOM 1115 CA LEU A 72 7.228 3.977 0.060 1.00 1.00 C ATOM 1116 C LEU A 72 7.647 5.437 0.186 1.00 1.00 C ATOM 1117 O LEU A 72 8.612 5.875 -0.439 1.00 1.00 O ATOM 1118 CB LEU A 72 8.288 3.067 0.713 1.00 1.00 C ATOM 1119 CG LEU A 72 7.689 1.682 1.055 1.00 1.00 C ATOM 1120 CD1 LEU A 72 6.609 1.794 2.168 1.00 1.00 C ATOM 1121 CD2 LEU A 72 7.083 1.054 -0.218 1.00 1.00 C ATOM 0 H LEU A 72 7.764 2.908 -1.658 1.00 1.00 H new ATOM 0 HA LEU A 72 6.269 3.853 0.563 1.00 1.00 H new ATOM 0 HB2 LEU A 72 9.135 2.945 0.038 1.00 1.00 H new ATOM 0 HB3 LEU A 72 8.669 3.537 1.620 1.00 1.00 H new ATOM 0 HG LEU A 72 8.488 1.043 1.431 1.00 1.00 H new ATOM 0 HD11 LEU A 72 6.207 0.804 2.386 1.00 1.00 H new ATOM 0 HD12 LEU A 72 7.058 2.210 3.070 1.00 1.00 H new ATOM 0 HD13 LEU A 72 5.804 2.446 1.829 1.00 1.00 H new ATOM 0 HD21 LEU A 72 6.661 0.078 0.023 1.00 1.00 H new ATOM 0 HD22 LEU A 72 6.298 1.703 -0.606 1.00 1.00 H new ATOM 0 HD23 LEU A 72 7.862 0.936 -0.972 1.00 1.00 H new ATOM 1133 N LYS A 73 6.896 6.180 1.004 1.00 1.00 N ATOM 1134 CA LYS A 73 7.167 7.600 1.218 1.00 1.00 C ATOM 1135 C LYS A 73 7.060 7.959 2.723 1.00 1.00 C ATOM 1136 O LYS A 73 6.010 7.747 3.328 1.00 1.00 O ATOM 1137 CB LYS A 73 6.165 8.441 0.416 1.00 1.00 C ATOM 1138 CG LYS A 73 6.656 9.899 0.340 1.00 1.00 C ATOM 1139 CD LYS A 73 5.532 10.808 -0.163 1.00 1.00 C ATOM 1140 CE LYS A 73 5.075 10.360 -1.559 1.00 1.00 C ATOM 1141 NZ LYS A 73 4.278 11.449 -2.183 1.00 1.00 N ATOM 0 H LYS A 73 6.098 5.820 1.527 1.00 1.00 H new ATOM 0 HA LYS A 73 8.181 7.815 0.881 1.00 1.00 H new ATOM 0 HB2 LYS A 73 6.053 8.032 -0.588 1.00 1.00 H new ATOM 0 HB3 LYS A 73 5.183 8.402 0.887 1.00 1.00 H new ATOM 0 HG2 LYS A 73 6.989 10.230 1.324 1.00 1.00 H new ATOM 0 HG3 LYS A 73 7.515 9.967 -0.327 1.00 1.00 H new ATOM 0 HD2 LYS A 73 4.692 10.778 0.530 1.00 1.00 H new ATOM 0 HD3 LYS A 73 5.878 11.841 -0.199 1.00 1.00 H new ATOM 0 HE2 LYS A 73 5.939 10.124 -2.180 1.00 1.00 H new ATOM 0 HE3 LYS A 73 4.477 9.451 -1.485 1.00 1.00 H new ATOM 0 HZ1 LYS A 73 3.965 11.152 -3.129 1.00 1.00 H new ATOM 0 HZ2 LYS A 73 3.447 11.653 -1.592 1.00 1.00 H new ATOM 0 HZ3 LYS A 73 4.864 12.305 -2.265 1.00 1.00 H new