USER MOD reduce.3.24.130724 H: found=0, std=0, add=598, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 598 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 LYS NZ :NH3+ -169:sc= -0.846 (180deg=-1.07) USER MOD Set 1.2: A 84 TYR OH : rot 60:sc= -0.28 USER MOD Set 2.1: A 17 THR OG1 : rot -129:sc= 0.925! USER MOD Set 2.2: A 20 SER OG : rot 56:sc= 0.93! USER MOD Single : A 12 CYS SG : rot 60:sc= -2.36 USER MOD Single : A 13 HIS : no HD1:sc= 0 X(o=0,f=-0.0091) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 HIS : no HD1:sc= -4.67! C(o=-4.7!,f=-4.4!) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 105:sc= 0.0145 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot -140:sc=-0.00496 USER MOD Single : A 33 GLN : amide:sc= -1.67 K(o=-1.7,f=-0.23) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ -111:sc= -0.779 (180deg=-5.36!) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 TYR OH : rot 40:sc= -0.26 USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.343 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 62 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 65 GLN : amide:sc= -0.436 X(o=-0.44,f=-0.041) USER MOD Single : A 67 ASN : amide:sc= -1.43 K(o=-1.4,f=-0.46) USER MOD Single : A 82 TYR OH : rot -126:sc= 0.192 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 ASN : amide:sc= -0.346 K(o=-0.35,f=-2.3!) USER MOD ----------------------------------------------------------------- ATOM 96 N ILE A 10 -4.981 -15.841 -1.860 1.00 0.00 N ATOM 97 CA ILE A 10 -3.855 -14.939 -2.029 1.00 0.00 C ATOM 98 C ILE A 10 -4.070 -13.695 -1.165 1.00 0.00 C ATOM 99 O ILE A 10 -5.182 -13.438 -0.706 1.00 0.00 O ATOM 100 CB ILE A 10 -3.636 -14.628 -3.511 1.00 0.00 C ATOM 101 CG1 ILE A 10 -2.167 -14.814 -3.899 1.00 0.00 C ATOM 102 CG2 ILE A 10 -4.147 -13.229 -3.860 1.00 0.00 C ATOM 103 CD1 ILE A 10 -2.026 -15.816 -5.046 1.00 0.00 C ATOM 0 HA ILE A 10 -2.934 -15.410 -1.686 1.00 0.00 H new ATOM 0 HB ILE A 10 -4.218 -15.339 -4.098 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -1.741 -13.855 -4.194 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -1.600 -15.162 -3.035 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -3.979 -13.034 -4.919 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -5.214 -13.167 -3.644 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -3.613 -12.488 -3.265 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -0.973 -15.930 -5.302 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -2.431 -16.780 -4.739 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -2.574 -15.453 -5.916 1.00 0.00 H new ATOM 115 N PHE A 11 -2.988 -12.955 -0.971 1.00 0.00 N ATOM 116 CA PHE A 11 -3.045 -11.743 -0.170 1.00 0.00 C ATOM 117 C PHE A 11 -2.291 -10.600 -0.852 1.00 0.00 C ATOM 118 O PHE A 11 -1.393 -10.837 -1.659 1.00 0.00 O ATOM 119 CB PHE A 11 -2.368 -12.058 1.166 1.00 0.00 C ATOM 120 CG PHE A 11 -3.322 -12.597 2.234 1.00 0.00 C ATOM 121 CD1 PHE A 11 -3.539 -13.935 2.340 1.00 0.00 C ATOM 122 CD2 PHE A 11 -3.953 -11.737 3.078 1.00 0.00 C ATOM 123 CE1 PHE A 11 -4.424 -14.435 3.332 1.00 0.00 C ATOM 124 CE2 PHE A 11 -4.838 -12.236 4.070 1.00 0.00 C ATOM 125 CZ PHE A 11 -5.055 -13.575 4.176 1.00 0.00 C ATOM 0 H PHE A 11 -2.068 -13.171 -1.354 1.00 0.00 H new ATOM 0 HA PHE A 11 -4.081 -11.432 -0.038 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -1.577 -12.789 0.998 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -1.891 -11.153 1.542 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -3.038 -14.618 1.670 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -3.781 -10.674 2.994 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -4.596 -15.498 3.416 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -5.339 -11.553 4.740 1.00 0.00 H new ATOM 0 HZ PHE A 11 -5.728 -13.955 4.930 1.00 0.00 H new ATOM 135 N CYS A 12 -2.685 -9.383 -0.504 1.00 0.00 N ATOM 136 CA CYS A 12 -2.058 -8.202 -1.072 1.00 0.00 C ATOM 137 C CYS A 12 -1.295 -7.481 0.040 1.00 0.00 C ATOM 138 O CYS A 12 -1.893 -6.775 0.851 1.00 0.00 O ATOM 139 CB CYS A 12 -3.082 -7.288 -1.748 1.00 0.00 C ATOM 140 SG CYS A 12 -2.261 -5.769 -2.353 1.00 0.00 S ATOM 0 H CYS A 12 -3.431 -9.190 0.164 1.00 0.00 H new ATOM 0 HA CYS A 12 -1.361 -8.498 -1.856 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -3.556 -7.811 -2.579 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -3.872 -7.028 -1.043 1.00 0.00 H new ATOM 0 HG CYS A 12 -1.337 -6.087 -3.211 1.00 0.00 H new ATOM 146 N HIS A 13 0.014 -7.682 0.043 1.00 0.00 N ATOM 147 CA HIS A 13 0.865 -7.059 1.043 1.00 0.00 C ATOM 148 C HIS A 13 0.962 -5.557 0.770 1.00 0.00 C ATOM 149 O HIS A 13 1.585 -5.138 -0.204 1.00 0.00 O ATOM 150 CB HIS A 13 2.234 -7.742 1.093 1.00 0.00 C ATOM 151 CG HIS A 13 2.204 -9.134 1.676 1.00 0.00 C ATOM 152 ND1 HIS A 13 2.513 -10.263 0.937 1.00 0.00 N ATOM 153 CD2 HIS A 13 1.900 -9.568 2.933 1.00 0.00 C ATOM 154 CE1 HIS A 13 2.396 -11.323 1.723 1.00 0.00 C ATOM 155 NE2 HIS A 13 2.016 -10.890 2.959 1.00 0.00 N ATOM 0 H HIS A 13 0.507 -8.268 -0.631 1.00 0.00 H new ATOM 0 HA HIS A 13 0.424 -7.186 2.032 1.00 0.00 H new ATOM 0 HB2 HIS A 13 2.642 -7.791 0.083 1.00 0.00 H new ATOM 0 HB3 HIS A 13 2.914 -7.127 1.682 1.00 0.00 H new ATOM 0 HD2 HIS A 13 1.614 -8.942 3.765 1.00 0.00 H new ATOM 0 HE1 HIS A 13 2.571 -12.349 1.436 1.00 0.00 H new ATOM 0 HE2 HIS A 13 1.848 -11.485 3.771 1.00 0.00 H new ATOM 163 N VAL A 14 0.337 -4.787 1.649 1.00 0.00 N ATOM 164 CA VAL A 14 0.344 -3.340 1.515 1.00 0.00 C ATOM 165 C VAL A 14 1.272 -2.740 2.573 1.00 0.00 C ATOM 166 O VAL A 14 0.929 -2.696 3.753 1.00 0.00 O ATOM 167 CB VAL A 14 -1.085 -2.799 1.598 1.00 0.00 C ATOM 168 CG1 VAL A 14 -1.107 -1.403 2.223 1.00 0.00 C ATOM 169 CG2 VAL A 14 -1.749 -2.794 0.219 1.00 0.00 C ATOM 0 H VAL A 14 -0.178 -5.138 2.457 1.00 0.00 H new ATOM 0 HA VAL A 14 0.731 -3.049 0.539 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.659 -3.463 2.244 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -2.134 -1.042 2.270 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.692 -1.448 3.230 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.511 -0.723 1.615 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -2.764 -2.405 0.305 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -1.175 -2.163 -0.459 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -1.782 -3.811 -0.173 1.00 0.00 H new ATOM 179 N TYR A 15 2.431 -2.292 2.112 1.00 0.00 N ATOM 180 CA TYR A 15 3.411 -1.696 3.003 1.00 0.00 C ATOM 181 C TYR A 15 3.130 -0.206 3.211 1.00 0.00 C ATOM 182 O TYR A 15 3.173 0.576 2.262 1.00 0.00 O ATOM 183 CB TYR A 15 4.765 -1.854 2.309 1.00 0.00 C ATOM 184 CG TYR A 15 5.415 -3.224 2.517 1.00 0.00 C ATOM 185 CD1 TYR A 15 4.671 -4.374 2.346 1.00 0.00 C ATOM 186 CD2 TYR A 15 6.744 -3.309 2.876 1.00 0.00 C ATOM 187 CE1 TYR A 15 5.282 -5.663 2.542 1.00 0.00 C ATOM 188 CE2 TYR A 15 7.356 -4.599 3.072 1.00 0.00 C ATOM 189 CZ TYR A 15 6.594 -5.712 2.895 1.00 0.00 C ATOM 190 OH TYR A 15 7.172 -6.929 3.080 1.00 0.00 O ATOM 0 H TYR A 15 2.713 -2.330 1.132 1.00 0.00 H new ATOM 0 HA TYR A 15 3.383 -2.179 3.980 1.00 0.00 H new ATOM 0 HB2 TYR A 15 4.636 -1.683 1.240 1.00 0.00 H new ATOM 0 HB3 TYR A 15 5.442 -1.083 2.676 1.00 0.00 H new ATOM 0 HD1 TYR A 15 3.630 -4.307 2.065 1.00 0.00 H new ATOM 0 HD2 TYR A 15 7.326 -2.409 3.010 1.00 0.00 H new ATOM 0 HE1 TYR A 15 4.711 -6.570 2.412 1.00 0.00 H new ATOM 0 HE2 TYR A 15 8.396 -4.680 3.353 1.00 0.00 H new ATOM 0 HH TYR A 15 8.113 -6.810 3.328 1.00 0.00 H new ATOM 200 N ILE A 16 2.847 0.142 4.458 1.00 0.00 N ATOM 201 CA ILE A 16 2.558 1.524 4.802 1.00 0.00 C ATOM 202 C ILE A 16 3.856 2.332 4.780 1.00 0.00 C ATOM 203 O ILE A 16 3.985 3.286 4.014 1.00 0.00 O ATOM 204 CB ILE A 16 1.809 1.599 6.134 1.00 0.00 C ATOM 205 CG1 ILE A 16 0.619 0.636 6.149 1.00 0.00 C ATOM 206 CG2 ILE A 16 1.388 3.036 6.446 1.00 0.00 C ATOM 207 CD1 ILE A 16 0.292 0.192 7.576 1.00 0.00 C ATOM 0 H ILE A 16 2.812 -0.509 5.242 1.00 0.00 H new ATOM 0 HA ILE A 16 1.892 1.970 4.063 1.00 0.00 H new ATOM 0 HB ILE A 16 2.488 1.284 6.926 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -0.251 1.121 5.707 1.00 0.00 H new ATOM 0 HG13 ILE A 16 0.844 -0.236 5.535 1.00 0.00 H new ATOM 0 HG21 ILE A 16 0.858 3.061 7.398 1.00 0.00 H new ATOM 0 HG22 ILE A 16 2.273 3.669 6.507 1.00 0.00 H new ATOM 0 HG23 ILE A 16 0.733 3.403 5.656 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -0.557 -0.491 7.559 1.00 0.00 H new ATOM 0 HD12 ILE A 16 1.156 -0.314 8.007 1.00 0.00 H new ATOM 0 HD13 ILE A 16 0.043 1.064 8.180 1.00 0.00 H new ATOM 219 N THR A 17 4.786 1.921 5.630 1.00 0.00 N ATOM 220 CA THR A 17 6.070 2.595 5.718 1.00 0.00 C ATOM 221 C THR A 17 7.190 1.678 5.222 1.00 0.00 C ATOM 222 O THR A 17 7.048 1.020 4.192 1.00 0.00 O ATOM 223 CB THR A 17 6.262 3.061 7.163 1.00 0.00 C ATOM 224 OG1 THR A 17 6.311 1.851 7.914 1.00 0.00 O ATOM 225 CG2 THR A 17 5.033 3.790 7.711 1.00 0.00 C ATOM 0 H THR A 17 4.676 1.130 6.264 1.00 0.00 H new ATOM 0 HA THR A 17 6.100 3.472 5.071 1.00 0.00 H new ATOM 0 HB THR A 17 7.130 3.718 7.220 1.00 0.00 H new ATOM 0 HG1 THR A 17 5.685 1.907 8.666 1.00 0.00 H new ATOM 0 HG21 THR A 17 5.222 4.099 8.739 1.00 0.00 H new ATOM 0 HG22 THR A 17 4.828 4.669 7.099 1.00 0.00 H new ATOM 0 HG23 THR A 17 4.172 3.122 7.685 1.00 0.00 H new ATOM 233 N GLU A 18 8.278 1.663 5.978 1.00 0.00 N ATOM 234 CA GLU A 18 9.421 0.837 5.628 1.00 0.00 C ATOM 235 C GLU A 18 9.361 -0.496 6.376 1.00 0.00 C ATOM 236 O GLU A 18 9.774 -1.528 5.848 1.00 0.00 O ATOM 237 CB GLU A 18 10.734 1.568 5.914 1.00 0.00 C ATOM 238 CG GLU A 18 10.856 1.915 7.399 1.00 0.00 C ATOM 239 CD GLU A 18 12.263 2.414 7.732 1.00 0.00 C ATOM 240 OE1 GLU A 18 13.212 1.634 7.499 1.00 0.00 O ATOM 241 OE2 GLU A 18 12.359 3.565 8.211 1.00 0.00 O ATOM 0 H GLU A 18 8.392 2.210 6.832 1.00 0.00 H new ATOM 0 HA GLU A 18 9.383 0.633 4.558 1.00 0.00 H new ATOM 0 HB2 GLU A 18 11.575 0.944 5.612 1.00 0.00 H new ATOM 0 HB3 GLU A 18 10.784 2.480 5.319 1.00 0.00 H new ATOM 0 HG2 GLU A 18 10.124 2.680 7.659 1.00 0.00 H new ATOM 0 HG3 GLU A 18 10.626 1.036 8.001 1.00 0.00 H new ATOM 248 N HIS A 19 8.844 -0.432 7.594 1.00 0.00 N ATOM 249 CA HIS A 19 8.725 -1.621 8.421 1.00 0.00 C ATOM 250 C HIS A 19 7.277 -1.780 8.886 1.00 0.00 C ATOM 251 O HIS A 19 7.025 -2.249 9.995 1.00 0.00 O ATOM 252 CB HIS A 19 9.720 -1.577 9.582 1.00 0.00 C ATOM 253 CG HIS A 19 11.154 -1.372 9.156 1.00 0.00 C ATOM 254 ND1 HIS A 19 11.876 -2.331 8.468 1.00 0.00 N ATOM 255 CD2 HIS A 19 11.991 -0.308 9.326 1.00 0.00 C ATOM 256 CE1 HIS A 19 13.092 -1.856 8.240 1.00 0.00 C ATOM 257 NE2 HIS A 19 13.161 -0.602 8.773 1.00 0.00 N ATOM 0 H HIS A 19 8.502 0.425 8.029 1.00 0.00 H new ATOM 0 HA HIS A 19 8.980 -2.504 7.834 1.00 0.00 H new ATOM 0 HB2 HIS A 19 9.435 -0.773 10.261 1.00 0.00 H new ATOM 0 HB3 HIS A 19 9.648 -2.508 10.144 1.00 0.00 H new ATOM 0 HD2 HIS A 19 11.743 0.617 9.826 1.00 0.00 H new ATOM 0 HE1 HIS A 19 13.888 -2.371 7.723 1.00 0.00 H new ATOM 0 HE2 HIS A 19 13.977 0.009 8.750 1.00 0.00 H new ATOM 265 N SER A 20 6.362 -1.380 8.015 1.00 0.00 N ATOM 266 CA SER A 20 4.945 -1.473 8.323 1.00 0.00 C ATOM 267 C SER A 20 4.169 -1.929 7.085 1.00 0.00 C ATOM 268 O SER A 20 4.475 -1.514 5.969 1.00 0.00 O ATOM 269 CB SER A 20 4.402 -0.133 8.825 1.00 0.00 C ATOM 270 OG SER A 20 5.339 0.543 9.659 1.00 0.00 O ATOM 0 H SER A 20 6.574 -0.991 7.096 1.00 0.00 H new ATOM 0 HA SER A 20 4.815 -2.208 9.117 1.00 0.00 H new ATOM 0 HB2 SER A 20 4.153 0.499 7.973 1.00 0.00 H new ATOM 0 HB3 SER A 20 3.478 -0.301 9.379 1.00 0.00 H new ATOM 0 HG SER A 20 6.186 0.652 9.178 1.00 0.00 H new ATOM 276 N TYR A 21 3.180 -2.777 7.326 1.00 0.00 N ATOM 277 CA TYR A 21 2.358 -3.294 6.245 1.00 0.00 C ATOM 278 C TYR A 21 1.017 -3.808 6.773 1.00 0.00 C ATOM 279 O TYR A 21 0.745 -3.727 7.970 1.00 0.00 O ATOM 280 CB TYR A 21 3.139 -4.464 5.644 1.00 0.00 C ATOM 281 CG TYR A 21 2.904 -5.799 6.354 1.00 0.00 C ATOM 282 CD1 TYR A 21 3.400 -6.000 7.626 1.00 0.00 C ATOM 283 CD2 TYR A 21 2.195 -6.801 5.723 1.00 0.00 C ATOM 284 CE1 TYR A 21 3.179 -7.257 8.295 1.00 0.00 C ATOM 285 CE2 TYR A 21 1.974 -8.057 6.392 1.00 0.00 C ATOM 286 CZ TYR A 21 2.477 -8.223 7.644 1.00 0.00 C ATOM 287 OH TYR A 21 2.268 -9.409 8.276 1.00 0.00 O ATOM 0 H TYR A 21 2.929 -3.119 8.254 1.00 0.00 H new ATOM 0 HA TYR A 21 2.148 -2.512 5.515 1.00 0.00 H new ATOM 0 HB2 TYR A 21 2.865 -4.569 4.594 1.00 0.00 H new ATOM 0 HB3 TYR A 21 4.203 -4.231 5.674 1.00 0.00 H new ATOM 0 HD1 TYR A 21 3.954 -5.215 8.120 1.00 0.00 H new ATOM 0 HD2 TYR A 21 1.806 -6.643 4.728 1.00 0.00 H new ATOM 0 HE1 TYR A 21 3.562 -7.428 9.290 1.00 0.00 H new ATOM 0 HE2 TYR A 21 1.421 -8.849 5.910 1.00 0.00 H new ATOM 0 HH TYR A 21 1.751 -10.004 7.693 1.00 0.00 H new ATOM 297 N VAL A 22 0.215 -4.325 5.854 1.00 0.00 N ATOM 298 CA VAL A 22 -1.091 -4.853 6.213 1.00 0.00 C ATOM 299 C VAL A 22 -1.501 -5.920 5.196 1.00 0.00 C ATOM 300 O VAL A 22 -1.313 -5.743 3.994 1.00 0.00 O ATOM 301 CB VAL A 22 -2.104 -3.712 6.323 1.00 0.00 C ATOM 302 CG1 VAL A 22 -2.013 -2.779 5.113 1.00 0.00 C ATOM 303 CG2 VAL A 22 -3.524 -4.254 6.492 1.00 0.00 C ATOM 0 H VAL A 22 0.444 -4.390 4.862 1.00 0.00 H new ATOM 0 HA VAL A 22 -1.054 -5.333 7.191 1.00 0.00 H new ATOM 0 HB VAL A 22 -1.859 -3.131 7.212 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -2.744 -1.977 5.216 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -1.011 -2.353 5.057 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.219 -3.342 4.203 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -4.224 -3.422 6.568 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.783 -4.869 5.631 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.578 -4.857 7.398 1.00 0.00 H new ATOM 313 N SER A 23 -2.054 -7.006 5.717 1.00 0.00 N ATOM 314 CA SER A 23 -2.493 -8.102 4.870 1.00 0.00 C ATOM 315 C SER A 23 -3.939 -7.874 4.427 1.00 0.00 C ATOM 316 O SER A 23 -4.804 -7.573 5.248 1.00 0.00 O ATOM 317 CB SER A 23 -2.365 -9.443 5.595 1.00 0.00 C ATOM 318 OG SER A 23 -3.524 -9.747 6.366 1.00 0.00 O ATOM 0 H SER A 23 -2.208 -7.150 6.715 1.00 0.00 H new ATOM 0 HA SER A 23 -1.851 -8.133 3.990 1.00 0.00 H new ATOM 0 HB2 SER A 23 -2.197 -10.235 4.865 1.00 0.00 H new ATOM 0 HB3 SER A 23 -1.492 -9.420 6.247 1.00 0.00 H new ATOM 0 HG SER A 23 -4.052 -10.432 5.906 1.00 0.00 H new ATOM 324 N VAL A 24 -4.158 -8.027 3.129 1.00 0.00 N ATOM 325 CA VAL A 24 -5.485 -7.842 2.566 1.00 0.00 C ATOM 326 C VAL A 24 -5.848 -9.060 1.715 1.00 0.00 C ATOM 327 O VAL A 24 -5.199 -9.332 0.706 1.00 0.00 O ATOM 328 CB VAL A 24 -5.543 -6.527 1.785 1.00 0.00 C ATOM 329 CG1 VAL A 24 -6.849 -6.417 0.996 1.00 0.00 C ATOM 330 CG2 VAL A 24 -5.362 -5.327 2.717 1.00 0.00 C ATOM 0 H VAL A 24 -3.438 -8.277 2.451 1.00 0.00 H new ATOM 0 HA VAL A 24 -6.229 -7.767 3.359 1.00 0.00 H new ATOM 0 HB VAL A 24 -4.719 -6.523 1.072 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -6.866 -5.474 0.450 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -6.919 -7.246 0.291 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -7.694 -6.453 1.684 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -5.407 -4.405 2.137 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -6.155 -5.324 3.465 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -4.395 -5.395 3.214 1.00 0.00 H new ATOM 340 N LYS A 25 -6.883 -9.761 2.153 1.00 0.00 N ATOM 341 CA LYS A 25 -7.340 -10.944 1.444 1.00 0.00 C ATOM 342 C LYS A 25 -8.236 -10.520 0.279 1.00 0.00 C ATOM 343 O LYS A 25 -9.420 -10.244 0.470 1.00 0.00 O ATOM 344 CB LYS A 25 -8.009 -11.923 2.410 1.00 0.00 C ATOM 345 CG LYS A 25 -8.334 -13.246 1.713 1.00 0.00 C ATOM 346 CD LYS A 25 -7.752 -14.431 2.486 1.00 0.00 C ATOM 347 CE LYS A 25 -8.329 -14.498 3.902 1.00 0.00 C ATOM 348 NZ LYS A 25 -9.414 -15.502 3.972 1.00 0.00 N ATOM 0 H LYS A 25 -7.418 -9.532 2.990 1.00 0.00 H new ATOM 0 HA LYS A 25 -6.494 -11.483 1.017 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -7.352 -12.107 3.260 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -8.924 -11.482 2.805 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -9.415 -13.359 1.626 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -7.932 -13.236 0.700 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -7.970 -15.358 1.956 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -6.667 -14.340 2.535 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -7.541 -14.755 4.610 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -8.712 -13.519 4.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -9.795 -15.535 4.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -10.172 -15.240 3.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -9.038 -16.437 3.716 1.00 0.00 H new ATOM 362 N ALA A 26 -7.639 -10.483 -0.903 1.00 0.00 N ATOM 363 CA ALA A 26 -8.368 -10.097 -2.099 1.00 0.00 C ATOM 364 C ALA A 26 -8.416 -11.282 -3.066 1.00 0.00 C ATOM 365 O ALA A 26 -7.881 -12.350 -2.772 1.00 0.00 O ATOM 366 CB ALA A 26 -7.713 -8.862 -2.721 1.00 0.00 C ATOM 0 H ALA A 26 -6.658 -10.714 -1.058 1.00 0.00 H new ATOM 0 HA ALA A 26 -9.396 -9.831 -1.853 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -8.260 -8.573 -3.618 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -7.731 -8.041 -2.004 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -6.680 -9.091 -2.984 1.00 0.00 H new ATOM 372 N LYS A 27 -9.060 -11.052 -4.201 1.00 0.00 N ATOM 373 CA LYS A 27 -9.184 -12.087 -5.214 1.00 0.00 C ATOM 374 C LYS A 27 -7.821 -12.318 -5.870 1.00 0.00 C ATOM 375 O LYS A 27 -6.854 -11.624 -5.561 1.00 0.00 O ATOM 376 CB LYS A 27 -10.293 -11.735 -6.207 1.00 0.00 C ATOM 377 CG LYS A 27 -11.578 -11.340 -5.476 1.00 0.00 C ATOM 378 CD LYS A 27 -12.464 -12.562 -5.224 1.00 0.00 C ATOM 379 CE LYS A 27 -13.648 -12.589 -6.192 1.00 0.00 C ATOM 380 NZ LYS A 27 -14.872 -13.052 -5.500 1.00 0.00 N ATOM 0 H LYS A 27 -9.501 -10.164 -4.442 1.00 0.00 H new ATOM 0 HA LYS A 27 -9.484 -13.031 -4.759 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -9.967 -10.914 -6.846 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -10.488 -12.588 -6.858 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -11.329 -10.865 -4.527 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -12.125 -10.605 -6.067 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -11.875 -13.472 -5.338 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -12.829 -12.545 -4.197 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -13.811 -11.593 -6.605 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -13.425 -13.249 -7.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -15.666 -13.065 -6.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -14.718 -14.011 -5.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -15.092 -12.406 -4.715 1.00 0.00 H new ATOM 394 N VAL A 28 -7.789 -13.295 -6.764 1.00 0.00 N ATOM 395 CA VAL A 28 -6.561 -13.626 -7.467 1.00 0.00 C ATOM 396 C VAL A 28 -6.345 -12.627 -8.605 1.00 0.00 C ATOM 397 O VAL A 28 -5.316 -12.661 -9.279 1.00 0.00 O ATOM 398 CB VAL A 28 -6.608 -15.079 -7.946 1.00 0.00 C ATOM 399 CG1 VAL A 28 -7.609 -15.246 -9.091 1.00 0.00 C ATOM 400 CG2 VAL A 28 -5.217 -15.565 -8.359 1.00 0.00 C ATOM 0 H VAL A 28 -8.594 -13.868 -7.018 1.00 0.00 H new ATOM 0 HA VAL A 28 -5.704 -13.546 -6.798 1.00 0.00 H new ATOM 0 HB VAL A 28 -6.945 -15.696 -7.113 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -7.623 -16.287 -9.413 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -8.603 -14.958 -8.750 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -7.315 -14.612 -9.927 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -5.278 -16.600 -8.695 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -4.840 -14.942 -9.170 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -4.541 -15.500 -7.507 1.00 0.00 H new ATOM 410 N SER A 29 -7.332 -11.762 -8.786 1.00 0.00 N ATOM 411 CA SER A 29 -7.263 -10.756 -9.832 1.00 0.00 C ATOM 412 C SER A 29 -7.925 -9.461 -9.356 1.00 0.00 C ATOM 413 O SER A 29 -8.540 -8.747 -10.146 1.00 0.00 O ATOM 414 CB SER A 29 -7.929 -11.250 -11.117 1.00 0.00 C ATOM 415 OG SER A 29 -7.188 -12.302 -11.731 1.00 0.00 O ATOM 0 H SER A 29 -8.184 -11.737 -8.226 1.00 0.00 H new ATOM 0 HA SER A 29 -6.213 -10.562 -10.051 1.00 0.00 H new ATOM 0 HB2 SER A 29 -8.937 -11.599 -10.892 1.00 0.00 H new ATOM 0 HB3 SER A 29 -8.028 -10.420 -11.816 1.00 0.00 H new ATOM 0 HG SER A 29 -7.646 -12.592 -12.547 1.00 0.00 H new ATOM 421 N SER A 30 -7.776 -9.197 -8.066 1.00 0.00 N ATOM 422 CA SER A 30 -8.351 -8.000 -7.476 1.00 0.00 C ATOM 423 C SER A 30 -7.501 -6.779 -7.833 1.00 0.00 C ATOM 424 O SER A 30 -6.319 -6.912 -8.147 1.00 0.00 O ATOM 425 CB SER A 30 -8.469 -8.138 -5.956 1.00 0.00 C ATOM 426 OG SER A 30 -9.823 -8.065 -5.517 1.00 0.00 O ATOM 0 H SER A 30 -7.265 -9.791 -7.413 1.00 0.00 H new ATOM 0 HA SER A 30 -9.354 -7.867 -7.882 1.00 0.00 H new ATOM 0 HB2 SER A 30 -8.037 -9.089 -5.644 1.00 0.00 H new ATOM 0 HB3 SER A 30 -7.889 -7.351 -5.474 1.00 0.00 H new ATOM 0 HG SER A 30 -9.871 -7.544 -4.688 1.00 0.00 H new ATOM 432 N ILE A 31 -8.136 -5.618 -7.774 1.00 0.00 N ATOM 433 CA ILE A 31 -7.453 -4.375 -8.088 1.00 0.00 C ATOM 434 C ILE A 31 -6.975 -3.719 -6.791 1.00 0.00 C ATOM 435 O ILE A 31 -7.443 -4.064 -5.707 1.00 0.00 O ATOM 436 CB ILE A 31 -8.348 -3.472 -8.940 1.00 0.00 C ATOM 437 CG1 ILE A 31 -9.731 -3.315 -8.305 1.00 0.00 C ATOM 438 CG2 ILE A 31 -8.432 -3.984 -10.379 1.00 0.00 C ATOM 439 CD1 ILE A 31 -10.459 -2.094 -8.872 1.00 0.00 C ATOM 0 H ILE A 31 -9.116 -5.512 -7.513 1.00 0.00 H new ATOM 0 HA ILE A 31 -6.567 -4.569 -8.693 1.00 0.00 H new ATOM 0 HB ILE A 31 -7.897 -2.480 -8.977 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -10.323 -4.212 -8.487 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -9.630 -3.213 -7.225 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -9.074 -3.324 -10.963 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -7.434 -4.001 -10.818 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -8.848 -4.992 -10.383 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -11.439 -2.005 -8.404 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -9.877 -1.196 -8.667 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -10.580 -2.210 -9.949 1.00 0.00 H new ATOM 451 N ALA A 32 -6.048 -2.785 -6.944 1.00 0.00 N ATOM 452 CA ALA A 32 -5.501 -2.078 -5.799 1.00 0.00 C ATOM 453 C ALA A 32 -6.634 -1.372 -5.052 1.00 0.00 C ATOM 454 O ALA A 32 -6.705 -1.430 -3.825 1.00 0.00 O ATOM 455 CB ALA A 32 -4.417 -1.105 -6.268 1.00 0.00 C ATOM 0 H ALA A 32 -5.662 -2.501 -7.844 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.033 -2.777 -5.105 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.007 -0.575 -5.408 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -3.621 -1.659 -6.766 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -4.849 -0.387 -6.965 1.00 0.00 H new ATOM 461 N GLN A 33 -7.493 -0.722 -5.823 1.00 0.00 N ATOM 462 CA GLN A 33 -8.620 -0.005 -5.250 1.00 0.00 C ATOM 463 C GLN A 33 -9.313 -0.866 -4.192 1.00 0.00 C ATOM 464 O GLN A 33 -9.580 -0.400 -3.085 1.00 0.00 O ATOM 465 CB GLN A 33 -9.605 0.427 -6.337 1.00 0.00 C ATOM 466 CG GLN A 33 -10.906 0.949 -5.723 1.00 0.00 C ATOM 467 CD GLN A 33 -10.772 2.420 -5.324 1.00 0.00 C ATOM 468 OE1 GLN A 33 -11.306 3.314 -5.960 1.00 0.00 O ATOM 469 NE2 GLN A 33 -10.029 2.621 -4.239 1.00 0.00 N ATOM 0 H GLN A 33 -7.431 -0.677 -6.840 1.00 0.00 H new ATOM 0 HA GLN A 33 -8.245 0.897 -4.768 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -9.153 1.203 -6.954 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -9.821 -0.416 -6.993 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -11.721 0.835 -6.438 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -11.164 0.353 -4.848 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -9.610 1.828 -3.753 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -9.878 3.568 -3.893 1.00 0.00 H new ATOM 478 N GLU A 34 -9.585 -2.106 -4.570 1.00 0.00 N ATOM 479 CA GLU A 34 -10.243 -3.036 -3.667 1.00 0.00 C ATOM 480 C GLU A 34 -9.425 -3.198 -2.384 1.00 0.00 C ATOM 481 O GLU A 34 -9.981 -3.459 -1.318 1.00 0.00 O ATOM 482 CB GLU A 34 -10.473 -4.388 -4.345 1.00 0.00 C ATOM 483 CG GLU A 34 -11.659 -4.324 -5.309 1.00 0.00 C ATOM 484 CD GLU A 34 -11.927 -5.691 -5.942 1.00 0.00 C ATOM 485 OE1 GLU A 34 -12.231 -6.625 -5.168 1.00 0.00 O ATOM 486 OE2 GLU A 34 -11.821 -5.771 -7.185 1.00 0.00 O ATOM 0 H GLU A 34 -9.362 -2.489 -5.489 1.00 0.00 H new ATOM 0 HA GLU A 34 -11.219 -2.628 -3.404 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -9.575 -4.684 -4.887 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -10.655 -5.152 -3.589 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -12.548 -3.986 -4.776 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -11.458 -3.591 -6.090 1.00 0.00 H new ATOM 493 N ILE A 35 -8.118 -3.037 -2.529 1.00 0.00 N ATOM 494 CA ILE A 35 -7.218 -3.163 -1.395 1.00 0.00 C ATOM 495 C ILE A 35 -7.173 -1.834 -0.636 1.00 0.00 C ATOM 496 O ILE A 35 -7.163 -1.818 0.594 1.00 0.00 O ATOM 497 CB ILE A 35 -5.845 -3.657 -1.852 1.00 0.00 C ATOM 498 CG1 ILE A 35 -5.981 -4.779 -2.884 1.00 0.00 C ATOM 499 CG2 ILE A 35 -4.987 -4.078 -0.657 1.00 0.00 C ATOM 500 CD1 ILE A 35 -6.893 -5.892 -2.365 1.00 0.00 C ATOM 0 H ILE A 35 -7.661 -2.820 -3.415 1.00 0.00 H new ATOM 0 HA ILE A 35 -7.586 -3.917 -0.699 1.00 0.00 H new ATOM 0 HB ILE A 35 -5.331 -2.830 -2.342 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -6.385 -4.377 -3.813 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -4.997 -5.188 -3.114 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -4.016 -4.425 -1.010 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.848 -3.226 0.009 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -5.485 -4.883 -0.117 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -6.973 -6.677 -3.117 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -6.474 -6.308 -1.449 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -7.883 -5.485 -2.159 1.00 0.00 H new ATOM 512 N LEU A 36 -7.146 -0.753 -1.402 1.00 0.00 N ATOM 513 CA LEU A 36 -7.102 0.576 -0.817 1.00 0.00 C ATOM 514 C LEU A 36 -8.296 0.756 0.123 1.00 0.00 C ATOM 515 O LEU A 36 -8.128 1.148 1.277 1.00 0.00 O ATOM 516 CB LEU A 36 -7.017 1.641 -1.913 1.00 0.00 C ATOM 517 CG LEU A 36 -6.534 3.023 -1.469 1.00 0.00 C ATOM 518 CD1 LEU A 36 -5.114 2.953 -0.906 1.00 0.00 C ATOM 519 CD2 LEU A 36 -6.649 4.036 -2.610 1.00 0.00 C ATOM 0 H LEU A 36 -7.154 -0.771 -2.422 1.00 0.00 H new ATOM 0 HA LEU A 36 -6.201 0.697 -0.215 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -6.349 1.278 -2.694 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -8.004 1.750 -2.363 1.00 0.00 H new ATOM 0 HG LEU A 36 -7.182 3.369 -0.664 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -4.795 3.949 -0.598 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -5.096 2.284 -0.046 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -4.437 2.576 -1.673 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -6.299 5.010 -2.268 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -6.040 3.707 -3.452 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -7.690 4.114 -2.924 1.00 0.00 H new ATOM 531 N LYS A 37 -9.474 0.460 -0.406 1.00 0.00 N ATOM 532 CA LYS A 37 -10.695 0.583 0.371 1.00 0.00 C ATOM 533 C LYS A 37 -10.566 -0.245 1.651 1.00 0.00 C ATOM 534 O LYS A 37 -11.132 0.110 2.684 1.00 0.00 O ATOM 535 CB LYS A 37 -11.912 0.214 -0.480 1.00 0.00 C ATOM 536 CG LYS A 37 -11.834 -1.241 -0.946 1.00 0.00 C ATOM 537 CD LYS A 37 -13.141 -1.981 -0.654 1.00 0.00 C ATOM 538 CE LYS A 37 -12.937 -3.496 -0.709 1.00 0.00 C ATOM 539 NZ LYS A 37 -14.191 -4.174 -1.108 1.00 0.00 N ATOM 0 H LYS A 37 -9.609 0.135 -1.364 1.00 0.00 H new ATOM 0 HA LYS A 37 -10.850 1.618 0.675 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -12.824 0.366 0.098 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -11.969 0.874 -1.345 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -11.625 -1.273 -2.015 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -11.007 -1.744 -0.444 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -13.512 -1.696 0.330 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -13.900 -1.686 -1.379 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -12.145 -3.737 -1.418 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -12.614 -3.861 0.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -14.035 -5.202 -1.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -14.937 -3.959 -0.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -14.483 -3.838 -2.048 1.00 0.00 H new ATOM 553 N VAL A 38 -9.818 -1.333 1.541 1.00 0.00 N ATOM 554 CA VAL A 38 -9.607 -2.214 2.677 1.00 0.00 C ATOM 555 C VAL A 38 -8.532 -1.618 3.588 1.00 0.00 C ATOM 556 O VAL A 38 -8.814 -1.247 4.726 1.00 0.00 O ATOM 557 CB VAL A 38 -9.262 -3.623 2.189 1.00 0.00 C ATOM 558 CG1 VAL A 38 -9.143 -4.596 3.363 1.00 0.00 C ATOM 559 CG2 VAL A 38 -10.291 -4.117 1.169 1.00 0.00 C ATOM 0 H VAL A 38 -9.351 -1.624 0.683 1.00 0.00 H new ATOM 0 HA VAL A 38 -10.520 -2.302 3.266 1.00 0.00 H new ATOM 0 HB VAL A 38 -8.293 -3.578 1.692 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -8.897 -5.590 2.989 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -8.357 -4.258 4.038 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -10.090 -4.635 3.901 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -10.023 -5.120 0.838 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -11.279 -4.139 1.630 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -10.305 -3.444 0.312 1.00 0.00 H new ATOM 569 N VAL A 39 -7.323 -1.543 3.052 1.00 0.00 N ATOM 570 CA VAL A 39 -6.205 -0.997 3.802 1.00 0.00 C ATOM 571 C VAL A 39 -6.642 0.296 4.493 1.00 0.00 C ATOM 572 O VAL A 39 -6.487 0.439 5.705 1.00 0.00 O ATOM 573 CB VAL A 39 -5.000 -0.804 2.879 1.00 0.00 C ATOM 574 CG1 VAL A 39 -3.838 -0.143 3.625 1.00 0.00 C ATOM 575 CG2 VAL A 39 -4.567 -2.133 2.257 1.00 0.00 C ATOM 0 H VAL A 39 -7.093 -1.851 2.107 1.00 0.00 H new ATOM 0 HA VAL A 39 -5.893 -1.692 4.581 1.00 0.00 H new ATOM 0 HB VAL A 39 -5.301 -0.138 2.070 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -2.994 -0.017 2.946 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -4.152 0.832 3.998 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -3.539 -0.772 4.463 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -3.709 -1.967 1.606 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -4.293 -2.832 3.047 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -5.390 -2.547 1.675 1.00 0.00 H new ATOM 585 N ALA A 40 -7.179 1.204 3.693 1.00 0.00 N ATOM 586 CA ALA A 40 -7.640 2.481 4.212 1.00 0.00 C ATOM 587 C ALA A 40 -8.276 2.267 5.587 1.00 0.00 C ATOM 588 O ALA A 40 -8.023 3.031 6.518 1.00 0.00 O ATOM 589 CB ALA A 40 -8.609 3.118 3.215 1.00 0.00 C ATOM 0 H ALA A 40 -7.306 1.081 2.688 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.804 3.169 4.338 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -8.955 4.076 3.605 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -8.101 3.275 2.264 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -9.463 2.458 3.065 1.00 0.00 H new ATOM 595 N GLU A 41 -9.090 1.225 5.672 1.00 0.00 N ATOM 596 CA GLU A 41 -9.764 0.901 6.918 1.00 0.00 C ATOM 597 C GLU A 41 -8.770 0.315 7.923 1.00 0.00 C ATOM 598 O GLU A 41 -8.772 0.691 9.094 1.00 0.00 O ATOM 599 CB GLU A 41 -10.930 -0.059 6.677 1.00 0.00 C ATOM 600 CG GLU A 41 -11.729 0.348 5.438 1.00 0.00 C ATOM 601 CD GLU A 41 -13.174 0.692 5.805 1.00 0.00 C ATOM 602 OE1 GLU A 41 -13.350 1.667 6.566 1.00 0.00 O ATOM 603 OE2 GLU A 41 -14.070 -0.030 5.317 1.00 0.00 O ATOM 0 H GLU A 41 -9.298 0.594 4.898 1.00 0.00 H new ATOM 0 HA GLU A 41 -10.174 1.820 7.336 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -10.551 -1.073 6.552 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -11.584 -0.068 7.549 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -11.256 1.208 4.963 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -11.718 -0.464 4.711 1.00 0.00 H new ATOM 610 N LYS A 42 -7.944 -0.595 7.428 1.00 0.00 N ATOM 611 CA LYS A 42 -6.947 -1.236 8.268 1.00 0.00 C ATOM 612 C LYS A 42 -6.077 -0.165 8.928 1.00 0.00 C ATOM 613 O LYS A 42 -5.450 -0.415 9.956 1.00 0.00 O ATOM 614 CB LYS A 42 -6.150 -2.265 7.463 1.00 0.00 C ATOM 615 CG LYS A 42 -6.520 -3.691 7.877 1.00 0.00 C ATOM 616 CD LYS A 42 -8.024 -3.931 7.729 1.00 0.00 C ATOM 617 CE LYS A 42 -8.434 -3.951 6.256 1.00 0.00 C ATOM 618 NZ LYS A 42 -9.854 -3.561 6.108 1.00 0.00 N ATOM 0 H LYS A 42 -7.945 -0.904 6.456 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.428 -1.795 9.070 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -6.344 -2.129 6.399 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -5.083 -2.104 7.615 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -5.972 -4.406 7.263 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -6.220 -3.863 8.911 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -8.293 -4.878 8.198 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -8.574 -3.149 8.253 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -7.802 -3.269 5.687 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -8.280 -4.948 5.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -10.411 -4.386 5.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -10.215 -3.214 7.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -9.935 -2.809 5.394 1.00 0.00 H new ATOM 632 N ILE A 43 -6.066 1.007 8.310 1.00 0.00 N ATOM 633 CA ILE A 43 -5.284 2.118 8.825 1.00 0.00 C ATOM 634 C ILE A 43 -6.228 3.210 9.331 1.00 0.00 C ATOM 635 O ILE A 43 -5.813 4.101 10.071 1.00 0.00 O ATOM 636 CB ILE A 43 -4.288 2.606 7.770 1.00 0.00 C ATOM 637 CG1 ILE A 43 -4.915 3.681 6.880 1.00 0.00 C ATOM 638 CG2 ILE A 43 -3.737 1.436 6.954 1.00 0.00 C ATOM 639 CD1 ILE A 43 -3.896 4.224 5.876 1.00 0.00 C ATOM 0 H ILE A 43 -6.586 1.211 7.457 1.00 0.00 H new ATOM 0 HA ILE A 43 -4.682 1.798 9.675 1.00 0.00 H new ATOM 0 HB ILE A 43 -3.444 3.066 8.284 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -5.769 3.264 6.347 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -5.292 4.496 7.498 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -3.032 1.810 6.212 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -3.228 0.737 7.618 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -4.558 0.926 6.450 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -4.367 4.986 5.256 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -3.054 4.662 6.413 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -3.540 3.411 5.243 1.00 0.00 H new ATOM 651 N GLN A 44 -7.481 3.106 8.911 1.00 0.00 N ATOM 652 CA GLN A 44 -8.487 4.074 9.313 1.00 0.00 C ATOM 653 C GLN A 44 -8.270 5.400 8.581 1.00 0.00 C ATOM 654 O GLN A 44 -8.073 6.437 9.213 1.00 0.00 O ATOM 655 CB GLN A 44 -8.479 4.277 10.829 1.00 0.00 C ATOM 656 CG GLN A 44 -8.458 2.934 11.562 1.00 0.00 C ATOM 657 CD GLN A 44 -8.804 3.111 13.042 1.00 0.00 C ATOM 658 OE1 GLN A 44 -9.915 2.862 13.480 1.00 0.00 O ATOM 659 NE2 GLN A 44 -7.794 3.554 13.785 1.00 0.00 N ATOM 0 H GLN A 44 -7.822 2.366 8.297 1.00 0.00 H new ATOM 0 HA GLN A 44 -9.467 3.685 9.037 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -7.608 4.866 11.116 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -9.360 4.845 11.128 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -9.170 2.251 11.098 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -7.472 2.479 11.467 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -6.889 3.743 13.355 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -7.925 3.705 14.785 1.00 0.00 H new ATOM 668 N TYR A 45 -8.314 5.324 7.259 1.00 0.00 N ATOM 669 CA TYR A 45 -8.124 6.506 6.435 1.00 0.00 C ATOM 670 C TYR A 45 -9.115 6.526 5.270 1.00 0.00 C ATOM 671 O TYR A 45 -10.121 5.817 5.293 1.00 0.00 O ATOM 672 CB TYR A 45 -6.703 6.408 5.878 1.00 0.00 C ATOM 673 CG TYR A 45 -5.761 7.505 6.378 1.00 0.00 C ATOM 674 CD1 TYR A 45 -5.055 7.327 7.551 1.00 0.00 C ATOM 675 CD2 TYR A 45 -5.618 8.673 5.657 1.00 0.00 C ATOM 676 CE1 TYR A 45 -4.169 8.360 8.022 1.00 0.00 C ATOM 677 CE2 TYR A 45 -4.732 9.706 6.128 1.00 0.00 C ATOM 678 CZ TYR A 45 -4.052 9.498 7.287 1.00 0.00 C ATOM 679 OH TYR A 45 -3.215 10.474 7.732 1.00 0.00 O ATOM 0 H TYR A 45 -8.478 4.463 6.738 1.00 0.00 H new ATOM 0 HA TYR A 45 -8.282 7.412 7.021 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -6.286 5.437 6.144 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -6.747 6.449 4.790 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -5.167 6.413 8.115 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -6.171 8.812 4.740 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -3.610 8.234 8.938 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -4.610 10.625 5.573 1.00 0.00 H new ATOM 0 HH TYR A 45 -2.401 10.066 8.094 1.00 0.00 H new ATOM 689 N ALA A 46 -8.797 7.345 4.278 1.00 0.00 N ATOM 690 CA ALA A 46 -9.647 7.467 3.106 1.00 0.00 C ATOM 691 C ALA A 46 -8.901 6.931 1.882 1.00 0.00 C ATOM 692 O ALA A 46 -7.968 7.566 1.393 1.00 0.00 O ATOM 693 CB ALA A 46 -10.076 8.925 2.935 1.00 0.00 C ATOM 0 H ALA A 46 -7.962 7.931 4.262 1.00 0.00 H new ATOM 0 HA ALA A 46 -10.553 6.873 3.226 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -10.714 9.016 2.056 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -10.627 9.248 3.818 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -9.193 9.552 2.809 1.00 0.00 H new ATOM 699 N GLU A 47 -9.340 5.768 1.423 1.00 0.00 N ATOM 700 CA GLU A 47 -8.726 5.140 0.266 1.00 0.00 C ATOM 701 C GLU A 47 -8.513 6.169 -0.846 1.00 0.00 C ATOM 702 O GLU A 47 -7.452 6.207 -1.466 1.00 0.00 O ATOM 703 CB GLU A 47 -9.567 3.962 -0.230 1.00 0.00 C ATOM 704 CG GLU A 47 -11.029 4.372 -0.413 1.00 0.00 C ATOM 705 CD GLU A 47 -11.858 3.213 -0.971 1.00 0.00 C ATOM 706 OE1 GLU A 47 -11.654 2.891 -2.161 1.00 0.00 O ATOM 707 OE2 GLU A 47 -12.676 2.674 -0.194 1.00 0.00 O ATOM 0 H GLU A 47 -10.114 5.244 1.832 1.00 0.00 H new ATOM 0 HA GLU A 47 -7.753 4.749 0.563 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -9.167 3.597 -1.176 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -9.503 3.139 0.482 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -11.443 4.693 0.543 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -11.089 5.225 -1.089 1.00 0.00 H new ATOM 714 N GLU A 48 -9.540 6.977 -1.064 1.00 0.00 N ATOM 715 CA GLU A 48 -9.479 8.004 -2.091 1.00 0.00 C ATOM 716 C GLU A 48 -8.332 8.975 -1.803 1.00 0.00 C ATOM 717 O GLU A 48 -7.802 9.603 -2.718 1.00 0.00 O ATOM 718 CB GLU A 48 -10.812 8.746 -2.204 1.00 0.00 C ATOM 719 CG GLU A 48 -11.078 9.588 -0.954 1.00 0.00 C ATOM 720 CD GLU A 48 -12.571 9.883 -0.799 1.00 0.00 C ATOM 721 OE1 GLU A 48 -13.122 10.521 -1.722 1.00 0.00 O ATOM 722 OE2 GLU A 48 -13.128 9.463 0.239 1.00 0.00 O ATOM 0 H GLU A 48 -10.419 6.942 -0.547 1.00 0.00 H new ATOM 0 HA GLU A 48 -9.288 7.522 -3.050 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -10.801 9.389 -3.084 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -11.621 8.029 -2.343 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -10.714 9.061 -0.072 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -10.523 10.524 -1.017 1.00 0.00 H new ATOM 729 N ASP A 49 -7.984 9.068 -0.528 1.00 0.00 N ATOM 730 CA ASP A 49 -6.910 9.953 -0.108 1.00 0.00 C ATOM 731 C ASP A 49 -5.586 9.188 -0.135 1.00 0.00 C ATOM 732 O ASP A 49 -4.523 9.773 0.065 1.00 0.00 O ATOM 733 CB ASP A 49 -7.137 10.455 1.319 1.00 0.00 C ATOM 734 CG ASP A 49 -8.362 11.353 1.502 1.00 0.00 C ATOM 735 OD1 ASP A 49 -9.343 11.132 0.759 1.00 0.00 O ATOM 736 OD2 ASP A 49 -8.290 12.240 2.379 1.00 0.00 O ATOM 0 H ASP A 49 -8.426 8.545 0.228 1.00 0.00 H new ATOM 0 HA ASP A 49 -6.887 10.803 -0.790 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -7.235 9.594 1.980 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -6.252 11.004 1.640 1.00 0.00 H new ATOM 741 N LEU A 50 -5.693 7.891 -0.385 1.00 0.00 N ATOM 742 CA LEU A 50 -4.516 7.040 -0.441 1.00 0.00 C ATOM 743 C LEU A 50 -4.239 6.655 -1.896 1.00 0.00 C ATOM 744 O LEU A 50 -5.070 6.890 -2.773 1.00 0.00 O ATOM 745 CB LEU A 50 -4.679 5.839 0.492 1.00 0.00 C ATOM 746 CG LEU A 50 -4.917 6.164 1.968 1.00 0.00 C ATOM 747 CD1 LEU A 50 -4.944 4.889 2.813 1.00 0.00 C ATOM 748 CD2 LEU A 50 -3.885 7.170 2.482 1.00 0.00 C ATOM 0 H LEU A 50 -6.576 7.409 -0.551 1.00 0.00 H new ATOM 0 HA LEU A 50 -3.639 7.578 -0.081 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -5.514 5.237 0.134 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -3.784 5.221 0.416 1.00 0.00 H new ATOM 0 HG LEU A 50 -5.897 6.632 2.060 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -5.115 5.148 3.858 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -5.747 4.239 2.465 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -3.990 4.370 2.719 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.077 7.383 3.533 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.884 6.752 2.374 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.957 8.092 1.906 1.00 0.00 H new ATOM 760 N ALA A 51 -3.069 6.071 -2.108 1.00 0.00 N ATOM 761 CA ALA A 51 -2.673 5.651 -3.441 1.00 0.00 C ATOM 762 C ALA A 51 -1.692 4.482 -3.332 1.00 0.00 C ATOM 763 O ALA A 51 -0.749 4.529 -2.544 1.00 0.00 O ATOM 764 CB ALA A 51 -2.079 6.842 -4.196 1.00 0.00 C ATOM 0 H ALA A 51 -2.382 5.879 -1.379 1.00 0.00 H new ATOM 0 HA ALA A 51 -3.538 5.304 -4.007 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -1.782 6.527 -5.196 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -2.825 7.634 -4.271 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.207 7.215 -3.659 1.00 0.00 H new ATOM 770 N LEU A 52 -1.948 3.460 -4.135 1.00 0.00 N ATOM 771 CA LEU A 52 -1.099 2.280 -4.139 1.00 0.00 C ATOM 772 C LEU A 52 0.108 2.529 -5.046 1.00 0.00 C ATOM 773 O LEU A 52 -0.048 2.759 -6.244 1.00 0.00 O ATOM 774 CB LEU A 52 -1.908 1.039 -4.520 1.00 0.00 C ATOM 775 CG LEU A 52 -3.029 0.647 -3.555 1.00 0.00 C ATOM 776 CD1 LEU A 52 -2.709 1.102 -2.130 1.00 0.00 C ATOM 777 CD2 LEU A 52 -4.379 1.181 -4.037 1.00 0.00 C ATOM 0 H LEU A 52 -2.731 3.424 -4.788 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.713 2.085 -3.139 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -2.344 1.202 -5.505 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.222 0.196 -4.611 1.00 0.00 H new ATOM 0 HG LEU A 52 -3.100 -0.441 -3.538 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -3.521 0.811 -1.464 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.782 0.634 -1.798 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.595 2.186 -2.111 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -5.158 0.888 -3.333 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -4.338 2.268 -4.102 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -4.604 0.767 -5.020 1.00 0.00 H new ATOM 789 N VAL A 53 1.285 2.475 -4.439 1.00 0.00 N ATOM 790 CA VAL A 53 2.518 2.691 -5.176 1.00 0.00 C ATOM 791 C VAL A 53 3.527 1.602 -4.806 1.00 0.00 C ATOM 792 O VAL A 53 3.718 1.303 -3.628 1.00 0.00 O ATOM 793 CB VAL A 53 3.042 4.105 -4.916 1.00 0.00 C ATOM 794 CG1 VAL A 53 1.938 5.145 -5.120 1.00 0.00 C ATOM 795 CG2 VAL A 53 3.648 4.216 -3.516 1.00 0.00 C ATOM 0 H VAL A 53 1.410 2.285 -3.445 1.00 0.00 H new ATOM 0 HA VAL A 53 2.339 2.617 -6.249 1.00 0.00 H new ATOM 0 HB VAL A 53 3.831 4.308 -5.640 1.00 0.00 H new ATOM 0 HG11 VAL A 53 2.337 6.141 -4.929 1.00 0.00 H new ATOM 0 HG12 VAL A 53 1.572 5.091 -6.145 1.00 0.00 H new ATOM 0 HG13 VAL A 53 1.117 4.944 -4.431 1.00 0.00 H new ATOM 0 HG21 VAL A 53 4.013 5.231 -3.357 1.00 0.00 H new ATOM 0 HG22 VAL A 53 2.887 3.983 -2.771 1.00 0.00 H new ATOM 0 HG23 VAL A 53 4.476 3.514 -3.421 1.00 0.00 H new ATOM 805 N ALA A 54 4.145 1.038 -5.833 1.00 0.00 N ATOM 806 CA ALA A 54 5.129 -0.011 -5.630 1.00 0.00 C ATOM 807 C ALA A 54 6.529 0.607 -5.601 1.00 0.00 C ATOM 808 O ALA A 54 6.741 1.697 -6.130 1.00 0.00 O ATOM 809 CB ALA A 54 4.981 -1.069 -6.726 1.00 0.00 C ATOM 0 H ALA A 54 3.983 1.288 -6.809 1.00 0.00 H new ATOM 0 HA ALA A 54 4.968 -0.508 -4.673 1.00 0.00 H new ATOM 0 HB1 ALA A 54 5.719 -1.856 -6.574 1.00 0.00 H new ATOM 0 HB2 ALA A 54 3.980 -1.498 -6.685 1.00 0.00 H new ATOM 0 HB3 ALA A 54 5.138 -0.607 -7.701 1.00 0.00 H new ATOM 815 N ILE A 55 7.447 -0.116 -4.978 1.00 0.00 N ATOM 816 CA ILE A 55 8.820 0.347 -4.873 1.00 0.00 C ATOM 817 C ILE A 55 9.764 -0.750 -5.370 1.00 0.00 C ATOM 818 O ILE A 55 9.405 -1.927 -5.376 1.00 0.00 O ATOM 819 CB ILE A 55 9.120 0.817 -3.448 1.00 0.00 C ATOM 820 CG1 ILE A 55 8.024 1.757 -2.939 1.00 0.00 C ATOM 821 CG2 ILE A 55 10.508 1.455 -3.361 1.00 0.00 C ATOM 822 CD1 ILE A 55 8.529 2.605 -1.770 1.00 0.00 C ATOM 0 H ILE A 55 7.267 -1.020 -4.540 1.00 0.00 H new ATOM 0 HA ILE A 55 8.978 1.217 -5.511 1.00 0.00 H new ATOM 0 HB ILE A 55 9.126 -0.056 -2.795 1.00 0.00 H new ATOM 0 HG12 ILE A 55 7.693 2.407 -3.749 1.00 0.00 H new ATOM 0 HG13 ILE A 55 7.158 1.175 -2.623 1.00 0.00 H new ATOM 0 HG21 ILE A 55 10.696 1.780 -2.338 1.00 0.00 H new ATOM 0 HG22 ILE A 55 11.263 0.725 -3.654 1.00 0.00 H new ATOM 0 HG23 ILE A 55 10.556 2.315 -4.029 1.00 0.00 H new ATOM 0 HD11 ILE A 55 7.731 3.264 -1.427 1.00 0.00 H new ATOM 0 HD12 ILE A 55 8.837 1.952 -0.953 1.00 0.00 H new ATOM 0 HD13 ILE A 55 9.379 3.204 -2.096 1.00 0.00 H new ATOM 834 N THR A 56 10.952 -0.326 -5.774 1.00 0.00 N ATOM 835 CA THR A 56 11.950 -1.258 -6.271 1.00 0.00 C ATOM 836 C THR A 56 13.099 -1.394 -5.270 1.00 0.00 C ATOM 837 O THR A 56 13.214 -0.596 -4.340 1.00 0.00 O ATOM 838 CB THR A 56 12.401 -0.776 -7.651 1.00 0.00 C ATOM 839 OG1 THR A 56 13.378 -1.733 -8.051 1.00 0.00 O ATOM 840 CG2 THR A 56 13.175 0.542 -7.587 1.00 0.00 C ATOM 0 H THR A 56 11.246 0.651 -5.767 1.00 0.00 H new ATOM 0 HA THR A 56 11.535 -2.260 -6.380 1.00 0.00 H new ATOM 0 HB THR A 56 11.530 -0.654 -8.295 1.00 0.00 H new ATOM 0 HG1 THR A 56 13.723 -1.498 -8.938 1.00 0.00 H new ATOM 0 HG21 THR A 56 13.472 0.839 -8.593 1.00 0.00 H new ATOM 0 HG22 THR A 56 12.542 1.315 -7.152 1.00 0.00 H new ATOM 0 HG23 THR A 56 14.064 0.412 -6.970 1.00 0.00 H new ATOM 848 N PHE A 57 13.919 -2.410 -5.493 1.00 0.00 N ATOM 849 CA PHE A 57 15.054 -2.661 -4.622 1.00 0.00 C ATOM 850 C PHE A 57 15.856 -1.380 -4.384 1.00 0.00 C ATOM 851 O PHE A 57 16.068 -0.979 -3.240 1.00 0.00 O ATOM 852 CB PHE A 57 15.946 -3.682 -5.332 1.00 0.00 C ATOM 853 CG PHE A 57 17.300 -3.902 -4.655 1.00 0.00 C ATOM 854 CD1 PHE A 57 17.391 -4.703 -3.560 1.00 0.00 C ATOM 855 CD2 PHE A 57 18.414 -3.297 -5.149 1.00 0.00 C ATOM 856 CE1 PHE A 57 18.648 -4.908 -2.931 1.00 0.00 C ATOM 857 CE2 PHE A 57 19.671 -3.502 -4.521 1.00 0.00 C ATOM 858 CZ PHE A 57 19.761 -4.303 -3.425 1.00 0.00 C ATOM 0 H PHE A 57 13.820 -3.069 -6.265 1.00 0.00 H new ATOM 0 HA PHE A 57 14.707 -3.026 -3.655 1.00 0.00 H new ATOM 0 HB2 PHE A 57 15.419 -4.635 -5.385 1.00 0.00 H new ATOM 0 HB3 PHE A 57 16.113 -3.352 -6.357 1.00 0.00 H new ATOM 0 HD1 PHE A 57 16.507 -5.184 -3.168 1.00 0.00 H new ATOM 0 HD2 PHE A 57 18.342 -2.661 -6.019 1.00 0.00 H new ATOM 0 HE1 PHE A 57 18.720 -5.544 -2.061 1.00 0.00 H new ATOM 0 HE2 PHE A 57 20.555 -3.022 -4.913 1.00 0.00 H new ATOM 0 HZ PHE A 57 20.717 -4.458 -2.947 1.00 0.00 H new ATOM 868 N SER A 58 16.280 -0.772 -5.482 1.00 0.00 N ATOM 869 CA SER A 58 17.054 0.455 -5.407 1.00 0.00 C ATOM 870 C SER A 58 16.467 1.379 -4.339 1.00 0.00 C ATOM 871 O SER A 58 17.111 1.650 -3.326 1.00 0.00 O ATOM 872 CB SER A 58 17.091 1.166 -6.761 1.00 0.00 C ATOM 873 OG SER A 58 18.370 1.065 -7.383 1.00 0.00 O ATOM 0 H SER A 58 16.102 -1.107 -6.429 1.00 0.00 H new ATOM 0 HA SER A 58 18.077 0.198 -5.134 1.00 0.00 H new ATOM 0 HB2 SER A 58 16.334 0.736 -7.417 1.00 0.00 H new ATOM 0 HB3 SER A 58 16.836 2.217 -6.626 1.00 0.00 H new ATOM 0 HG SER A 58 18.352 1.530 -8.245 1.00 0.00 H new ATOM 879 N GLY A 59 15.252 1.838 -4.601 1.00 0.00 N ATOM 880 CA GLY A 59 14.571 2.726 -3.674 1.00 0.00 C ATOM 881 C GLY A 59 13.866 3.860 -4.420 1.00 0.00 C ATOM 882 O GLY A 59 14.313 5.006 -4.381 1.00 0.00 O ATOM 0 H GLY A 59 14.721 1.612 -5.442 1.00 0.00 H new ATOM 0 HA2 GLY A 59 13.843 2.161 -3.092 1.00 0.00 H new ATOM 0 HA3 GLY A 59 15.290 3.142 -2.968 1.00 0.00 H new ATOM 886 N GLU A 60 12.775 3.502 -5.081 1.00 0.00 N ATOM 887 CA GLU A 60 12.003 4.476 -5.835 1.00 0.00 C ATOM 888 C GLU A 60 10.514 4.127 -5.784 1.00 0.00 C ATOM 889 O GLU A 60 10.132 2.986 -6.037 1.00 0.00 O ATOM 890 CB GLU A 60 12.497 4.567 -7.280 1.00 0.00 C ATOM 891 CG GLU A 60 13.830 5.313 -7.359 1.00 0.00 C ATOM 892 CD GLU A 60 14.274 5.490 -8.812 1.00 0.00 C ATOM 893 OE1 GLU A 60 14.355 4.457 -9.510 1.00 0.00 O ATOM 894 OE2 GLU A 60 14.523 6.655 -9.191 1.00 0.00 O ATOM 0 H GLU A 60 12.407 2.551 -5.110 1.00 0.00 H new ATOM 0 HA GLU A 60 12.142 5.455 -5.377 1.00 0.00 H new ATOM 0 HB2 GLU A 60 12.613 3.565 -7.692 1.00 0.00 H new ATOM 0 HB3 GLU A 60 11.753 5.079 -7.891 1.00 0.00 H new ATOM 0 HG2 GLU A 60 13.733 6.289 -6.883 1.00 0.00 H new ATOM 0 HG3 GLU A 60 14.592 4.763 -6.807 1.00 0.00 H new ATOM 901 N LYS A 61 9.715 5.131 -5.456 1.00 0.00 N ATOM 902 CA LYS A 61 8.277 4.945 -5.369 1.00 0.00 C ATOM 903 C LYS A 61 7.675 4.991 -6.775 1.00 0.00 C ATOM 904 O LYS A 61 8.135 5.751 -7.626 1.00 0.00 O ATOM 905 CB LYS A 61 7.662 5.961 -4.403 1.00 0.00 C ATOM 906 CG LYS A 61 7.550 5.378 -2.993 1.00 0.00 C ATOM 907 CD LYS A 61 7.406 6.489 -1.951 1.00 0.00 C ATOM 908 CE LYS A 61 8.644 6.563 -1.055 1.00 0.00 C ATOM 909 NZ LYS A 61 8.491 5.670 0.116 1.00 0.00 N ATOM 0 H LYS A 61 10.036 6.076 -5.247 1.00 0.00 H new ATOM 0 HA LYS A 61 8.045 3.964 -4.954 1.00 0.00 H new ATOM 0 HB2 LYS A 61 8.274 6.863 -4.380 1.00 0.00 H new ATOM 0 HB3 LYS A 61 6.674 6.255 -4.759 1.00 0.00 H new ATOM 0 HG2 LYS A 61 6.690 4.710 -2.939 1.00 0.00 H new ATOM 0 HG3 LYS A 61 8.433 4.779 -2.772 1.00 0.00 H new ATOM 0 HD2 LYS A 61 7.257 7.446 -2.452 1.00 0.00 H new ATOM 0 HD3 LYS A 61 6.521 6.308 -1.341 1.00 0.00 H new ATOM 0 HE2 LYS A 61 9.529 6.278 -1.624 1.00 0.00 H new ATOM 0 HE3 LYS A 61 8.797 7.589 -0.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 9.245 5.867 0.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 7.565 5.836 0.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 8.555 4.679 -0.193 1.00 0.00 H new ATOM 923 N HIS A 62 6.655 4.169 -6.975 1.00 0.00 N ATOM 924 CA HIS A 62 5.986 4.107 -8.263 1.00 0.00 C ATOM 925 C HIS A 62 4.478 3.955 -8.051 1.00 0.00 C ATOM 926 O HIS A 62 4.015 2.919 -7.577 1.00 0.00 O ATOM 927 CB HIS A 62 6.578 2.993 -9.129 1.00 0.00 C ATOM 928 CG HIS A 62 7.084 3.463 -10.472 1.00 0.00 C ATOM 929 ND1 HIS A 62 8.147 4.339 -10.608 1.00 0.00 N ATOM 930 CD2 HIS A 62 6.663 3.169 -11.736 1.00 0.00 C ATOM 931 CE1 HIS A 62 8.347 4.557 -11.900 1.00 0.00 C ATOM 932 NE2 HIS A 62 7.426 3.831 -12.597 1.00 0.00 N ATOM 0 H HIS A 62 6.276 3.541 -6.267 1.00 0.00 H new ATOM 0 HA HIS A 62 6.150 5.037 -8.807 1.00 0.00 H new ATOM 0 HB2 HIS A 62 7.399 2.523 -8.587 1.00 0.00 H new ATOM 0 HB3 HIS A 62 5.819 2.227 -9.286 1.00 0.00 H new ATOM 0 HD2 HIS A 62 5.847 2.509 -11.993 1.00 0.00 H new ATOM 0 HE1 HIS A 62 9.106 5.197 -12.326 1.00 0.00 H new ATOM 0 HE2 HIS A 62 7.338 3.802 -13.613 1.00 0.00 H new ATOM 940 N GLU A 63 3.754 5.004 -8.413 1.00 0.00 N ATOM 941 CA GLU A 63 2.308 5.001 -8.268 1.00 0.00 C ATOM 942 C GLU A 63 1.654 4.357 -9.492 1.00 0.00 C ATOM 943 O GLU A 63 2.190 4.429 -10.597 1.00 0.00 O ATOM 944 CB GLU A 63 1.776 6.418 -8.044 1.00 0.00 C ATOM 945 CG GLU A 63 0.433 6.390 -7.312 1.00 0.00 C ATOM 946 CD GLU A 63 -0.592 7.283 -8.014 1.00 0.00 C ATOM 947 OE1 GLU A 63 -0.182 8.375 -8.462 1.00 0.00 O ATOM 948 OE2 GLU A 63 -1.764 6.852 -8.088 1.00 0.00 O ATOM 0 H GLU A 63 4.142 5.862 -8.806 1.00 0.00 H new ATOM 0 HA GLU A 63 2.052 4.409 -7.389 1.00 0.00 H new ATOM 0 HB2 GLU A 63 2.498 6.994 -7.465 1.00 0.00 H new ATOM 0 HB3 GLU A 63 1.661 6.923 -9.003 1.00 0.00 H new ATOM 0 HG2 GLU A 63 0.060 5.367 -7.268 1.00 0.00 H new ATOM 0 HG3 GLU A 63 0.568 6.724 -6.283 1.00 0.00 H new ATOM 955 N LEU A 64 0.505 3.741 -9.254 1.00 0.00 N ATOM 956 CA LEU A 64 -0.228 3.085 -10.323 1.00 0.00 C ATOM 957 C LEU A 64 -1.669 3.598 -10.338 1.00 0.00 C ATOM 958 O LEU A 64 -1.940 4.712 -9.891 1.00 0.00 O ATOM 959 CB LEU A 64 -0.118 1.565 -10.194 1.00 0.00 C ATOM 960 CG LEU A 64 1.171 1.037 -9.562 1.00 0.00 C ATOM 961 CD1 LEU A 64 0.949 0.661 -8.095 1.00 0.00 C ATOM 962 CD2 LEU A 64 1.742 -0.128 -10.372 1.00 0.00 C ATOM 0 H LEU A 64 0.064 3.683 -8.336 1.00 0.00 H new ATOM 0 HA LEU A 64 0.209 3.332 -11.291 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.962 1.208 -9.603 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.218 1.128 -11.188 1.00 0.00 H new ATOM 0 HG LEU A 64 1.912 1.836 -9.581 1.00 0.00 H new ATOM 0 HD11 LEU A 64 1.881 0.289 -7.670 1.00 0.00 H new ATOM 0 HD12 LEU A 64 0.622 1.540 -7.539 1.00 0.00 H new ATOM 0 HD13 LEU A 64 0.185 -0.114 -8.030 1.00 0.00 H new ATOM 0 HD21 LEU A 64 2.658 -0.484 -9.901 1.00 0.00 H new ATOM 0 HD22 LEU A 64 1.013 -0.938 -10.408 1.00 0.00 H new ATOM 0 HD23 LEU A 64 1.962 0.207 -11.386 1.00 0.00 H new ATOM 974 N GLN A 65 -2.557 2.762 -10.856 1.00 0.00 N ATOM 975 CA GLN A 65 -3.963 3.117 -10.935 1.00 0.00 C ATOM 976 C GLN A 65 -4.773 2.307 -9.920 1.00 0.00 C ATOM 977 O GLN A 65 -4.298 1.294 -9.408 1.00 0.00 O ATOM 978 CB GLN A 65 -4.502 2.914 -12.352 1.00 0.00 C ATOM 979 CG GLN A 65 -4.245 4.149 -13.218 1.00 0.00 C ATOM 980 CD GLN A 65 -5.553 4.704 -13.784 1.00 0.00 C ATOM 981 OE1 GLN A 65 -5.986 4.358 -14.871 1.00 0.00 O ATOM 982 NE2 GLN A 65 -6.157 5.583 -12.988 1.00 0.00 N ATOM 0 H GLN A 65 -2.329 1.839 -11.225 1.00 0.00 H new ATOM 0 HA GLN A 65 -4.064 4.175 -10.691 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -4.028 2.043 -12.804 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -5.572 2.709 -12.312 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -3.747 4.916 -12.625 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -3.572 3.891 -14.035 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -5.740 5.829 -12.090 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -7.037 6.011 -13.276 1.00 0.00 H new ATOM 991 N PRO A 66 -6.013 2.797 -9.651 1.00 0.00 N ATOM 992 CA PRO A 66 -6.892 2.130 -8.707 1.00 0.00 C ATOM 993 C PRO A 66 -7.488 0.859 -9.315 1.00 0.00 C ATOM 994 O PRO A 66 -8.218 0.129 -8.647 1.00 0.00 O ATOM 995 CB PRO A 66 -7.945 3.167 -8.349 1.00 0.00 C ATOM 996 CG PRO A 66 -7.889 4.214 -9.450 1.00 0.00 C ATOM 997 CD PRO A 66 -6.608 3.994 -10.238 1.00 0.00 C ATOM 0 HA PRO A 66 -6.368 1.789 -7.814 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -8.935 2.714 -8.290 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -7.740 3.612 -7.376 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -8.758 4.129 -10.103 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -7.908 5.217 -9.024 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -6.815 3.854 -11.299 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -5.939 4.851 -10.154 1.00 0.00 H new ATOM 1005 N ASN A 67 -7.155 0.633 -10.578 1.00 0.00 N ATOM 1006 CA ASN A 67 -7.647 -0.537 -11.284 1.00 0.00 C ATOM 1007 C ASN A 67 -6.477 -1.474 -11.589 1.00 0.00 C ATOM 1008 O ASN A 67 -6.674 -2.570 -12.112 1.00 0.00 O ATOM 1009 CB ASN A 67 -8.298 -0.145 -12.612 1.00 0.00 C ATOM 1010 CG ASN A 67 -7.657 1.121 -13.184 1.00 0.00 C ATOM 1011 OD1 ASN A 67 -8.222 2.202 -13.155 1.00 0.00 O ATOM 1012 ND2 ASN A 67 -6.448 0.927 -13.705 1.00 0.00 N ATOM 0 H ASN A 67 -6.550 1.241 -11.130 1.00 0.00 H new ATOM 0 HA ASN A 67 -8.386 -1.027 -10.650 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -8.197 -0.962 -13.326 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -9.365 0.019 -12.464 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -5.937 1.710 -14.113 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -6.033 -0.005 -13.697 1.00 0.00 H new ATOM 1019 N ASP A 68 -5.284 -1.008 -11.250 1.00 0.00 N ATOM 1020 CA ASP A 68 -4.081 -1.790 -11.481 1.00 0.00 C ATOM 1021 C ASP A 68 -4.083 -3.006 -10.552 1.00 0.00 C ATOM 1022 O ASP A 68 -4.201 -2.863 -9.337 1.00 0.00 O ATOM 1023 CB ASP A 68 -2.825 -0.970 -11.184 1.00 0.00 C ATOM 1024 CG ASP A 68 -1.529 -1.538 -11.766 1.00 0.00 C ATOM 1025 OD1 ASP A 68 -1.155 -2.652 -11.338 1.00 0.00 O ATOM 1026 OD2 ASP A 68 -0.941 -0.846 -12.625 1.00 0.00 O ATOM 0 H ASP A 68 -5.125 -0.098 -10.817 1.00 0.00 H new ATOM 0 HA ASP A 68 -4.073 -2.095 -12.527 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -2.968 0.039 -11.571 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -2.713 -0.884 -10.103 1.00 0.00 H new ATOM 1031 N LEU A 69 -3.950 -4.176 -11.161 1.00 0.00 N ATOM 1032 CA LEU A 69 -3.935 -5.416 -10.404 1.00 0.00 C ATOM 1033 C LEU A 69 -2.867 -5.328 -9.311 1.00 0.00 C ATOM 1034 O LEU A 69 -1.796 -4.764 -9.529 1.00 0.00 O ATOM 1035 CB LEU A 69 -3.759 -6.613 -11.340 1.00 0.00 C ATOM 1036 CG LEU A 69 -5.032 -7.132 -12.011 1.00 0.00 C ATOM 1037 CD1 LEU A 69 -4.760 -8.430 -12.774 1.00 0.00 C ATOM 1038 CD2 LEU A 69 -6.163 -7.293 -10.992 1.00 0.00 C ATOM 0 H LEU A 69 -3.852 -4.291 -12.170 1.00 0.00 H new ATOM 0 HA LEU A 69 -4.892 -5.569 -9.905 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -3.047 -6.339 -12.119 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -3.312 -7.430 -10.773 1.00 0.00 H new ATOM 0 HG LEU A 69 -5.359 -6.392 -12.741 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -5.681 -8.777 -13.241 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -4.009 -8.249 -13.543 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -4.396 -9.189 -12.082 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -7.056 -7.663 -11.495 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.860 -8.002 -10.222 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -6.379 -6.328 -10.533 1.00 0.00 H new ATOM 1050 N VAL A 70 -3.197 -5.894 -8.159 1.00 0.00 N ATOM 1051 CA VAL A 70 -2.280 -5.886 -7.032 1.00 0.00 C ATOM 1052 C VAL A 70 -1.724 -7.297 -6.823 1.00 0.00 C ATOM 1053 O VAL A 70 -1.216 -7.614 -5.749 1.00 0.00 O ATOM 1054 CB VAL A 70 -2.980 -5.330 -5.791 1.00 0.00 C ATOM 1055 CG1 VAL A 70 -2.444 -3.942 -5.435 1.00 0.00 C ATOM 1056 CG2 VAL A 70 -4.498 -5.298 -5.986 1.00 0.00 C ATOM 0 H VAL A 70 -4.086 -6.361 -7.982 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.434 -5.229 -7.233 1.00 0.00 H new ATOM 0 HB VAL A 70 -2.763 -5.997 -4.957 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -2.958 -3.570 -4.549 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -1.375 -4.006 -5.234 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -2.617 -3.261 -6.268 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -4.972 -4.899 -5.089 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -4.742 -4.664 -6.838 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -4.863 -6.309 -6.169 1.00 0.00 H new ATOM 1066 N ILE A 71 -1.839 -8.104 -7.867 1.00 0.00 N ATOM 1067 CA ILE A 71 -1.355 -9.473 -7.812 1.00 0.00 C ATOM 1068 C ILE A 71 -0.930 -9.916 -9.213 1.00 0.00 C ATOM 1069 O ILE A 71 -1.772 -10.112 -10.088 1.00 0.00 O ATOM 1070 CB ILE A 71 -2.400 -10.386 -7.168 1.00 0.00 C ATOM 1071 CG1 ILE A 71 -1.736 -11.576 -6.473 1.00 0.00 C ATOM 1072 CG2 ILE A 71 -3.445 -10.831 -8.194 1.00 0.00 C ATOM 1073 CD1 ILE A 71 -1.450 -12.702 -7.467 1.00 0.00 C ATOM 0 H ILE A 71 -2.260 -7.836 -8.756 1.00 0.00 H new ATOM 0 HA ILE A 71 -0.473 -9.540 -7.175 1.00 0.00 H new ATOM 0 HB ILE A 71 -2.924 -9.817 -6.400 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -0.806 -11.255 -6.004 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -2.383 -11.944 -5.677 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -4.176 -11.479 -7.711 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -3.950 -9.955 -8.602 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -2.954 -11.376 -9.000 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -0.978 -13.535 -6.947 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -2.385 -13.037 -7.916 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -0.783 -12.337 -8.248 1.00 0.00 H new ATOM 1191 N ARG A 80 7.423 -4.506 -4.198 1.00 0.00 N ATOM 1192 CA ARG A 80 6.305 -4.593 -3.274 1.00 0.00 C ATOM 1193 C ARG A 80 5.427 -3.345 -3.383 1.00 0.00 C ATOM 1194 O ARG A 80 5.906 -2.275 -3.755 1.00 0.00 O ATOM 1195 CB ARG A 80 6.793 -4.740 -1.831 1.00 0.00 C ATOM 1196 CG ARG A 80 6.724 -6.199 -1.375 1.00 0.00 C ATOM 1197 CD ARG A 80 7.980 -6.589 -0.592 1.00 0.00 C ATOM 1198 NE ARG A 80 8.131 -8.061 -0.579 1.00 0.00 N ATOM 1199 CZ ARG A 80 9.252 -8.697 -0.212 1.00 0.00 C ATOM 1200 NH1 ARG A 80 10.325 -7.995 0.174 1.00 0.00 N ATOM 1201 NH2 ARG A 80 9.298 -10.036 -0.231 1.00 0.00 N ATOM 0 HA ARG A 80 5.723 -5.475 -3.541 1.00 0.00 H new ATOM 0 HB2 ARG A 80 7.818 -4.378 -1.751 1.00 0.00 H new ATOM 0 HB3 ARG A 80 6.184 -4.120 -1.173 1.00 0.00 H new ATOM 0 HG2 ARG A 80 5.842 -6.348 -0.752 1.00 0.00 H new ATOM 0 HG3 ARG A 80 6.615 -6.850 -2.242 1.00 0.00 H new ATOM 0 HD2 ARG A 80 8.858 -6.129 -1.045 1.00 0.00 H new ATOM 0 HD3 ARG A 80 7.914 -6.213 0.429 1.00 0.00 H new ATOM 0 HE ARG A 80 7.333 -8.626 -0.867 1.00 0.00 H new ATOM 0 HH11 ARG A 80 10.289 -6.976 0.189 1.00 0.00 H new ATOM 0 HH12 ARG A 80 11.178 -8.480 0.453 1.00 0.00 H new ATOM 0 HH21 ARG A 80 8.480 -10.570 -0.525 1.00 0.00 H new ATOM 0 HH22 ARG A 80 10.151 -10.521 0.048 1.00 0.00 H new ATOM 1215 N ILE A 81 4.156 -3.524 -3.053 1.00 0.00 N ATOM 1216 CA ILE A 81 3.207 -2.425 -3.110 1.00 0.00 C ATOM 1217 C ILE A 81 3.259 -1.643 -1.796 1.00 0.00 C ATOM 1218 O ILE A 81 3.478 -2.222 -0.733 1.00 0.00 O ATOM 1219 CB ILE A 81 1.810 -2.941 -3.463 1.00 0.00 C ATOM 1220 CG1 ILE A 81 1.836 -3.747 -4.763 1.00 0.00 C ATOM 1221 CG2 ILE A 81 0.800 -1.794 -3.520 1.00 0.00 C ATOM 1222 CD1 ILE A 81 2.393 -2.910 -5.916 1.00 0.00 C ATOM 0 H ILE A 81 3.762 -4.413 -2.745 1.00 0.00 H new ATOM 0 HA ILE A 81 3.476 -1.731 -3.906 1.00 0.00 H new ATOM 0 HB ILE A 81 1.485 -3.616 -2.672 1.00 0.00 H new ATOM 0 HG12 ILE A 81 2.446 -4.640 -4.629 1.00 0.00 H new ATOM 0 HG13 ILE A 81 0.828 -4.083 -5.007 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -0.184 -2.188 -3.773 1.00 0.00 H new ATOM 0 HG22 ILE A 81 0.755 -1.300 -2.549 1.00 0.00 H new ATOM 0 HG23 ILE A 81 1.109 -1.075 -4.279 1.00 0.00 H new ATOM 0 HD11 ILE A 81 2.401 -3.507 -6.828 1.00 0.00 H new ATOM 0 HD12 ILE A 81 1.766 -2.030 -6.063 1.00 0.00 H new ATOM 0 HD13 ILE A 81 3.410 -2.596 -5.680 1.00 0.00 H new ATOM 1234 N TYR A 82 3.055 -0.339 -1.912 1.00 0.00 N ATOM 1235 CA TYR A 82 3.076 0.529 -0.747 1.00 0.00 C ATOM 1236 C TYR A 82 1.989 1.600 -0.841 1.00 0.00 C ATOM 1237 O TYR A 82 1.761 2.167 -1.909 1.00 0.00 O ATOM 1238 CB TYR A 82 4.447 1.208 -0.752 1.00 0.00 C ATOM 1239 CG TYR A 82 5.611 0.264 -0.443 1.00 0.00 C ATOM 1240 CD1 TYR A 82 6.096 -0.577 -1.424 1.00 0.00 C ATOM 1241 CD2 TYR A 82 6.175 0.253 0.816 1.00 0.00 C ATOM 1242 CE1 TYR A 82 7.192 -1.465 -1.134 1.00 0.00 C ATOM 1243 CE2 TYR A 82 7.270 -0.636 1.107 1.00 0.00 C ATOM 1244 CZ TYR A 82 7.725 -1.451 0.118 1.00 0.00 C ATOM 1245 OH TYR A 82 8.759 -2.290 0.392 1.00 0.00 O ATOM 0 H TYR A 82 2.874 0.138 -2.795 1.00 0.00 H new ATOM 0 HA TYR A 82 2.897 -0.045 0.162 1.00 0.00 H new ATOM 0 HB2 TYR A 82 4.612 1.664 -1.728 1.00 0.00 H new ATOM 0 HB3 TYR A 82 4.444 2.016 -0.020 1.00 0.00 H new ATOM 0 HD1 TYR A 82 5.654 -0.569 -2.409 1.00 0.00 H new ATOM 0 HD2 TYR A 82 5.795 0.911 1.583 1.00 0.00 H new ATOM 0 HE1 TYR A 82 7.582 -2.127 -1.893 1.00 0.00 H new ATOM 0 HE2 TYR A 82 7.720 -0.655 2.089 1.00 0.00 H new ATOM 0 HH TYR A 82 8.541 -2.832 1.179 1.00 0.00 H new ATOM 1255 N VAL A 83 1.345 1.846 0.291 1.00 0.00 N ATOM 1256 CA VAL A 83 0.287 2.840 0.349 1.00 0.00 C ATOM 1257 C VAL A 83 0.811 4.096 1.050 1.00 0.00 C ATOM 1258 O VAL A 83 1.735 4.020 1.858 1.00 0.00 O ATOM 1259 CB VAL A 83 -0.950 2.249 1.029 1.00 0.00 C ATOM 1260 CG1 VAL A 83 -0.626 1.790 2.452 1.00 0.00 C ATOM 1261 CG2 VAL A 83 -2.108 3.248 1.025 1.00 0.00 C ATOM 0 H VAL A 83 1.536 1.374 1.175 1.00 0.00 H new ATOM 0 HA VAL A 83 -0.019 3.131 -0.656 1.00 0.00 H new ATOM 0 HB VAL A 83 -1.261 1.374 0.458 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -1.522 1.374 2.913 1.00 0.00 H new ATOM 0 HG12 VAL A 83 0.153 1.028 2.420 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -0.278 2.640 3.038 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -2.974 2.803 1.514 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -1.812 4.150 1.561 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -2.364 3.504 -0.003 1.00 0.00 H new ATOM 1271 N TYR A 84 0.198 5.221 0.714 1.00 0.00 N ATOM 1272 CA TYR A 84 0.590 6.491 1.300 1.00 0.00 C ATOM 1273 C TYR A 84 -0.565 7.494 1.261 1.00 0.00 C ATOM 1274 O TYR A 84 -1.626 7.202 0.712 1.00 0.00 O ATOM 1275 CB TYR A 84 1.737 7.019 0.435 1.00 0.00 C ATOM 1276 CG TYR A 84 2.986 6.136 0.451 1.00 0.00 C ATOM 1277 CD1 TYR A 84 3.655 5.908 1.637 1.00 0.00 C ATOM 1278 CD2 TYR A 84 3.444 5.566 -0.720 1.00 0.00 C ATOM 1279 CE1 TYR A 84 4.831 5.077 1.652 1.00 0.00 C ATOM 1280 CE2 TYR A 84 4.619 4.735 -0.705 1.00 0.00 C ATOM 1281 CZ TYR A 84 5.255 4.531 0.481 1.00 0.00 C ATOM 1282 OH TYR A 84 6.365 3.746 0.495 1.00 0.00 O ATOM 0 H TYR A 84 -0.568 5.279 0.043 1.00 0.00 H new ATOM 0 HA TYR A 84 0.879 6.359 2.343 1.00 0.00 H new ATOM 0 HB2 TYR A 84 1.388 7.118 -0.593 1.00 0.00 H new ATOM 0 HB3 TYR A 84 2.007 8.018 0.777 1.00 0.00 H new ATOM 0 HD1 TYR A 84 3.296 6.353 2.553 1.00 0.00 H new ATOM 0 HD2 TYR A 84 2.920 5.744 -1.648 1.00 0.00 H new ATOM 0 HE1 TYR A 84 5.364 4.892 2.573 1.00 0.00 H new ATOM 0 HE2 TYR A 84 4.988 4.284 -1.614 1.00 0.00 H new ATOM 0 HH TYR A 84 6.217 2.981 1.089 1.00 0.00 H new ATOM 1292 N ARG A 85 -0.319 8.654 1.852 1.00 0.00 N ATOM 1293 CA ARG A 85 -1.326 9.701 1.892 1.00 0.00 C ATOM 1294 C ARG A 85 -1.173 10.631 0.686 1.00 0.00 C ATOM 1295 O ARG A 85 -0.103 11.195 0.465 1.00 0.00 O ATOM 1296 CB ARG A 85 -1.215 10.523 3.178 1.00 0.00 C ATOM 1297 CG ARG A 85 -2.592 10.744 3.807 1.00 0.00 C ATOM 1298 CD ARG A 85 -3.247 12.015 3.263 1.00 0.00 C ATOM 1299 NE ARG A 85 -3.551 12.944 4.374 1.00 0.00 N ATOM 1300 CZ ARG A 85 -4.158 14.128 4.218 1.00 0.00 C ATOM 1301 NH1 ARG A 85 -4.530 14.534 2.997 1.00 0.00 N ATOM 1302 NH2 ARG A 85 -4.394 14.905 5.284 1.00 0.00 N ATOM 0 H ARG A 85 0.562 8.892 2.307 1.00 0.00 H new ATOM 0 HA ARG A 85 -2.304 9.221 1.864 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -0.565 10.010 3.887 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -0.752 11.485 2.960 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -3.231 9.885 3.602 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -2.493 10.817 4.890 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -2.583 12.498 2.546 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -4.163 11.762 2.729 1.00 0.00 H new ATOM 0 HE ARG A 85 -3.282 12.665 5.318 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -4.351 13.942 2.186 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -4.992 15.435 2.878 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -4.111 14.595 6.214 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -4.856 15.807 5.166 1.00 0.00 H new ATOM 1316 N LYS A 86 -2.259 10.761 -0.062 1.00 0.00 N ATOM 1317 CA LYS A 86 -2.259 11.612 -1.240 1.00 0.00 C ATOM 1318 C LYS A 86 -2.088 13.070 -0.809 1.00 0.00 C ATOM 1319 O LYS A 86 -2.741 13.525 0.129 1.00 0.00 O ATOM 1320 CB LYS A 86 -3.512 11.362 -2.081 1.00 0.00 C ATOM 1321 CG LYS A 86 -3.487 9.963 -2.700 1.00 0.00 C ATOM 1322 CD LYS A 86 -3.878 10.010 -4.179 1.00 0.00 C ATOM 1323 CE LYS A 86 -2.638 10.003 -5.075 1.00 0.00 C ATOM 1324 NZ LYS A 86 -2.643 11.177 -5.975 1.00 0.00 N ATOM 0 H LYS A 86 -3.145 10.291 0.125 1.00 0.00 H new ATOM 0 HA LYS A 86 -1.416 11.369 -1.887 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -4.400 11.472 -1.459 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -3.580 12.111 -2.870 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -2.490 9.534 -2.597 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -4.172 9.310 -2.160 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -4.509 9.154 -4.419 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -4.467 10.906 -4.375 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -1.738 10.012 -4.460 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -2.613 9.086 -5.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -1.795 11.157 -6.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -3.493 11.152 -6.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -2.645 12.049 -5.408 1.00 0.00 H new ATOM 1424 N ASN A 93 4.446 9.244 -0.564 1.00 0.00 N ATOM 1425 CA ASN A 93 5.495 9.257 0.441 1.00 0.00 C ATOM 1426 C ASN A 93 5.033 8.464 1.666 1.00 0.00 C ATOM 1427 O ASN A 93 3.834 8.331 1.907 1.00 0.00 O ATOM 1428 CB ASN A 93 5.808 10.685 0.893 1.00 0.00 C ATOM 1429 CG ASN A 93 7.159 11.150 0.346 1.00 0.00 C ATOM 1430 OD1 ASN A 93 8.189 11.041 0.989 1.00 0.00 O ATOM 1431 ND2 ASN A 93 7.096 11.673 -0.876 1.00 0.00 N ATOM 0 HA ASN A 93 6.388 8.814 0.001 1.00 0.00 H new ATOM 0 HB2 ASN A 93 5.022 11.359 0.552 1.00 0.00 H new ATOM 0 HB3 ASN A 93 5.817 10.732 1.982 1.00 0.00 H new ATOM 0 HD21 ASN A 93 7.944 12.012 -1.330 1.00 0.00 H new ATOM 0 HD22 ASN A 93 6.200 11.734 -1.359 1.00 0.00 H new ATOM 1438 N PRO A 94 6.034 7.946 2.426 1.00 0.00 N ATOM 1439 CA PRO A 94 5.742 7.170 3.620 1.00 0.00 C ATOM 1440 C PRO A 94 5.293 8.078 4.767 1.00 0.00 C ATOM 1441 O PRO A 94 6.002 9.011 5.139 1.00 0.00 O ATOM 1442 CB PRO A 94 7.027 6.419 3.925 1.00 0.00 C ATOM 1443 CG PRO A 94 8.127 7.151 3.172 1.00 0.00 C ATOM 1444 CD PRO A 94 7.465 8.084 2.172 1.00 0.00 C ATOM 0 HA PRO A 94 4.915 6.475 3.478 1.00 0.00 H new ATOM 0 HB2 PRO A 94 7.228 6.408 4.996 1.00 0.00 H new ATOM 0 HB3 PRO A 94 6.958 5.380 3.603 1.00 0.00 H new ATOM 0 HG2 PRO A 94 8.753 7.715 3.864 1.00 0.00 H new ATOM 0 HG3 PRO A 94 8.777 6.441 2.660 1.00 0.00 H new ATOM 0 HD2 PRO A 94 7.795 9.113 2.313 1.00 0.00 H new ATOM 0 HD3 PRO A 94 7.714 7.807 1.148 1.00 0.00 H new ATOM 1452 N PHE A 95 4.118 7.771 5.297 1.00 0.00 N ATOM 1453 CA PHE A 95 3.566 8.547 6.394 1.00 0.00 C ATOM 1454 C PHE A 95 4.633 8.837 7.451 1.00 0.00 C ATOM 1455 O PHE A 95 5.243 9.906 7.446 1.00 0.00 O ATOM 1456 CB PHE A 95 2.456 7.704 7.025 1.00 0.00 C ATOM 1457 CG PHE A 95 1.069 7.955 6.430 1.00 0.00 C ATOM 1458 CD1 PHE A 95 0.382 9.082 6.759 1.00 0.00 C ATOM 1459 CD2 PHE A 95 0.523 7.052 5.572 1.00 0.00 C ATOM 1460 CE1 PHE A 95 -0.905 9.315 6.207 1.00 0.00 C ATOM 1461 CE2 PHE A 95 -0.764 7.285 5.020 1.00 0.00 C ATOM 1462 CZ PHE A 95 -1.451 8.412 5.349 1.00 0.00 C ATOM 0 H PHE A 95 3.533 6.995 4.987 1.00 0.00 H new ATOM 0 HA PHE A 95 3.191 9.501 6.023 1.00 0.00 H new ATOM 0 HB2 PHE A 95 2.704 6.649 6.909 1.00 0.00 H new ATOM 0 HB3 PHE A 95 2.423 7.908 8.095 1.00 0.00 H new ATOM 0 HD1 PHE A 95 0.816 9.799 7.440 1.00 0.00 H new ATOM 0 HD2 PHE A 95 1.069 6.157 5.311 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -1.451 10.210 6.468 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -1.198 6.568 4.339 1.00 0.00 H new ATOM 0 HZ PHE A 95 -2.430 8.590 4.929 1.00 0.00 H new