USER MOD reduce.3.24.130724 H: found=0, std=0, add=685, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 686 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 23 HIS : no HE2:sc= -3.17 K(o=-3.2,f=-4.8!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot -126:sc= 1.14 USER MOD Single : A 28 TYR OH : rot 180:sc=-0.00543 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl 177:sc= 0 (180deg=-0.0224) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 173:sc= -1.32 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -0.551 X(o=-0.55,f=-0.48) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 HIS : no HD1:sc= -0.317 K(o=-0.32,f=-1.1) USER MOD Single : A 79 THR OG1 : rot -50:sc= -2.87! USER MOD Single : A 84 CYS SG : rot 75:sc= -1.18 USER MOD Single : A 85 CYS SG : rot -28:sc= 0.00192 USER MOD Single : A 94 SER OG : rot -93:sc= -0.288 USER MOD Single : A 96 ASN : amide:sc= -0.187 X(o=-0.19,f=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 SER OG : rot 159:sc= -1.91 USER MOD Single : A 105 ASN : amide:sc= -2.57 K(o=-2.6,f=-6.4!) USER MOD ----------------------------------------------------------------- ATOM 56 N VAL A 20 -4.797 -13.878 -8.323 1.00 0.00 N ATOM 57 CA VAL A 20 -4.745 -12.437 -8.100 1.00 0.00 C ATOM 58 C VAL A 20 -4.323 -11.686 -9.359 1.00 0.00 C ATOM 59 O VAL A 20 -3.891 -12.287 -10.342 1.00 0.00 O ATOM 60 CB VAL A 20 -3.760 -12.086 -6.970 1.00 0.00 C ATOM 61 CG1 VAL A 20 -4.255 -12.627 -5.639 1.00 0.00 C ATOM 62 CG2 VAL A 20 -2.372 -12.620 -7.289 1.00 0.00 C ATOM 0 HA VAL A 20 -5.753 -12.131 -7.821 1.00 0.00 H new ATOM 0 HB VAL A 20 -3.699 -11.001 -6.891 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.544 -12.368 -4.854 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -5.227 -12.190 -5.407 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -4.350 -13.711 -5.699 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.688 -12.363 -6.480 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -2.415 -13.704 -7.397 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -2.016 -12.176 -8.219 1.00 0.00 H new ATOM 72 N GLU A 21 -4.444 -10.364 -9.313 1.00 0.00 N ATOM 73 CA GLU A 21 -4.070 -9.518 -10.438 1.00 0.00 C ATOM 74 C GLU A 21 -3.213 -8.350 -9.965 1.00 0.00 C ATOM 75 O GLU A 21 -3.625 -7.577 -9.099 1.00 0.00 O ATOM 76 CB GLU A 21 -5.320 -8.998 -11.153 1.00 0.00 C ATOM 77 CG GLU A 21 -5.584 -9.676 -12.487 1.00 0.00 C ATOM 78 CD GLU A 21 -6.753 -9.062 -13.230 1.00 0.00 C ATOM 79 OE1 GLU A 21 -7.080 -7.887 -12.957 1.00 0.00 O ATOM 80 OE2 GLU A 21 -7.343 -9.753 -14.088 1.00 0.00 O ATOM 0 H GLU A 21 -4.800 -9.854 -8.504 1.00 0.00 H new ATOM 0 HA GLU A 21 -3.488 -10.116 -11.139 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -6.185 -9.141 -10.505 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -5.216 -7.925 -11.314 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -4.690 -9.611 -13.107 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -5.780 -10.735 -12.320 1.00 0.00 H new ATOM 87 N LEU A 22 -2.016 -8.232 -10.527 1.00 0.00 N ATOM 88 CA LEU A 22 -1.100 -7.166 -10.152 1.00 0.00 C ATOM 89 C LEU A 22 -1.701 -5.790 -10.414 1.00 0.00 C ATOM 90 O LEU A 22 -2.490 -5.608 -11.342 1.00 0.00 O ATOM 91 CB LEU A 22 0.210 -7.314 -10.916 1.00 0.00 C ATOM 92 CG LEU A 22 1.245 -8.197 -10.232 1.00 0.00 C ATOM 93 CD1 LEU A 22 2.427 -8.450 -11.156 1.00 0.00 C ATOM 94 CD2 LEU A 22 1.705 -7.558 -8.927 1.00 0.00 C ATOM 0 H LEU A 22 -1.658 -8.863 -11.244 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.911 -7.250 -9.082 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.004 -7.725 -11.903 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.640 -6.324 -11.069 1.00 0.00 H new ATOM 0 HG LEU A 22 0.785 -9.158 -10.001 1.00 0.00 H new ATOM 0 HD11 LEU A 22 3.156 -9.083 -10.650 1.00 0.00 H new ATOM 0 HD12 LEU A 22 2.081 -8.948 -12.061 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.892 -7.500 -11.420 1.00 0.00 H new ATOM 0 HD21 LEU A 22 2.445 -8.200 -8.449 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.149 -6.585 -9.135 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.850 -7.432 -8.263 1.00 0.00 H new ATOM 106 N HIS A 23 -1.315 -4.826 -9.585 1.00 0.00 N ATOM 107 CA HIS A 23 -1.804 -3.460 -9.714 1.00 0.00 C ATOM 108 C HIS A 23 -0.899 -2.500 -8.943 1.00 0.00 C ATOM 109 O HIS A 23 -0.694 -2.655 -7.737 1.00 0.00 O ATOM 110 CB HIS A 23 -3.256 -3.376 -9.214 1.00 0.00 C ATOM 111 CG HIS A 23 -3.577 -2.132 -8.441 1.00 0.00 C ATOM 112 ND1 HIS A 23 -3.375 -0.861 -8.938 1.00 0.00 N ATOM 113 CD2 HIS A 23 -4.089 -1.971 -7.197 1.00 0.00 C ATOM 114 CE1 HIS A 23 -3.748 0.027 -8.033 1.00 0.00 C ATOM 115 NE2 HIS A 23 -4.186 -0.621 -6.969 1.00 0.00 N ATOM 0 H HIS A 23 -0.662 -4.967 -8.814 1.00 0.00 H new ATOM 0 HA HIS A 23 -1.786 -3.168 -10.764 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -3.926 -3.439 -10.071 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -3.461 -4.242 -8.585 1.00 0.00 H new ATOM 0 HD1 HIS A 23 -2.997 -0.641 -9.860 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -4.369 -2.758 -6.512 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -3.702 1.100 -8.145 1.00 0.00 H new ATOM 124 N LYS A 24 -0.359 -1.509 -9.645 1.00 0.00 N ATOM 125 CA LYS A 24 0.522 -0.525 -9.028 1.00 0.00 C ATOM 126 C LYS A 24 -0.272 0.409 -8.122 1.00 0.00 C ATOM 127 O LYS A 24 -1.179 1.107 -8.576 1.00 0.00 O ATOM 128 CB LYS A 24 1.256 0.283 -10.101 1.00 0.00 C ATOM 129 CG LYS A 24 2.731 0.500 -9.798 1.00 0.00 C ATOM 130 CD LYS A 24 3.309 1.633 -10.629 1.00 0.00 C ATOM 131 CE LYS A 24 4.725 1.324 -11.083 1.00 0.00 C ATOM 132 NZ LYS A 24 5.711 1.491 -9.980 1.00 0.00 N ATOM 0 H LYS A 24 -0.517 -1.366 -10.643 1.00 0.00 H new ATOM 0 HA LYS A 24 1.258 -1.056 -8.424 1.00 0.00 H new ATOM 0 HB2 LYS A 24 1.162 -0.230 -11.058 1.00 0.00 H new ATOM 0 HB3 LYS A 24 0.770 1.252 -10.210 1.00 0.00 H new ATOM 0 HG2 LYS A 24 2.857 0.723 -8.739 1.00 0.00 H new ATOM 0 HG3 LYS A 24 3.284 -0.418 -9.998 1.00 0.00 H new ATOM 0 HD2 LYS A 24 2.676 1.807 -11.500 1.00 0.00 H new ATOM 0 HD3 LYS A 24 3.306 2.553 -10.044 1.00 0.00 H new ATOM 0 HE2 LYS A 24 4.771 0.302 -11.459 1.00 0.00 H new ATOM 0 HE3 LYS A 24 4.992 1.981 -11.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 6.665 1.271 -10.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 5.686 2.473 -9.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 5.472 0.846 -9.200 1.00 0.00 H new ATOM 146 N VAL A 25 0.067 0.413 -6.837 1.00 0.00 N ATOM 147 CA VAL A 25 -0.627 1.256 -5.870 1.00 0.00 C ATOM 148 C VAL A 25 0.315 2.278 -5.242 1.00 0.00 C ATOM 149 O VAL A 25 1.503 2.018 -5.056 1.00 0.00 O ATOM 150 CB VAL A 25 -1.274 0.428 -4.738 1.00 0.00 C ATOM 151 CG1 VAL A 25 -2.647 0.983 -4.385 1.00 0.00 C ATOM 152 CG2 VAL A 25 -1.371 -1.045 -5.120 1.00 0.00 C ATOM 0 H VAL A 25 0.816 -0.156 -6.442 1.00 0.00 H new ATOM 0 HA VAL A 25 -1.409 1.771 -6.428 1.00 0.00 H new ATOM 0 HB VAL A 25 -0.634 0.505 -3.859 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -3.086 0.386 -3.586 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -2.547 2.017 -4.053 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.292 0.944 -5.263 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -1.830 -1.603 -4.304 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -1.980 -1.149 -6.018 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -0.372 -1.438 -5.311 1.00 0.00 H new ATOM 162 N THR A 26 -0.239 3.436 -4.905 1.00 0.00 N ATOM 163 CA THR A 26 0.525 4.507 -4.279 1.00 0.00 C ATOM 164 C THR A 26 -0.259 5.084 -3.103 1.00 0.00 C ATOM 165 O THR A 26 -1.258 5.778 -3.294 1.00 0.00 O ATOM 166 CB THR A 26 0.833 5.608 -5.296 1.00 0.00 C ATOM 167 OG1 THR A 26 1.598 5.095 -6.373 1.00 0.00 O ATOM 168 CG2 THR A 26 1.593 6.775 -4.707 1.00 0.00 C ATOM 0 H THR A 26 -1.223 3.658 -5.057 1.00 0.00 H new ATOM 0 HA THR A 26 1.467 4.099 -3.914 1.00 0.00 H new ATOM 0 HB THR A 26 -0.139 5.966 -5.636 1.00 0.00 H new ATOM 0 HG1 THR A 26 2.413 5.629 -6.479 1.00 0.00 H new ATOM 0 HG21 THR A 26 1.778 7.518 -5.483 1.00 0.00 H new ATOM 0 HG22 THR A 26 1.006 7.225 -3.906 1.00 0.00 H new ATOM 0 HG23 THR A 26 2.544 6.425 -4.306 1.00 0.00 H new ATOM 176 N LEU A 27 0.181 4.776 -1.887 1.00 0.00 N ATOM 177 CA LEU A 27 -0.505 5.251 -0.689 1.00 0.00 C ATOM 178 C LEU A 27 0.201 6.448 -0.063 1.00 0.00 C ATOM 179 O LEU A 27 1.289 6.839 -0.484 1.00 0.00 O ATOM 180 CB LEU A 27 -0.607 4.122 0.337 1.00 0.00 C ATOM 181 CG LEU A 27 -1.162 2.806 -0.206 1.00 0.00 C ATOM 182 CD1 LEU A 27 -0.813 1.655 0.725 1.00 0.00 C ATOM 183 CD2 LEU A 27 -2.669 2.905 -0.398 1.00 0.00 C ATOM 0 H LEU A 27 1.005 4.203 -1.705 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.502 5.572 -0.990 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.384 3.938 0.752 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -1.240 4.455 1.159 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.704 2.611 -1.176 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.216 0.726 0.322 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.270 1.573 0.812 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -1.243 1.840 1.709 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.049 1.960 -0.785 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -3.144 3.123 0.559 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -2.894 3.704 -1.105 1.00 0.00 H new ATOM 195 N TYR A 28 -0.437 7.018 0.956 1.00 0.00 N ATOM 196 CA TYR A 28 0.109 8.167 1.667 1.00 0.00 C ATOM 197 C TYR A 28 0.024 7.947 3.174 1.00 0.00 C ATOM 198 O TYR A 28 -0.672 7.044 3.637 1.00 0.00 O ATOM 199 CB TYR A 28 -0.645 9.440 1.280 1.00 0.00 C ATOM 200 CG TYR A 28 -0.547 9.778 -0.191 1.00 0.00 C ATOM 201 CD1 TYR A 28 -1.109 8.948 -1.152 1.00 0.00 C ATOM 202 CD2 TYR A 28 0.109 10.927 -0.616 1.00 0.00 C ATOM 203 CE1 TYR A 28 -1.022 9.254 -2.498 1.00 0.00 C ATOM 204 CE2 TYR A 28 0.201 11.240 -1.960 1.00 0.00 C ATOM 205 CZ TYR A 28 -0.366 10.400 -2.895 1.00 0.00 C ATOM 206 OH TYR A 28 -0.276 10.708 -4.233 1.00 0.00 O ATOM 0 H TYR A 28 -1.339 6.699 1.309 1.00 0.00 H new ATOM 0 HA TYR A 28 1.156 8.281 1.387 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -1.695 9.326 1.549 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -0.255 10.275 1.863 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -1.622 8.049 -0.843 1.00 0.00 H new ATOM 0 HD2 TYR A 28 0.554 11.586 0.115 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -1.465 8.599 -3.234 1.00 0.00 H new ATOM 0 HE2 TYR A 28 0.714 12.137 -2.275 1.00 0.00 H new ATOM 0 HH TYR A 28 0.216 11.548 -4.343 1.00 0.00 H new ATOM 216 N LYS A 29 0.733 8.772 3.936 1.00 0.00 N ATOM 217 CA LYS A 29 0.729 8.652 5.390 1.00 0.00 C ATOM 218 C LYS A 29 0.551 10.011 6.057 1.00 0.00 C ATOM 219 O LYS A 29 0.781 11.052 5.444 1.00 0.00 O ATOM 220 CB LYS A 29 2.026 8.001 5.874 1.00 0.00 C ATOM 221 CG LYS A 29 1.826 7.041 7.035 1.00 0.00 C ATOM 222 CD LYS A 29 2.150 7.700 8.366 1.00 0.00 C ATOM 223 CE LYS A 29 3.635 7.612 8.685 1.00 0.00 C ATOM 224 NZ LYS A 29 3.958 6.402 9.491 1.00 0.00 N ATOM 0 H LYS A 29 1.315 9.527 3.574 1.00 0.00 H new ATOM 0 HA LYS A 29 -0.115 8.021 5.669 1.00 0.00 H new ATOM 0 HB2 LYS A 29 2.485 7.464 5.044 1.00 0.00 H new ATOM 0 HB3 LYS A 29 2.725 8.782 6.175 1.00 0.00 H new ATOM 0 HG2 LYS A 29 0.794 6.689 7.044 1.00 0.00 H new ATOM 0 HG3 LYS A 29 2.460 6.165 6.898 1.00 0.00 H new ATOM 0 HD2 LYS A 29 1.844 8.746 8.339 1.00 0.00 H new ATOM 0 HD3 LYS A 29 1.577 7.220 9.160 1.00 0.00 H new ATOM 0 HE2 LYS A 29 4.205 7.593 7.756 1.00 0.00 H new ATOM 0 HE3 LYS A 29 3.943 8.504 9.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 4.979 6.378 9.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 3.433 6.432 10.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 3.688 5.549 8.961 1.00 0.00 H new ATOM 238 N ASP A 30 0.145 9.988 7.324 1.00 0.00 N ATOM 239 CA ASP A 30 -0.061 11.212 8.085 1.00 0.00 C ATOM 240 C ASP A 30 0.667 11.142 9.425 1.00 0.00 C ATOM 241 O ASP A 30 0.810 10.067 10.009 1.00 0.00 O ATOM 242 CB ASP A 30 -1.556 11.453 8.310 1.00 0.00 C ATOM 243 CG ASP A 30 -2.099 12.564 7.432 1.00 0.00 C ATOM 244 OD1 ASP A 30 -1.968 12.461 6.194 1.00 0.00 O ATOM 245 OD2 ASP A 30 -2.657 13.536 7.983 1.00 0.00 O ATOM 0 H ASP A 30 -0.048 9.132 7.844 1.00 0.00 H new ATOM 0 HA ASP A 30 0.348 12.044 7.512 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -2.104 10.533 8.108 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -1.728 11.704 9.357 1.00 0.00 H new ATOM 250 N SER A 31 1.127 12.291 9.906 1.00 0.00 N ATOM 251 CA SER A 31 1.843 12.359 11.177 1.00 0.00 C ATOM 252 C SER A 31 0.989 11.816 12.320 1.00 0.00 C ATOM 253 O SER A 31 1.515 11.361 13.336 1.00 0.00 O ATOM 254 CB SER A 31 2.258 13.801 11.475 1.00 0.00 C ATOM 255 OG SER A 31 3.251 14.244 10.568 1.00 0.00 O ATOM 0 H SER A 31 1.018 13.189 9.436 1.00 0.00 H new ATOM 0 HA SER A 31 2.736 11.739 11.093 1.00 0.00 H new ATOM 0 HB2 SER A 31 1.387 14.453 11.413 1.00 0.00 H new ATOM 0 HB3 SER A 31 2.636 13.870 12.495 1.00 0.00 H new ATOM 0 HG SER A 31 3.498 15.169 10.779 1.00 0.00 H new ATOM 261 N GLY A 32 -0.328 11.868 12.150 1.00 0.00 N ATOM 262 CA GLY A 32 -1.227 11.381 13.180 1.00 0.00 C ATOM 263 C GLY A 32 -1.640 9.935 12.967 1.00 0.00 C ATOM 264 O GLY A 32 -2.173 9.298 13.875 1.00 0.00 O ATOM 0 H GLY A 32 -0.788 12.238 11.318 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -0.743 11.476 14.152 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -2.118 12.008 13.204 1.00 0.00 H new ATOM 268 N MET A 33 -1.398 9.415 11.766 1.00 0.00 N ATOM 269 CA MET A 33 -1.755 8.037 11.447 1.00 0.00 C ATOM 270 C MET A 33 -0.701 7.064 11.968 1.00 0.00 C ATOM 271 O MET A 33 0.490 7.368 11.976 1.00 0.00 O ATOM 272 CB MET A 33 -1.917 7.868 9.935 1.00 0.00 C ATOM 273 CG MET A 33 -3.307 8.220 9.429 1.00 0.00 C ATOM 274 SD MET A 33 -4.466 6.844 9.566 1.00 0.00 S ATOM 275 CE MET A 33 -5.811 7.620 10.457 1.00 0.00 C ATOM 0 H MET A 33 -0.958 9.926 11.001 1.00 0.00 H new ATOM 0 HA MET A 33 -2.703 7.812 11.936 1.00 0.00 H new ATOM 0 HB2 MET A 33 -1.185 8.496 9.427 1.00 0.00 H new ATOM 0 HB3 MET A 33 -1.692 6.836 9.667 1.00 0.00 H new ATOM 0 HG2 MET A 33 -3.690 9.070 9.993 1.00 0.00 H new ATOM 0 HG3 MET A 33 -3.242 8.532 8.387 1.00 0.00 H new ATOM 0 HE1 MET A 33 -6.629 6.909 10.572 1.00 0.00 H new ATOM 0 HE2 MET A 33 -5.462 7.934 11.441 1.00 0.00 H new ATOM 0 HE3 MET A 33 -6.162 8.490 9.901 1.00 0.00 H new ATOM 285 N GLU A 34 -1.153 5.892 12.403 1.00 0.00 N ATOM 286 CA GLU A 34 -0.252 4.868 12.926 1.00 0.00 C ATOM 287 C GLU A 34 0.200 3.913 11.823 1.00 0.00 C ATOM 288 O GLU A 34 1.102 3.100 12.028 1.00 0.00 O ATOM 289 CB GLU A 34 -0.934 4.084 14.048 1.00 0.00 C ATOM 290 CG GLU A 34 0.003 3.145 14.789 1.00 0.00 C ATOM 291 CD GLU A 34 -0.692 2.384 15.902 1.00 0.00 C ATOM 292 OE1 GLU A 34 -1.679 2.912 16.454 1.00 0.00 O ATOM 293 OE2 GLU A 34 -0.250 1.260 16.219 1.00 0.00 O ATOM 0 H GLU A 34 -2.138 5.627 12.404 1.00 0.00 H new ATOM 0 HA GLU A 34 0.630 5.370 13.324 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -1.368 4.787 14.759 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -1.757 3.506 13.628 1.00 0.00 H new ATOM 0 HG2 GLU A 34 0.433 2.435 14.082 1.00 0.00 H new ATOM 0 HG3 GLU A 34 0.830 3.719 15.208 1.00 0.00 H new ATOM 300 N ASP A 35 -0.429 4.015 10.658 1.00 0.00 N ATOM 301 CA ASP A 35 -0.091 3.160 9.526 1.00 0.00 C ATOM 302 C ASP A 35 -0.446 3.846 8.210 1.00 0.00 C ATOM 303 O ASP A 35 -0.724 5.043 8.182 1.00 0.00 O ATOM 304 CB ASP A 35 -0.821 1.819 9.642 1.00 0.00 C ATOM 305 CG ASP A 35 -2.327 1.969 9.545 1.00 0.00 C ATOM 306 OD1 ASP A 35 -2.945 2.418 10.535 1.00 0.00 O ATOM 307 OD2 ASP A 35 -2.889 1.635 8.481 1.00 0.00 O ATOM 0 H ASP A 35 -1.177 4.683 10.472 1.00 0.00 H new ATOM 0 HA ASP A 35 0.984 2.977 9.538 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -0.474 1.150 8.854 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -0.566 1.351 10.593 1.00 0.00 H new ATOM 312 N PHE A 36 -0.430 3.085 7.118 1.00 0.00 N ATOM 313 CA PHE A 36 -0.745 3.637 5.807 1.00 0.00 C ATOM 314 C PHE A 36 -2.207 3.408 5.439 1.00 0.00 C ATOM 315 O PHE A 36 -2.565 3.398 4.261 1.00 0.00 O ATOM 316 CB PHE A 36 0.171 3.036 4.740 1.00 0.00 C ATOM 317 CG PHE A 36 1.226 3.992 4.263 1.00 0.00 C ATOM 318 CD1 PHE A 36 2.452 4.068 4.904 1.00 0.00 C ATOM 319 CD2 PHE A 36 0.990 4.819 3.177 1.00 0.00 C ATOM 320 CE1 PHE A 36 3.422 4.950 4.471 1.00 0.00 C ATOM 321 CE2 PHE A 36 1.957 5.703 2.738 1.00 0.00 C ATOM 322 CZ PHE A 36 3.176 5.767 3.386 1.00 0.00 C ATOM 0 H PHE A 36 -0.203 2.090 7.117 1.00 0.00 H new ATOM 0 HA PHE A 36 -0.577 4.713 5.853 1.00 0.00 H new ATOM 0 HB2 PHE A 36 0.652 2.145 5.143 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -0.432 2.716 3.890 1.00 0.00 H new ATOM 0 HD1 PHE A 36 2.651 3.430 5.752 1.00 0.00 H new ATOM 0 HD2 PHE A 36 0.039 4.772 2.667 1.00 0.00 H new ATOM 0 HE1 PHE A 36 4.373 5.001 4.981 1.00 0.00 H new ATOM 0 HE2 PHE A 36 1.761 6.343 1.890 1.00 0.00 H new ATOM 0 HZ PHE A 36 3.935 6.455 3.044 1.00 0.00 H new ATOM 332 N GLY A 37 -3.051 3.242 6.451 1.00 0.00 N ATOM 333 CA GLY A 37 -4.469 3.037 6.208 1.00 0.00 C ATOM 334 C GLY A 37 -4.820 1.609 5.831 1.00 0.00 C ATOM 335 O GLY A 37 -5.907 1.356 5.315 1.00 0.00 O ATOM 0 H GLY A 37 -2.780 3.245 7.434 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -5.026 3.315 7.102 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -4.793 3.705 5.410 1.00 0.00 H new ATOM 339 N PHE A 38 -3.916 0.672 6.094 1.00 0.00 N ATOM 340 CA PHE A 38 -4.176 -0.728 5.775 1.00 0.00 C ATOM 341 C PHE A 38 -3.092 -1.646 6.337 1.00 0.00 C ATOM 342 O PHE A 38 -1.904 -1.468 6.069 1.00 0.00 O ATOM 343 CB PHE A 38 -4.338 -0.917 4.259 1.00 0.00 C ATOM 344 CG PHE A 38 -3.055 -1.007 3.471 1.00 0.00 C ATOM 345 CD1 PHE A 38 -1.976 -0.178 3.745 1.00 0.00 C ATOM 346 CD2 PHE A 38 -2.942 -1.923 2.436 1.00 0.00 C ATOM 347 CE1 PHE A 38 -0.811 -0.270 3.002 1.00 0.00 C ATOM 348 CE2 PHE A 38 -1.784 -2.015 1.691 1.00 0.00 C ATOM 349 CZ PHE A 38 -0.717 -1.190 1.973 1.00 0.00 C ATOM 0 H PHE A 38 -3.008 0.852 6.522 1.00 0.00 H new ATOM 0 HA PHE A 38 -5.113 -1.010 6.255 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -4.915 -1.825 4.084 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -4.925 -0.086 3.868 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -2.046 0.545 4.544 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -3.773 -2.574 2.209 1.00 0.00 H new ATOM 0 HE1 PHE A 38 0.025 0.377 3.226 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -1.714 -2.733 0.887 1.00 0.00 H new ATOM 0 HZ PHE A 38 0.191 -1.261 1.392 1.00 0.00 H new ATOM 359 N SER A 39 -3.519 -2.627 7.130 1.00 0.00 N ATOM 360 CA SER A 39 -2.596 -3.575 7.743 1.00 0.00 C ATOM 361 C SER A 39 -2.374 -4.777 6.836 1.00 0.00 C ATOM 362 O SER A 39 -3.228 -5.114 6.015 1.00 0.00 O ATOM 363 CB SER A 39 -3.131 -4.037 9.100 1.00 0.00 C ATOM 364 OG SER A 39 -3.363 -2.933 9.959 1.00 0.00 O ATOM 0 H SER A 39 -4.500 -2.785 7.362 1.00 0.00 H new ATOM 0 HA SER A 39 -1.641 -3.071 7.891 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.058 -4.593 8.959 1.00 0.00 H new ATOM 0 HB3 SER A 39 -2.417 -4.719 9.563 1.00 0.00 H new ATOM 0 HG SER A 39 -3.706 -3.254 10.819 1.00 0.00 H new ATOM 370 N VAL A 40 -1.219 -5.417 6.988 1.00 0.00 N ATOM 371 CA VAL A 40 -0.875 -6.579 6.182 1.00 0.00 C ATOM 372 C VAL A 40 -0.965 -7.870 6.992 1.00 0.00 C ATOM 373 O VAL A 40 -1.036 -7.843 8.220 1.00 0.00 O ATOM 374 CB VAL A 40 0.539 -6.443 5.588 1.00 0.00 C ATOM 375 CG1 VAL A 40 0.632 -5.198 4.720 1.00 0.00 C ATOM 376 CG2 VAL A 40 1.591 -6.411 6.688 1.00 0.00 C ATOM 0 H VAL A 40 -0.505 -5.148 7.665 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.600 -6.627 5.369 1.00 0.00 H new ATOM 0 HB VAL A 40 0.732 -7.316 4.964 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.638 -5.116 4.308 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.090 -5.267 3.906 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.415 -4.317 5.323 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.581 -6.314 6.242 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.405 -5.562 7.345 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.542 -7.334 7.266 1.00 0.00 H new ATOM 386 N ALA A 41 -0.966 -9.001 6.290 1.00 0.00 N ATOM 387 CA ALA A 41 -1.051 -10.306 6.933 1.00 0.00 C ATOM 388 C ALA A 41 0.120 -11.198 6.526 1.00 0.00 C ATOM 389 O ALA A 41 0.964 -10.802 5.725 1.00 0.00 O ATOM 390 CB ALA A 41 -2.373 -10.978 6.583 1.00 0.00 C ATOM 0 H ALA A 41 -0.909 -9.038 5.272 1.00 0.00 H new ATOM 0 HA ALA A 41 -1.002 -10.157 8.012 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -2.426 -11.952 7.069 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -3.200 -10.356 6.927 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -2.441 -11.107 5.503 1.00 0.00 H new ATOM 396 N ASP A 42 0.162 -12.402 7.086 1.00 0.00 N ATOM 397 CA ASP A 42 1.229 -13.349 6.781 1.00 0.00 C ATOM 398 C ASP A 42 0.739 -14.442 5.836 1.00 0.00 C ATOM 399 O ASP A 42 -0.377 -14.944 5.975 1.00 0.00 O ATOM 400 CB ASP A 42 1.766 -13.977 8.068 1.00 0.00 C ATOM 401 CG ASP A 42 3.236 -14.336 7.966 1.00 0.00 C ATOM 402 OD1 ASP A 42 4.072 -13.409 7.930 1.00 0.00 O ATOM 403 OD2 ASP A 42 3.549 -15.545 7.924 1.00 0.00 O ATOM 0 H ASP A 42 -0.529 -12.745 7.753 1.00 0.00 H new ATOM 0 HA ASP A 42 2.032 -12.802 6.287 1.00 0.00 H new ATOM 0 HB2 ASP A 42 1.621 -13.283 8.896 1.00 0.00 H new ATOM 0 HB3 ASP A 42 1.191 -14.874 8.299 1.00 0.00 H new ATOM 408 N GLY A 43 1.581 -14.803 4.874 1.00 0.00 N ATOM 409 CA GLY A 43 1.221 -15.835 3.918 1.00 0.00 C ATOM 410 C GLY A 43 1.985 -17.124 4.147 1.00 0.00 C ATOM 411 O GLY A 43 3.214 -17.146 4.063 1.00 0.00 O ATOM 0 H GLY A 43 2.508 -14.399 4.739 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.151 -16.033 3.986 1.00 0.00 H new ATOM 0 HA3 GLY A 43 1.415 -15.475 2.908 1.00 0.00 H new ATOM 415 N LEU A 44 1.261 -18.198 4.440 1.00 0.00 N ATOM 416 CA LEU A 44 1.884 -19.494 4.685 1.00 0.00 C ATOM 417 C LEU A 44 1.919 -20.339 3.417 1.00 0.00 C ATOM 418 O LEU A 44 2.797 -21.184 3.244 1.00 0.00 O ATOM 419 CB LEU A 44 1.137 -20.239 5.797 1.00 0.00 C ATOM 420 CG LEU A 44 1.889 -20.342 7.125 1.00 0.00 C ATOM 421 CD1 LEU A 44 1.490 -19.205 8.053 1.00 0.00 C ATOM 422 CD2 LEU A 44 1.623 -21.687 7.785 1.00 0.00 C ATOM 0 H LEU A 44 0.244 -18.198 4.514 1.00 0.00 H new ATOM 0 HA LEU A 44 2.912 -19.319 5.002 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.185 -19.738 5.974 1.00 0.00 H new ATOM 0 HB3 LEU A 44 0.907 -21.246 5.448 1.00 0.00 H new ATOM 0 HG LEU A 44 2.957 -20.263 6.923 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.035 -19.294 8.993 1.00 0.00 H new ATOM 0 HD12 LEU A 44 1.730 -18.251 7.584 1.00 0.00 H new ATOM 0 HD13 LEU A 44 0.419 -19.254 8.248 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.166 -21.743 8.729 1.00 0.00 H new ATOM 0 HD22 LEU A 44 0.555 -21.795 7.974 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.957 -22.488 7.126 1.00 0.00 H new ATOM 434 N LEU A 45 0.955 -20.106 2.542 1.00 0.00 N ATOM 435 CA LEU A 45 0.865 -20.845 1.287 1.00 0.00 C ATOM 436 C LEU A 45 1.744 -20.229 0.200 1.00 0.00 C ATOM 437 O LEU A 45 1.898 -20.801 -0.878 1.00 0.00 O ATOM 438 CB LEU A 45 -0.587 -20.902 0.808 1.00 0.00 C ATOM 439 CG LEU A 45 -0.903 -22.040 -0.165 1.00 0.00 C ATOM 440 CD1 LEU A 45 -1.367 -23.275 0.588 1.00 0.00 C ATOM 441 CD2 LEU A 45 -1.954 -21.601 -1.174 1.00 0.00 C ATOM 0 H LEU A 45 0.221 -19.410 2.675 1.00 0.00 H new ATOM 0 HA LEU A 45 1.226 -21.856 1.478 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.237 -20.997 1.678 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.833 -19.955 0.328 1.00 0.00 H new ATOM 0 HG LEU A 45 0.009 -22.293 -0.706 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.587 -24.073 -0.122 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.582 -23.602 1.270 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -2.266 -23.038 1.157 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.167 -22.422 -1.858 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -2.867 -21.320 -0.649 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -1.582 -20.746 -1.738 1.00 0.00 H new ATOM 453 N GLU A 46 2.317 -19.062 0.485 1.00 0.00 N ATOM 454 CA GLU A 46 3.175 -18.378 -0.481 1.00 0.00 C ATOM 455 C GLU A 46 4.243 -17.546 0.224 1.00 0.00 C ATOM 456 O GLU A 46 4.747 -16.574 -0.339 1.00 0.00 O ATOM 457 CB GLU A 46 2.344 -17.468 -1.395 1.00 0.00 C ATOM 458 CG GLU A 46 0.980 -18.030 -1.765 1.00 0.00 C ATOM 459 CD GLU A 46 1.062 -19.110 -2.827 1.00 0.00 C ATOM 460 OE1 GLU A 46 1.921 -18.993 -3.725 1.00 0.00 O ATOM 461 OE2 GLU A 46 0.268 -20.072 -2.759 1.00 0.00 O ATOM 0 H GLU A 46 2.204 -18.572 1.372 1.00 0.00 H new ATOM 0 HA GLU A 46 3.665 -19.144 -1.083 1.00 0.00 H new ATOM 0 HB2 GLU A 46 2.206 -16.506 -0.902 1.00 0.00 H new ATOM 0 HB3 GLU A 46 2.907 -17.280 -2.309 1.00 0.00 H new ATOM 0 HG2 GLU A 46 0.505 -18.438 -0.873 1.00 0.00 H new ATOM 0 HG3 GLU A 46 0.343 -17.221 -2.123 1.00 0.00 H new ATOM 468 N LYS A 47 4.587 -17.943 1.453 1.00 0.00 N ATOM 469 CA LYS A 47 5.602 -17.248 2.255 1.00 0.00 C ATOM 470 C LYS A 47 5.729 -15.772 1.869 1.00 0.00 C ATOM 471 O LYS A 47 6.778 -15.326 1.404 1.00 0.00 O ATOM 472 CB LYS A 47 6.954 -17.948 2.101 1.00 0.00 C ATOM 473 CG LYS A 47 7.301 -18.865 3.263 1.00 0.00 C ATOM 474 CD LYS A 47 7.658 -18.074 4.512 1.00 0.00 C ATOM 475 CE LYS A 47 6.641 -18.292 5.620 1.00 0.00 C ATOM 476 NZ LYS A 47 6.361 -17.038 6.374 1.00 0.00 N ATOM 0 H LYS A 47 4.173 -18.750 1.919 1.00 0.00 H new ATOM 0 HA LYS A 47 5.283 -17.287 3.297 1.00 0.00 H new ATOM 0 HB2 LYS A 47 6.950 -18.529 1.179 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.734 -17.194 1.999 1.00 0.00 H new ATOM 0 HG2 LYS A 47 6.456 -19.520 3.475 1.00 0.00 H new ATOM 0 HG3 LYS A 47 8.138 -19.505 2.985 1.00 0.00 H new ATOM 0 HD2 LYS A 47 8.647 -18.371 4.861 1.00 0.00 H new ATOM 0 HD3 LYS A 47 7.711 -17.013 4.269 1.00 0.00 H new ATOM 0 HE2 LYS A 47 5.714 -18.672 5.192 1.00 0.00 H new ATOM 0 HE3 LYS A 47 7.011 -19.053 6.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 5.663 -17.230 7.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 7.241 -16.688 6.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 5.984 -16.319 5.724 1.00 0.00 H new ATOM 490 N GLY A 48 4.652 -15.022 2.068 1.00 0.00 N ATOM 491 CA GLY A 48 4.660 -13.608 1.737 1.00 0.00 C ATOM 492 C GLY A 48 3.752 -12.796 2.639 1.00 0.00 C ATOM 493 O GLY A 48 3.332 -13.270 3.695 1.00 0.00 O ATOM 0 H GLY A 48 3.773 -15.367 2.453 1.00 0.00 H new ATOM 0 HA2 GLY A 48 5.678 -13.226 1.813 1.00 0.00 H new ATOM 0 HA3 GLY A 48 4.347 -13.479 0.701 1.00 0.00 H new ATOM 497 N VAL A 49 3.448 -11.571 2.225 1.00 0.00 N ATOM 498 CA VAL A 49 2.584 -10.694 3.005 1.00 0.00 C ATOM 499 C VAL A 49 1.510 -10.059 2.127 1.00 0.00 C ATOM 500 O VAL A 49 1.806 -9.539 1.050 1.00 0.00 O ATOM 501 CB VAL A 49 3.394 -9.581 3.699 1.00 0.00 C ATOM 502 CG1 VAL A 49 2.521 -8.816 4.679 1.00 0.00 C ATOM 503 CG2 VAL A 49 4.612 -10.161 4.404 1.00 0.00 C ATOM 0 H VAL A 49 3.787 -11.163 1.354 1.00 0.00 H new ATOM 0 HA VAL A 49 2.107 -11.312 3.766 1.00 0.00 H new ATOM 0 HB VAL A 49 3.742 -8.885 2.935 1.00 0.00 H new ATOM 0 HG11 VAL A 49 3.111 -8.035 5.159 1.00 0.00 H new ATOM 0 HG12 VAL A 49 1.685 -8.364 4.145 1.00 0.00 H new ATOM 0 HG13 VAL A 49 2.140 -9.500 5.437 1.00 0.00 H new ATOM 0 HG21 VAL A 49 5.169 -9.358 4.887 1.00 0.00 H new ATOM 0 HG22 VAL A 49 4.289 -10.881 5.155 1.00 0.00 H new ATOM 0 HG23 VAL A 49 5.251 -10.659 3.675 1.00 0.00 H new ATOM 513 N TYR A 50 0.266 -10.099 2.594 1.00 0.00 N ATOM 514 CA TYR A 50 -0.851 -9.524 1.849 1.00 0.00 C ATOM 515 C TYR A 50 -1.722 -8.679 2.771 1.00 0.00 C ATOM 516 O TYR A 50 -1.879 -8.997 3.949 1.00 0.00 O ATOM 517 CB TYR A 50 -1.709 -10.617 1.197 1.00 0.00 C ATOM 518 CG TYR A 50 -1.034 -11.969 1.095 1.00 0.00 C ATOM 519 CD1 TYR A 50 0.197 -12.109 0.466 1.00 0.00 C ATOM 520 CD2 TYR A 50 -1.633 -13.105 1.622 1.00 0.00 C ATOM 521 CE1 TYR A 50 0.812 -13.343 0.368 1.00 0.00 C ATOM 522 CE2 TYR A 50 -1.026 -14.342 1.529 1.00 0.00 C ATOM 523 CZ TYR A 50 0.198 -14.457 0.900 1.00 0.00 C ATOM 524 OH TYR A 50 0.807 -15.688 0.800 1.00 0.00 O ATOM 0 H TYR A 50 0.005 -10.523 3.484 1.00 0.00 H new ATOM 0 HA TYR A 50 -0.434 -8.895 1.062 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -2.630 -10.727 1.769 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -1.992 -10.290 0.196 1.00 0.00 H new ATOM 0 HD1 TYR A 50 0.681 -11.239 0.047 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -2.591 -13.020 2.114 1.00 0.00 H new ATOM 0 HE1 TYR A 50 1.769 -13.434 -0.123 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -1.506 -15.215 1.946 1.00 0.00 H new ATOM 0 HH TYR A 50 0.302 -16.346 1.321 1.00 0.00 H new ATOM 534 N VAL A 51 -2.284 -7.604 2.234 1.00 0.00 N ATOM 535 CA VAL A 51 -3.134 -6.717 3.019 1.00 0.00 C ATOM 536 C VAL A 51 -4.189 -7.498 3.799 1.00 0.00 C ATOM 537 O VAL A 51 -4.964 -8.263 3.227 1.00 0.00 O ATOM 538 CB VAL A 51 -3.831 -5.671 2.130 1.00 0.00 C ATOM 539 CG1 VAL A 51 -4.699 -4.741 2.965 1.00 0.00 C ATOM 540 CG2 VAL A 51 -2.801 -4.882 1.340 1.00 0.00 C ATOM 0 H VAL A 51 -2.167 -7.325 1.260 1.00 0.00 H new ATOM 0 HA VAL A 51 -2.480 -6.204 3.724 1.00 0.00 H new ATOM 0 HB VAL A 51 -4.480 -6.194 1.428 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -5.181 -4.011 2.314 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -5.461 -5.323 3.484 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -4.078 -4.222 3.695 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -3.307 -4.146 0.716 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -2.127 -4.372 2.028 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -2.228 -5.561 0.708 1.00 0.00 H new ATOM 550 N LYS A 52 -4.205 -7.296 5.112 1.00 0.00 N ATOM 551 CA LYS A 52 -5.155 -7.974 5.985 1.00 0.00 C ATOM 552 C LYS A 52 -6.450 -7.181 6.103 1.00 0.00 C ATOM 553 O LYS A 52 -7.527 -7.748 6.286 1.00 0.00 O ATOM 554 CB LYS A 52 -4.536 -8.188 7.370 1.00 0.00 C ATOM 555 CG LYS A 52 -5.498 -8.753 8.403 1.00 0.00 C ATOM 556 CD LYS A 52 -5.409 -10.269 8.477 1.00 0.00 C ATOM 557 CE LYS A 52 -6.762 -10.893 8.783 1.00 0.00 C ATOM 558 NZ LYS A 52 -6.761 -12.363 8.547 1.00 0.00 N ATOM 0 H LYS A 52 -3.567 -6.665 5.597 1.00 0.00 H new ATOM 0 HA LYS A 52 -5.391 -8.944 5.547 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -3.685 -8.863 7.275 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -4.149 -7.236 7.733 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -5.275 -8.326 9.381 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -6.517 -8.459 8.152 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -5.033 -10.659 7.531 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -4.693 -10.555 9.247 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -7.028 -10.692 9.821 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -7.526 -10.426 8.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -7.701 -12.751 8.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -6.532 -12.555 7.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -6.050 -12.812 9.158 1.00 0.00 H new ATOM 572 N ASN A 53 -6.335 -5.867 5.998 1.00 0.00 N ATOM 573 CA ASN A 53 -7.500 -4.993 6.095 1.00 0.00 C ATOM 574 C ASN A 53 -7.125 -3.536 5.842 1.00 0.00 C ATOM 575 O ASN A 53 -5.959 -3.156 5.940 1.00 0.00 O ATOM 576 CB ASN A 53 -8.153 -5.130 7.470 1.00 0.00 C ATOM 577 CG ASN A 53 -7.194 -4.812 8.600 1.00 0.00 C ATOM 578 OD1 ASN A 53 -6.885 -3.648 8.859 1.00 0.00 O ATOM 579 ND2 ASN A 53 -6.714 -5.847 9.279 1.00 0.00 N ATOM 0 H ASN A 53 -5.451 -5.380 5.846 1.00 0.00 H new ATOM 0 HA ASN A 53 -8.210 -5.300 5.327 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -9.013 -4.463 7.529 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -8.529 -6.146 7.591 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -6.063 -5.694 10.049 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -6.997 -6.795 9.031 1.00 0.00 H new ATOM 586 N ILE A 54 -8.128 -2.726 5.518 1.00 0.00 N ATOM 587 CA ILE A 54 -7.916 -1.310 5.249 1.00 0.00 C ATOM 588 C ILE A 54 -8.859 -0.449 6.082 1.00 0.00 C ATOM 589 O ILE A 54 -10.014 -0.810 6.303 1.00 0.00 O ATOM 590 CB ILE A 54 -8.129 -0.996 3.756 1.00 0.00 C ATOM 591 CG1 ILE A 54 -7.295 -1.960 2.895 1.00 0.00 C ATOM 592 CG2 ILE A 54 -7.785 0.461 3.464 1.00 0.00 C ATOM 593 CD1 ILE A 54 -6.531 -1.296 1.764 1.00 0.00 C ATOM 0 H ILE A 54 -9.099 -3.029 5.435 1.00 0.00 H new ATOM 0 HA ILE A 54 -6.886 -1.078 5.521 1.00 0.00 H new ATOM 0 HB ILE A 54 -9.179 -1.141 3.503 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -6.586 -2.480 3.539 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -7.958 -2.716 2.474 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -7.941 0.666 2.405 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -8.426 1.112 4.058 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -6.742 0.647 3.720 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -5.972 -2.050 1.211 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -7.232 -0.800 1.093 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -5.839 -0.560 2.175 1.00 0.00 H new ATOM 605 N ARG A 55 -8.357 0.693 6.546 1.00 0.00 N ATOM 606 CA ARG A 55 -9.156 1.604 7.356 1.00 0.00 C ATOM 607 C ARG A 55 -10.314 2.182 6.544 1.00 0.00 C ATOM 608 O ARG A 55 -10.195 2.383 5.335 1.00 0.00 O ATOM 609 CB ARG A 55 -8.283 2.737 7.899 1.00 0.00 C ATOM 610 CG ARG A 55 -7.347 2.303 9.015 1.00 0.00 C ATOM 611 CD ARG A 55 -7.075 3.438 9.988 1.00 0.00 C ATOM 612 NE ARG A 55 -7.910 3.347 11.184 1.00 0.00 N ATOM 613 CZ ARG A 55 -7.687 4.039 12.299 1.00 0.00 C ATOM 614 NH1 ARG A 55 -6.659 4.875 12.373 1.00 0.00 N ATOM 615 NH2 ARG A 55 -8.495 3.897 13.340 1.00 0.00 N ATOM 0 H ARG A 55 -7.402 1.008 6.374 1.00 0.00 H new ATOM 0 HA ARG A 55 -9.568 1.040 8.193 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -7.693 3.153 7.082 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -8.927 3.536 8.266 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -7.784 1.460 9.551 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -6.406 1.956 8.588 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -6.024 3.423 10.278 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -7.255 4.392 9.492 1.00 0.00 H new ATOM 0 HE ARG A 55 -8.711 2.716 11.163 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -6.036 4.989 11.573 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -6.492 5.403 13.229 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -9.288 3.257 13.287 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -8.324 4.427 14.194 1.00 0.00 H new ATOM 629 N PRO A 56 -11.454 2.457 7.201 1.00 0.00 N ATOM 630 CA PRO A 56 -12.634 3.013 6.533 1.00 0.00 C ATOM 631 C PRO A 56 -12.442 4.472 6.134 1.00 0.00 C ATOM 632 O PRO A 56 -12.575 5.375 6.961 1.00 0.00 O ATOM 633 CB PRO A 56 -13.731 2.888 7.591 1.00 0.00 C ATOM 634 CG PRO A 56 -13.006 2.917 8.891 1.00 0.00 C ATOM 635 CD PRO A 56 -11.682 2.247 8.644 1.00 0.00 C ATOM 0 HA PRO A 56 -12.859 2.492 5.602 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -14.447 3.707 7.518 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -14.293 1.962 7.471 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -12.866 3.941 9.237 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -13.570 2.394 9.664 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -10.889 2.692 9.245 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -11.716 1.187 8.895 1.00 0.00 H new ATOM 643 N ALA A 57 -12.132 4.694 4.856 1.00 0.00 N ATOM 644 CA ALA A 57 -11.922 6.042 4.324 1.00 0.00 C ATOM 645 C ALA A 57 -10.502 6.526 4.596 1.00 0.00 C ATOM 646 O ALA A 57 -10.261 7.726 4.732 1.00 0.00 O ATOM 647 CB ALA A 57 -12.938 7.021 4.898 1.00 0.00 C ATOM 0 H ALA A 57 -12.020 3.952 4.165 1.00 0.00 H new ATOM 0 HA ALA A 57 -12.064 5.995 3.244 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -12.759 8.014 4.486 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -13.945 6.696 4.636 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -12.838 7.055 5.983 1.00 0.00 H new ATOM 653 N GLY A 58 -9.564 5.588 4.669 1.00 0.00 N ATOM 654 CA GLY A 58 -8.179 5.944 4.920 1.00 0.00 C ATOM 655 C GLY A 58 -7.359 6.009 3.646 1.00 0.00 C ATOM 656 O GLY A 58 -7.885 5.780 2.556 1.00 0.00 O ATOM 0 H GLY A 58 -9.737 4.589 4.559 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -8.140 6.910 5.423 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -7.736 5.214 5.597 1.00 0.00 H new ATOM 660 N PRO A 59 -6.056 6.320 3.748 1.00 0.00 N ATOM 661 CA PRO A 59 -5.172 6.407 2.583 1.00 0.00 C ATOM 662 C PRO A 59 -5.208 5.138 1.738 1.00 0.00 C ATOM 663 O PRO A 59 -5.013 5.184 0.523 1.00 0.00 O ATOM 664 CB PRO A 59 -3.774 6.612 3.190 1.00 0.00 C ATOM 665 CG PRO A 59 -3.918 6.294 4.642 1.00 0.00 C ATOM 666 CD PRO A 59 -5.341 6.605 4.999 1.00 0.00 C ATOM 0 HA PRO A 59 -5.471 7.210 1.909 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -3.041 5.959 2.716 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -3.430 7.636 3.045 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -3.688 5.246 4.836 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -3.228 6.888 5.241 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -5.698 5.983 5.820 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -5.464 7.643 5.308 1.00 0.00 H new ATOM 674 N GLY A 60 -5.467 4.008 2.387 1.00 0.00 N ATOM 675 CA GLY A 60 -5.531 2.743 1.677 1.00 0.00 C ATOM 676 C GLY A 60 -6.671 2.704 0.677 1.00 0.00 C ATOM 677 O GLY A 60 -6.482 2.316 -0.478 1.00 0.00 O ATOM 0 H GLY A 60 -5.634 3.945 3.391 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -4.588 2.572 1.157 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -5.651 1.931 2.394 1.00 0.00 H new ATOM 681 N ASP A 61 -7.855 3.121 1.117 1.00 0.00 N ATOM 682 CA ASP A 61 -9.023 3.144 0.251 1.00 0.00 C ATOM 683 C ASP A 61 -8.893 4.266 -0.765 1.00 0.00 C ATOM 684 O ASP A 61 -9.353 4.152 -1.901 1.00 0.00 O ATOM 685 CB ASP A 61 -10.297 3.327 1.077 1.00 0.00 C ATOM 686 CG ASP A 61 -10.880 2.007 1.542 1.00 0.00 C ATOM 687 OD1 ASP A 61 -10.837 1.032 0.763 1.00 0.00 O ATOM 688 OD2 ASP A 61 -11.379 1.948 2.686 1.00 0.00 O ATOM 0 H ASP A 61 -8.028 3.447 2.068 1.00 0.00 H new ATOM 0 HA ASP A 61 -9.086 2.192 -0.276 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -10.078 3.950 1.944 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -11.039 3.859 0.482 1.00 0.00 H new ATOM 693 N LEU A 62 -8.249 5.350 -0.345 1.00 0.00 N ATOM 694 CA LEU A 62 -8.042 6.495 -1.216 1.00 0.00 C ATOM 695 C LEU A 62 -6.976 6.181 -2.261 1.00 0.00 C ATOM 696 O LEU A 62 -7.001 6.715 -3.369 1.00 0.00 O ATOM 697 CB LEU A 62 -7.631 7.721 -0.397 1.00 0.00 C ATOM 698 CG LEU A 62 -8.609 8.113 0.713 1.00 0.00 C ATOM 699 CD1 LEU A 62 -7.916 8.981 1.752 1.00 0.00 C ATOM 700 CD2 LEU A 62 -9.814 8.836 0.130 1.00 0.00 C ATOM 0 H LEU A 62 -7.863 5.457 0.593 1.00 0.00 H new ATOM 0 HA LEU A 62 -8.980 6.714 -1.727 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -6.655 7.531 0.049 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -7.513 8.568 -1.073 1.00 0.00 H new ATOM 0 HG LEU A 62 -8.957 7.204 1.203 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -8.626 9.250 2.534 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -7.085 8.429 2.191 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -7.539 9.887 1.277 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -10.499 9.107 0.933 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -9.483 9.738 -0.385 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -10.324 8.181 -0.576 1.00 0.00 H new ATOM 712 N GLY A 63 -6.044 5.303 -1.899 1.00 0.00 N ATOM 713 CA GLY A 63 -4.985 4.923 -2.814 1.00 0.00 C ATOM 714 C GLY A 63 -5.492 4.054 -3.946 1.00 0.00 C ATOM 715 O GLY A 63 -5.199 4.311 -5.115 1.00 0.00 O ATOM 0 H GLY A 63 -6.005 4.848 -0.987 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -4.523 5.820 -3.226 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -4.209 4.388 -2.267 1.00 0.00 H new ATOM 719 N GLY A 64 -6.261 3.023 -3.603 1.00 0.00 N ATOM 720 CA GLY A 64 -6.803 2.136 -4.618 1.00 0.00 C ATOM 721 C GLY A 64 -6.522 0.668 -4.350 1.00 0.00 C ATOM 722 O GLY A 64 -6.752 -0.176 -5.216 1.00 0.00 O ATOM 0 H GLY A 64 -6.517 2.787 -2.644 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -7.881 2.286 -4.683 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -6.385 2.407 -5.587 1.00 0.00 H new ATOM 726 N LEU A 65 -6.027 0.354 -3.156 1.00 0.00 N ATOM 727 CA LEU A 65 -5.728 -1.028 -2.800 1.00 0.00 C ATOM 728 C LEU A 65 -6.685 -1.533 -1.725 1.00 0.00 C ATOM 729 O LEU A 65 -7.206 -0.753 -0.927 1.00 0.00 O ATOM 730 CB LEU A 65 -4.280 -1.158 -2.321 1.00 0.00 C ATOM 731 CG LEU A 65 -3.790 -0.041 -1.399 1.00 0.00 C ATOM 732 CD1 LEU A 65 -4.472 -0.133 -0.043 1.00 0.00 C ATOM 733 CD2 LEU A 65 -2.278 -0.106 -1.241 1.00 0.00 C ATOM 0 H LEU A 65 -5.826 1.034 -2.423 1.00 0.00 H new ATOM 0 HA LEU A 65 -5.859 -1.641 -3.692 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -4.172 -2.109 -1.800 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -3.629 -1.197 -3.194 1.00 0.00 H new ATOM 0 HG LEU A 65 -4.048 0.917 -1.850 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -4.112 0.669 0.601 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -5.550 -0.039 -0.171 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -4.244 -1.096 0.415 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -1.946 0.696 -0.582 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.998 -1.068 -0.812 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.805 0.007 -2.216 1.00 0.00 H new ATOM 745 N LYS A 66 -6.918 -2.842 -1.716 1.00 0.00 N ATOM 746 CA LYS A 66 -7.820 -3.455 -0.746 1.00 0.00 C ATOM 747 C LYS A 66 -7.238 -4.770 -0.223 1.00 0.00 C ATOM 748 O LYS A 66 -6.156 -5.183 -0.636 1.00 0.00 O ATOM 749 CB LYS A 66 -9.189 -3.698 -1.388 1.00 0.00 C ATOM 750 CG LYS A 66 -10.308 -2.877 -0.767 1.00 0.00 C ATOM 751 CD LYS A 66 -11.674 -3.332 -1.257 1.00 0.00 C ATOM 752 CE LYS A 66 -12.350 -2.263 -2.102 1.00 0.00 C ATOM 753 NZ LYS A 66 -13.257 -1.406 -1.289 1.00 0.00 N ATOM 0 H LYS A 66 -6.494 -3.500 -2.370 1.00 0.00 H new ATOM 0 HA LYS A 66 -7.939 -2.775 0.098 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -9.128 -3.467 -2.452 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -9.437 -4.756 -1.305 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -10.263 -2.962 0.319 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -10.166 -1.824 -1.010 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -11.566 -4.245 -1.843 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -12.306 -3.575 -0.402 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -11.591 -1.641 -2.576 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -12.919 -2.738 -2.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -13.699 -0.690 -1.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -13.996 -1.996 -0.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -12.710 -0.933 -0.541 1.00 0.00 H new ATOM 767 N PRO A 67 -7.948 -5.448 0.697 1.00 0.00 N ATOM 768 CA PRO A 67 -7.486 -6.720 1.265 1.00 0.00 C ATOM 769 C PRO A 67 -7.058 -7.715 0.189 1.00 0.00 C ATOM 770 O PRO A 67 -7.644 -7.756 -0.893 1.00 0.00 O ATOM 771 CB PRO A 67 -8.712 -7.238 2.017 1.00 0.00 C ATOM 772 CG PRO A 67 -9.475 -6.012 2.380 1.00 0.00 C ATOM 773 CD PRO A 67 -9.250 -5.036 1.258 1.00 0.00 C ATOM 0 HA PRO A 67 -6.607 -6.590 1.896 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -9.307 -7.905 1.393 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -8.424 -7.803 2.904 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -10.536 -6.233 2.498 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -9.128 -5.603 3.329 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -10.044 -5.092 0.513 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -9.224 -4.008 1.620 1.00 0.00 H new ATOM 781 N TYR A 68 -6.028 -8.508 0.500 1.00 0.00 N ATOM 782 CA TYR A 68 -5.491 -9.514 -0.424 1.00 0.00 C ATOM 783 C TYR A 68 -4.380 -8.934 -1.296 1.00 0.00 C ATOM 784 O TYR A 68 -3.605 -9.678 -1.895 1.00 0.00 O ATOM 785 CB TYR A 68 -6.587 -10.115 -1.312 1.00 0.00 C ATOM 786 CG TYR A 68 -7.831 -10.514 -0.552 1.00 0.00 C ATOM 787 CD1 TYR A 68 -7.747 -11.312 0.581 1.00 0.00 C ATOM 788 CD2 TYR A 68 -9.088 -10.096 -0.970 1.00 0.00 C ATOM 789 CE1 TYR A 68 -8.882 -11.683 1.276 1.00 0.00 C ATOM 790 CE2 TYR A 68 -10.226 -10.462 -0.280 1.00 0.00 C ATOM 791 CZ TYR A 68 -10.118 -11.255 0.843 1.00 0.00 C ATOM 792 OH TYR A 68 -11.251 -11.621 1.535 1.00 0.00 O ATOM 0 H TYR A 68 -5.543 -8.472 1.397 1.00 0.00 H new ATOM 0 HA TYR A 68 -5.073 -10.310 0.192 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -6.858 -9.391 -2.081 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -6.188 -10.990 -1.825 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -6.780 -11.648 0.924 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -9.176 -9.475 -1.849 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -8.801 -12.306 2.155 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -11.196 -10.129 -0.618 1.00 0.00 H new ATOM 0 HH TYR A 68 -12.039 -11.235 1.099 1.00 0.00 H new ATOM 802 N ASP A 69 -4.309 -7.605 -1.362 1.00 0.00 N ATOM 803 CA ASP A 69 -3.293 -6.922 -2.158 1.00 0.00 C ATOM 804 C ASP A 69 -1.896 -7.413 -1.792 1.00 0.00 C ATOM 805 O ASP A 69 -1.201 -6.801 -0.981 1.00 0.00 O ATOM 806 CB ASP A 69 -3.387 -5.410 -1.954 1.00 0.00 C ATOM 807 CG ASP A 69 -4.449 -4.771 -2.828 1.00 0.00 C ATOM 808 OD1 ASP A 69 -5.535 -5.368 -2.973 1.00 0.00 O ATOM 809 OD2 ASP A 69 -4.194 -3.674 -3.368 1.00 0.00 O ATOM 0 H ASP A 69 -4.947 -6.979 -0.871 1.00 0.00 H new ATOM 0 HA ASP A 69 -3.474 -7.150 -3.208 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -3.608 -5.201 -0.907 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -2.420 -4.956 -2.172 1.00 0.00 H new ATOM 814 N ARG A 70 -1.500 -8.525 -2.394 1.00 0.00 N ATOM 815 CA ARG A 70 -0.197 -9.116 -2.138 1.00 0.00 C ATOM 816 C ARG A 70 0.922 -8.228 -2.678 1.00 0.00 C ATOM 817 O ARG A 70 1.217 -8.241 -3.873 1.00 0.00 O ATOM 818 CB ARG A 70 -0.139 -10.507 -2.773 1.00 0.00 C ATOM 819 CG ARG A 70 1.228 -11.169 -2.709 1.00 0.00 C ATOM 820 CD ARG A 70 1.382 -12.231 -3.789 1.00 0.00 C ATOM 821 NE ARG A 70 0.207 -13.098 -3.878 1.00 0.00 N ATOM 822 CZ ARG A 70 0.019 -14.174 -3.119 1.00 0.00 C ATOM 823 NH1 ARG A 70 0.919 -14.522 -2.208 1.00 0.00 N ATOM 824 NH2 ARG A 70 -1.079 -14.905 -3.268 1.00 0.00 N ATOM 0 H ARG A 70 -2.068 -9.038 -3.068 1.00 0.00 H new ATOM 0 HA ARG A 70 -0.054 -9.206 -1.061 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -0.865 -11.151 -2.276 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -0.444 -10.430 -3.817 1.00 0.00 H new ATOM 0 HG2 ARG A 70 2.005 -10.414 -2.826 1.00 0.00 H new ATOM 0 HG3 ARG A 70 1.369 -11.623 -1.728 1.00 0.00 H new ATOM 0 HD2 ARG A 70 1.549 -11.747 -4.751 1.00 0.00 H new ATOM 0 HD3 ARG A 70 2.264 -12.836 -3.579 1.00 0.00 H new ATOM 0 HE ARG A 70 -0.511 -12.863 -4.563 1.00 0.00 H new ATOM 0 HH11 ARG A 70 1.763 -13.963 -2.085 1.00 0.00 H new ATOM 0 HH12 ARG A 70 0.767 -15.349 -1.630 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -1.777 -14.641 -3.964 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -1.225 -15.730 -2.687 1.00 0.00 H new ATOM 838 N LEU A 71 1.536 -7.458 -1.784 1.00 0.00 N ATOM 839 CA LEU A 71 2.623 -6.560 -2.160 1.00 0.00 C ATOM 840 C LEU A 71 3.829 -7.343 -2.665 1.00 0.00 C ATOM 841 O LEU A 71 4.527 -7.992 -1.886 1.00 0.00 O ATOM 842 CB LEU A 71 3.032 -5.698 -0.963 1.00 0.00 C ATOM 843 CG LEU A 71 1.872 -5.027 -0.219 1.00 0.00 C ATOM 844 CD1 LEU A 71 1.760 -5.571 1.197 1.00 0.00 C ATOM 845 CD2 LEU A 71 2.051 -3.515 -0.200 1.00 0.00 C ATOM 0 H LEU A 71 1.298 -7.438 -0.792 1.00 0.00 H new ATOM 0 HA LEU A 71 2.267 -5.917 -2.965 1.00 0.00 H new ATOM 0 HB2 LEU A 71 3.584 -6.320 -0.258 1.00 0.00 H new ATOM 0 HB3 LEU A 71 3.717 -4.924 -1.309 1.00 0.00 H new ATOM 0 HG LEU A 71 0.947 -5.255 -0.748 1.00 0.00 H new ATOM 0 HD11 LEU A 71 0.931 -5.083 1.710 1.00 0.00 H new ATOM 0 HD12 LEU A 71 1.582 -6.646 1.161 1.00 0.00 H new ATOM 0 HD13 LEU A 71 2.687 -5.375 1.737 1.00 0.00 H new ATOM 0 HD21 LEU A 71 1.218 -3.057 0.332 1.00 0.00 H new ATOM 0 HD22 LEU A 71 2.985 -3.265 0.304 1.00 0.00 H new ATOM 0 HD23 LEU A 71 2.079 -3.139 -1.223 1.00 0.00 H new ATOM 857 N LEU A 72 4.072 -7.281 -3.970 1.00 0.00 N ATOM 858 CA LEU A 72 5.196 -7.992 -4.563 1.00 0.00 C ATOM 859 C LEU A 72 6.489 -7.194 -4.439 1.00 0.00 C ATOM 860 O LEU A 72 7.480 -7.683 -3.897 1.00 0.00 O ATOM 861 CB LEU A 72 4.921 -8.317 -6.033 1.00 0.00 C ATOM 862 CG LEU A 72 3.531 -8.888 -6.342 1.00 0.00 C ATOM 863 CD1 LEU A 72 3.539 -9.577 -7.697 1.00 0.00 C ATOM 864 CD2 LEU A 72 3.073 -9.861 -5.262 1.00 0.00 C ATOM 0 H LEU A 72 3.509 -6.749 -4.633 1.00 0.00 H new ATOM 0 HA LEU A 72 5.317 -8.925 -4.012 1.00 0.00 H new ATOM 0 HB2 LEU A 72 5.058 -7.408 -6.618 1.00 0.00 H new ATOM 0 HB3 LEU A 72 5.670 -9.031 -6.374 1.00 0.00 H new ATOM 0 HG LEU A 72 2.826 -8.057 -6.364 1.00 0.00 H new ATOM 0 HD11 LEU A 72 2.548 -9.979 -7.907 1.00 0.00 H new ATOM 0 HD12 LEU A 72 3.810 -8.857 -8.470 1.00 0.00 H new ATOM 0 HD13 LEU A 72 4.265 -10.390 -7.688 1.00 0.00 H new ATOM 0 HD21 LEU A 72 2.085 -10.245 -5.514 1.00 0.00 H new ATOM 0 HD22 LEU A 72 3.778 -10.689 -5.196 1.00 0.00 H new ATOM 0 HD23 LEU A 72 3.028 -9.345 -4.303 1.00 0.00 H new ATOM 876 N GLN A 73 6.481 -5.967 -4.951 1.00 0.00 N ATOM 877 CA GLN A 73 7.662 -5.117 -4.897 1.00 0.00 C ATOM 878 C GLN A 73 7.303 -3.684 -4.517 1.00 0.00 C ATOM 879 O GLN A 73 6.590 -2.998 -5.249 1.00 0.00 O ATOM 880 CB GLN A 73 8.385 -5.131 -6.245 1.00 0.00 C ATOM 881 CG GLN A 73 7.503 -4.721 -7.413 1.00 0.00 C ATOM 882 CD GLN A 73 8.143 -5.009 -8.757 1.00 0.00 C ATOM 883 OE1 GLN A 73 7.566 -5.697 -9.599 1.00 0.00 O ATOM 884 NE2 GLN A 73 9.345 -4.482 -8.964 1.00 0.00 N ATOM 0 H GLN A 73 5.673 -5.542 -5.406 1.00 0.00 H new ATOM 0 HA GLN A 73 8.322 -5.516 -4.127 1.00 0.00 H new ATOM 0 HB2 GLN A 73 9.242 -4.460 -6.195 1.00 0.00 H new ATOM 0 HB3 GLN A 73 8.774 -6.132 -6.429 1.00 0.00 H new ATOM 0 HG2 GLN A 73 6.551 -5.249 -7.347 1.00 0.00 H new ATOM 0 HG3 GLN A 73 7.283 -3.656 -7.341 1.00 0.00 H new ATOM 0 HE21 GLN A 73 9.786 -3.918 -8.238 1.00 0.00 H new ATOM 0 HE22 GLN A 73 9.826 -4.642 -9.849 1.00 0.00 H new ATOM 893 N VAL A 74 7.809 -3.240 -3.373 1.00 0.00 N ATOM 894 CA VAL A 74 7.553 -1.886 -2.898 1.00 0.00 C ATOM 895 C VAL A 74 8.606 -0.924 -3.433 1.00 0.00 C ATOM 896 O VAL A 74 9.768 -0.971 -3.026 1.00 0.00 O ATOM 897 CB VAL A 74 7.546 -1.819 -1.358 1.00 0.00 C ATOM 898 CG1 VAL A 74 7.099 -0.443 -0.888 1.00 0.00 C ATOM 899 CG2 VAL A 74 6.655 -2.907 -0.778 1.00 0.00 C ATOM 0 H VAL A 74 8.399 -3.798 -2.757 1.00 0.00 H new ATOM 0 HA VAL A 74 6.569 -1.596 -3.266 1.00 0.00 H new ATOM 0 HB VAL A 74 8.561 -1.988 -1.000 1.00 0.00 H new ATOM 0 HG11 VAL A 74 7.100 -0.413 0.202 1.00 0.00 H new ATOM 0 HG12 VAL A 74 7.784 0.313 -1.272 1.00 0.00 H new ATOM 0 HG13 VAL A 74 6.093 -0.242 -1.256 1.00 0.00 H new ATOM 0 HG21 VAL A 74 6.664 -2.843 0.310 1.00 0.00 H new ATOM 0 HG22 VAL A 74 5.636 -2.775 -1.141 1.00 0.00 H new ATOM 0 HG23 VAL A 74 7.026 -3.884 -1.087 1.00 0.00 H new ATOM 909 N ASN A 75 8.199 -0.060 -4.361 1.00 0.00 N ATOM 910 CA ASN A 75 9.111 0.909 -4.964 1.00 0.00 C ATOM 911 C ASN A 75 10.027 0.225 -5.972 1.00 0.00 C ATOM 912 O ASN A 75 10.045 0.570 -7.153 1.00 0.00 O ATOM 913 CB ASN A 75 9.942 1.615 -3.887 1.00 0.00 C ATOM 914 CG ASN A 75 9.853 3.127 -3.987 1.00 0.00 C ATOM 915 OD1 ASN A 75 10.791 3.787 -4.436 1.00 0.00 O ATOM 916 ND2 ASN A 75 8.722 3.681 -3.567 1.00 0.00 N ATOM 0 H ASN A 75 7.242 -0.011 -4.712 1.00 0.00 H new ATOM 0 HA ASN A 75 8.515 1.658 -5.486 1.00 0.00 H new ATOM 0 HB2 ASN A 75 9.600 1.298 -2.902 1.00 0.00 H new ATOM 0 HB3 ASN A 75 10.984 1.308 -3.977 1.00 0.00 H new ATOM 0 HD21 ASN A 75 8.604 4.693 -3.609 1.00 0.00 H new ATOM 0 HD22 ASN A 75 7.971 3.094 -3.202 1.00 0.00 H new ATOM 923 N HIS A 76 10.783 -0.750 -5.488 1.00 0.00 N ATOM 924 CA HIS A 76 11.709 -1.501 -6.328 1.00 0.00 C ATOM 925 C HIS A 76 12.221 -2.751 -5.608 1.00 0.00 C ATOM 926 O HIS A 76 12.788 -3.645 -6.236 1.00 0.00 O ATOM 927 CB HIS A 76 12.889 -0.617 -6.739 1.00 0.00 C ATOM 928 CG HIS A 76 13.592 0.021 -5.580 1.00 0.00 C ATOM 929 ND1 HIS A 76 14.398 -0.681 -4.710 1.00 0.00 N ATOM 930 CD2 HIS A 76 13.606 1.305 -5.151 1.00 0.00 C ATOM 931 CE1 HIS A 76 14.878 0.143 -3.795 1.00 0.00 C ATOM 932 NE2 HIS A 76 14.414 1.353 -4.041 1.00 0.00 N ATOM 0 H HIS A 76 10.774 -1.042 -4.511 1.00 0.00 H new ATOM 0 HA HIS A 76 11.169 -1.818 -7.220 1.00 0.00 H new ATOM 0 HB2 HIS A 76 13.604 -1.218 -7.301 1.00 0.00 H new ATOM 0 HB3 HIS A 76 12.531 0.163 -7.411 1.00 0.00 H new ATOM 0 HD2 HIS A 76 13.080 2.136 -5.598 1.00 0.00 H new ATOM 0 HE1 HIS A 76 15.538 -0.128 -2.984 1.00 0.00 H new ATOM 0 HE2 HIS A 76 14.622 2.189 -3.495 1.00 0.00 H new ATOM 941 N VAL A 77 12.019 -2.812 -4.293 1.00 0.00 N ATOM 942 CA VAL A 77 12.465 -3.957 -3.505 1.00 0.00 C ATOM 943 C VAL A 77 11.434 -5.082 -3.535 1.00 0.00 C ATOM 944 O VAL A 77 10.252 -4.860 -3.274 1.00 0.00 O ATOM 945 CB VAL A 77 12.731 -3.562 -2.040 1.00 0.00 C ATOM 946 CG1 VAL A 77 13.389 -4.709 -1.287 1.00 0.00 C ATOM 947 CG2 VAL A 77 13.590 -2.308 -1.974 1.00 0.00 C ATOM 0 H VAL A 77 11.551 -2.084 -3.753 1.00 0.00 H new ATOM 0 HA VAL A 77 13.394 -4.306 -3.955 1.00 0.00 H new ATOM 0 HB VAL A 77 11.776 -3.346 -1.562 1.00 0.00 H new ATOM 0 HG11 VAL A 77 13.569 -4.411 -0.254 1.00 0.00 H new ATOM 0 HG12 VAL A 77 12.733 -5.579 -1.304 1.00 0.00 H new ATOM 0 HG13 VAL A 77 14.337 -4.960 -1.762 1.00 0.00 H new ATOM 0 HG21 VAL A 77 13.768 -2.043 -0.932 1.00 0.00 H new ATOM 0 HG22 VAL A 77 14.543 -2.493 -2.469 1.00 0.00 H new ATOM 0 HG23 VAL A 77 13.075 -1.488 -2.474 1.00 0.00 H new ATOM 957 N ARG A 78 11.892 -6.289 -3.852 1.00 0.00 N ATOM 958 CA ARG A 78 11.010 -7.451 -3.914 1.00 0.00 C ATOM 959 C ARG A 78 10.535 -7.849 -2.519 1.00 0.00 C ATOM 960 O ARG A 78 11.148 -8.690 -1.861 1.00 0.00 O ATOM 961 CB ARG A 78 11.728 -8.630 -4.574 1.00 0.00 C ATOM 962 CG ARG A 78 12.038 -8.408 -6.045 1.00 0.00 C ATOM 963 CD ARG A 78 10.986 -9.042 -6.942 1.00 0.00 C ATOM 964 NE ARG A 78 11.567 -10.014 -7.865 1.00 0.00 N ATOM 965 CZ ARG A 78 11.823 -11.282 -7.546 1.00 0.00 C ATOM 966 NH1 ARG A 78 11.555 -11.736 -6.328 1.00 0.00 N ATOM 967 NH2 ARG A 78 12.352 -12.098 -8.449 1.00 0.00 N ATOM 0 H ARG A 78 12.868 -6.489 -4.070 1.00 0.00 H new ATOM 0 HA ARG A 78 10.140 -7.182 -4.513 1.00 0.00 H new ATOM 0 HB2 ARG A 78 12.659 -8.823 -4.040 1.00 0.00 H new ATOM 0 HB3 ARG A 78 11.111 -9.523 -4.472 1.00 0.00 H new ATOM 0 HG2 ARG A 78 12.093 -7.339 -6.248 1.00 0.00 H new ATOM 0 HG3 ARG A 78 13.016 -8.828 -6.278 1.00 0.00 H new ATOM 0 HD2 ARG A 78 10.232 -9.533 -6.326 1.00 0.00 H new ATOM 0 HD3 ARG A 78 10.476 -8.263 -7.509 1.00 0.00 H new ATOM 0 HE ARG A 78 11.790 -9.703 -8.811 1.00 0.00 H new ATOM 0 HH11 ARG A 78 11.150 -11.113 -5.629 1.00 0.00 H new ATOM 0 HH12 ARG A 78 11.754 -12.708 -6.091 1.00 0.00 H new ATOM 0 HH21 ARG A 78 12.562 -11.754 -9.386 1.00 0.00 H new ATOM 0 HH22 ARG A 78 12.548 -13.069 -8.206 1.00 0.00 H new ATOM 981 N THR A 79 9.442 -7.239 -2.074 1.00 0.00 N ATOM 982 CA THR A 79 8.887 -7.529 -0.757 1.00 0.00 C ATOM 983 C THR A 79 7.761 -8.556 -0.844 1.00 0.00 C ATOM 984 O THR A 79 6.870 -8.585 0.006 1.00 0.00 O ATOM 985 CB THR A 79 8.369 -6.245 -0.105 1.00 0.00 C ATOM 986 OG1 THR A 79 7.169 -5.818 -0.722 1.00 0.00 O ATOM 987 CG2 THR A 79 9.356 -5.100 -0.177 1.00 0.00 C ATOM 0 H THR A 79 8.923 -6.541 -2.606 1.00 0.00 H new ATOM 0 HA THR A 79 9.685 -7.948 -0.144 1.00 0.00 H new ATOM 0 HB THR A 79 8.205 -6.498 0.943 1.00 0.00 H new ATOM 0 HG1 THR A 79 7.290 -5.797 -1.694 1.00 0.00 H new ATOM 0 HG21 THR A 79 8.928 -4.220 0.303 1.00 0.00 H new ATOM 0 HG22 THR A 79 10.277 -5.381 0.335 1.00 0.00 H new ATOM 0 HG23 THR A 79 9.575 -4.874 -1.220 1.00 0.00 H new ATOM 995 N ARG A 80 7.804 -9.399 -1.871 1.00 0.00 N ATOM 996 CA ARG A 80 6.784 -10.426 -2.057 1.00 0.00 C ATOM 997 C ARG A 80 6.982 -11.568 -1.066 1.00 0.00 C ATOM 998 O ARG A 80 6.030 -12.025 -0.432 1.00 0.00 O ATOM 999 CB ARG A 80 6.817 -10.961 -3.489 1.00 0.00 C ATOM 1000 CG ARG A 80 5.441 -11.270 -4.056 1.00 0.00 C ATOM 1001 CD ARG A 80 5.213 -12.766 -4.191 1.00 0.00 C ATOM 1002 NE ARG A 80 5.750 -13.291 -5.445 1.00 0.00 N ATOM 1003 CZ ARG A 80 6.015 -14.577 -5.657 1.00 0.00 C ATOM 1004 NH1 ARG A 80 5.793 -15.474 -4.704 1.00 0.00 N ATOM 1005 NH2 ARG A 80 6.502 -14.969 -6.826 1.00 0.00 N ATOM 0 H ARG A 80 8.532 -9.392 -2.585 1.00 0.00 H new ATOM 0 HA ARG A 80 5.809 -9.973 -1.875 1.00 0.00 H new ATOM 0 HB2 ARG A 80 7.309 -10.229 -4.130 1.00 0.00 H new ATOM 0 HB3 ARG A 80 7.423 -11.866 -3.516 1.00 0.00 H new ATOM 0 HG2 ARG A 80 4.676 -10.842 -3.408 1.00 0.00 H new ATOM 0 HG3 ARG A 80 5.334 -10.796 -5.032 1.00 0.00 H new ATOM 0 HD2 ARG A 80 5.681 -13.281 -3.352 1.00 0.00 H new ATOM 0 HD3 ARG A 80 4.145 -12.976 -4.138 1.00 0.00 H new ATOM 0 HE ARG A 80 5.932 -12.632 -6.202 1.00 0.00 H new ATOM 0 HH11 ARG A 80 5.417 -15.178 -3.803 1.00 0.00 H new ATOM 0 HH12 ARG A 80 5.998 -16.459 -4.873 1.00 0.00 H new ATOM 0 HH21 ARG A 80 6.673 -14.284 -7.562 1.00 0.00 H new ATOM 0 HH22 ARG A 80 6.705 -15.955 -6.989 1.00 0.00 H new ATOM 1019 N ASP A 81 8.224 -12.025 -0.938 1.00 0.00 N ATOM 1020 CA ASP A 81 8.549 -13.113 -0.021 1.00 0.00 C ATOM 1021 C ASP A 81 8.972 -12.575 1.344 1.00 0.00 C ATOM 1022 O ASP A 81 9.615 -13.278 2.125 1.00 0.00 O ATOM 1023 CB ASP A 81 9.663 -13.983 -0.607 1.00 0.00 C ATOM 1024 CG ASP A 81 9.125 -15.142 -1.422 1.00 0.00 C ATOM 1025 OD1 ASP A 81 8.454 -16.018 -0.836 1.00 0.00 O ATOM 1026 OD2 ASP A 81 9.372 -15.172 -2.645 1.00 0.00 O ATOM 0 H ASP A 81 9.022 -11.659 -1.457 1.00 0.00 H new ATOM 0 HA ASP A 81 7.653 -13.719 0.113 1.00 0.00 H new ATOM 0 HB2 ASP A 81 10.307 -13.368 -1.236 1.00 0.00 H new ATOM 0 HB3 ASP A 81 10.283 -14.369 0.203 1.00 0.00 H new ATOM 1031 N PHE A 82 8.612 -11.326 1.629 1.00 0.00 N ATOM 1032 CA PHE A 82 8.957 -10.700 2.898 1.00 0.00 C ATOM 1033 C PHE A 82 7.976 -11.106 3.990 1.00 0.00 C ATOM 1034 O PHE A 82 6.948 -11.726 3.719 1.00 0.00 O ATOM 1035 CB PHE A 82 8.963 -9.178 2.749 1.00 0.00 C ATOM 1036 CG PHE A 82 10.286 -8.615 2.313 1.00 0.00 C ATOM 1037 CD1 PHE A 82 11.084 -9.297 1.408 1.00 0.00 C ATOM 1038 CD2 PHE A 82 10.728 -7.399 2.807 1.00 0.00 C ATOM 1039 CE1 PHE A 82 12.298 -8.778 1.006 1.00 0.00 C ATOM 1040 CE2 PHE A 82 11.942 -6.874 2.408 1.00 0.00 C ATOM 1041 CZ PHE A 82 12.729 -7.564 1.507 1.00 0.00 C ATOM 0 H PHE A 82 8.081 -10.728 0.996 1.00 0.00 H new ATOM 0 HA PHE A 82 9.953 -11.039 3.184 1.00 0.00 H new ATOM 0 HB2 PHE A 82 8.200 -8.890 2.025 1.00 0.00 H new ATOM 0 HB3 PHE A 82 8.684 -8.728 3.702 1.00 0.00 H new ATOM 0 HD1 PHE A 82 10.752 -10.246 1.013 1.00 0.00 H new ATOM 0 HD2 PHE A 82 10.117 -6.855 3.512 1.00 0.00 H new ATOM 0 HE1 PHE A 82 12.911 -9.320 0.301 1.00 0.00 H new ATOM 0 HE2 PHE A 82 12.275 -5.925 2.800 1.00 0.00 H new ATOM 0 HZ PHE A 82 13.679 -7.156 1.195 1.00 0.00 H new ATOM 1051 N ASP A 83 8.297 -10.742 5.227 1.00 0.00 N ATOM 1052 CA ASP A 83 7.441 -11.057 6.362 1.00 0.00 C ATOM 1053 C ASP A 83 6.701 -9.811 6.830 1.00 0.00 C ATOM 1054 O ASP A 83 7.124 -8.688 6.553 1.00 0.00 O ATOM 1055 CB ASP A 83 8.270 -11.636 7.510 1.00 0.00 C ATOM 1056 CG ASP A 83 7.428 -12.430 8.489 1.00 0.00 C ATOM 1057 OD1 ASP A 83 6.824 -11.811 9.391 1.00 0.00 O ATOM 1058 OD2 ASP A 83 7.370 -13.670 8.353 1.00 0.00 O ATOM 0 H ASP A 83 9.145 -10.228 5.468 1.00 0.00 H new ATOM 0 HA ASP A 83 6.710 -11.802 6.046 1.00 0.00 H new ATOM 0 HB2 ASP A 83 9.051 -12.278 7.103 1.00 0.00 H new ATOM 0 HB3 ASP A 83 8.769 -10.824 8.039 1.00 0.00 H new ATOM 1063 N CYS A 84 5.595 -10.010 7.537 1.00 0.00 N ATOM 1064 CA CYS A 84 4.800 -8.894 8.040 1.00 0.00 C ATOM 1065 C CYS A 84 5.677 -7.905 8.795 1.00 0.00 C ATOM 1066 O CYS A 84 5.524 -6.692 8.657 1.00 0.00 O ATOM 1067 CB CYS A 84 3.683 -9.402 8.954 1.00 0.00 C ATOM 1068 SG CYS A 84 2.722 -10.768 8.264 1.00 0.00 S ATOM 0 H CYS A 84 5.228 -10.931 7.775 1.00 0.00 H new ATOM 0 HA CYS A 84 4.354 -8.384 7.186 1.00 0.00 H new ATOM 0 HB2 CYS A 84 4.120 -9.722 9.900 1.00 0.00 H new ATOM 0 HB3 CYS A 84 3.009 -8.575 9.178 1.00 0.00 H new ATOM 0 HG CYS A 84 3.418 -11.864 8.328 1.00 0.00 H new ATOM 1074 N CYS A 85 6.599 -8.432 9.591 1.00 0.00 N ATOM 1075 CA CYS A 85 7.500 -7.599 10.368 1.00 0.00 C ATOM 1076 C CYS A 85 8.429 -6.794 9.463 1.00 0.00 C ATOM 1077 O CYS A 85 8.971 -5.768 9.871 1.00 0.00 O ATOM 1078 CB CYS A 85 8.322 -8.458 11.331 1.00 0.00 C ATOM 1079 SG CYS A 85 9.213 -7.509 12.587 1.00 0.00 S ATOM 0 H CYS A 85 6.740 -9.435 9.714 1.00 0.00 H new ATOM 0 HA CYS A 85 6.894 -6.898 10.943 1.00 0.00 H new ATOM 0 HB2 CYS A 85 7.658 -9.165 11.828 1.00 0.00 H new ATOM 0 HB3 CYS A 85 9.039 -9.044 10.757 1.00 0.00 H new ATOM 0 HG CYS A 85 9.492 -6.328 12.122 1.00 0.00 H new ATOM 1085 N LEU A 86 8.606 -7.265 8.231 1.00 0.00 N ATOM 1086 CA LEU A 86 9.467 -6.585 7.269 1.00 0.00 C ATOM 1087 C LEU A 86 8.653 -5.648 6.384 1.00 0.00 C ATOM 1088 O LEU A 86 9.151 -4.616 5.922 1.00 0.00 O ATOM 1089 CB LEU A 86 10.204 -7.610 6.404 1.00 0.00 C ATOM 1090 CG LEU A 86 11.536 -8.100 6.973 1.00 0.00 C ATOM 1091 CD1 LEU A 86 11.307 -8.930 8.227 1.00 0.00 C ATOM 1092 CD2 LEU A 86 12.297 -8.904 5.930 1.00 0.00 C ATOM 0 H LEU A 86 8.165 -8.114 7.876 1.00 0.00 H new ATOM 0 HA LEU A 86 10.197 -5.993 7.822 1.00 0.00 H new ATOM 0 HB2 LEU A 86 9.552 -8.471 6.253 1.00 0.00 H new ATOM 0 HB3 LEU A 86 10.385 -7.171 5.423 1.00 0.00 H new ATOM 0 HG LEU A 86 12.137 -7.231 7.242 1.00 0.00 H new ATOM 0 HD11 LEU A 86 12.266 -9.270 8.618 1.00 0.00 H new ATOM 0 HD12 LEU A 86 10.803 -8.322 8.979 1.00 0.00 H new ATOM 0 HD13 LEU A 86 10.687 -9.793 7.984 1.00 0.00 H new ATOM 0 HD21 LEU A 86 13.242 -9.245 6.352 1.00 0.00 H new ATOM 0 HD22 LEU A 86 11.702 -9.766 5.630 1.00 0.00 H new ATOM 0 HD23 LEU A 86 12.493 -8.278 5.060 1.00 0.00 H new ATOM 1104 N VAL A 87 7.396 -6.008 6.156 1.00 0.00 N ATOM 1105 CA VAL A 87 6.508 -5.207 5.330 1.00 0.00 C ATOM 1106 C VAL A 87 5.969 -4.006 6.101 1.00 0.00 C ATOM 1107 O VAL A 87 5.788 -2.930 5.533 1.00 0.00 O ATOM 1108 CB VAL A 87 5.331 -6.050 4.799 1.00 0.00 C ATOM 1109 CG1 VAL A 87 4.441 -5.223 3.883 1.00 0.00 C ATOM 1110 CG2 VAL A 87 5.851 -7.283 4.076 1.00 0.00 C ATOM 0 H VAL A 87 6.969 -6.854 6.534 1.00 0.00 H new ATOM 0 HA VAL A 87 7.094 -4.847 4.484 1.00 0.00 H new ATOM 0 HB VAL A 87 4.729 -6.374 5.648 1.00 0.00 H new ATOM 0 HG11 VAL A 87 3.618 -5.840 3.521 1.00 0.00 H new ATOM 0 HG12 VAL A 87 4.041 -4.372 4.435 1.00 0.00 H new ATOM 0 HG13 VAL A 87 5.025 -4.864 3.036 1.00 0.00 H new ATOM 0 HG21 VAL A 87 5.010 -7.870 3.706 1.00 0.00 H new ATOM 0 HG22 VAL A 87 6.476 -6.976 3.238 1.00 0.00 H new ATOM 0 HG23 VAL A 87 6.440 -7.888 4.766 1.00 0.00 H new ATOM 1120 N VAL A 88 5.715 -4.188 7.395 1.00 0.00 N ATOM 1121 CA VAL A 88 5.198 -3.100 8.216 1.00 0.00 C ATOM 1122 C VAL A 88 6.157 -1.908 8.208 1.00 0.00 C ATOM 1123 O VAL A 88 5.746 -0.779 7.939 1.00 0.00 O ATOM 1124 CB VAL A 88 4.931 -3.544 9.671 1.00 0.00 C ATOM 1125 CG1 VAL A 88 4.377 -2.388 10.493 1.00 0.00 C ATOM 1126 CG2 VAL A 88 3.975 -4.728 9.700 1.00 0.00 C ATOM 0 H VAL A 88 5.857 -5.068 7.891 1.00 0.00 H new ATOM 0 HA VAL A 88 4.247 -2.800 7.776 1.00 0.00 H new ATOM 0 HB VAL A 88 5.877 -3.854 10.114 1.00 0.00 H new ATOM 0 HG11 VAL A 88 4.196 -2.722 11.515 1.00 0.00 H new ATOM 0 HG12 VAL A 88 5.097 -1.569 10.501 1.00 0.00 H new ATOM 0 HG13 VAL A 88 3.441 -2.044 10.052 1.00 0.00 H new ATOM 0 HG21 VAL A 88 3.798 -5.028 10.733 1.00 0.00 H new ATOM 0 HG22 VAL A 88 3.030 -4.444 9.238 1.00 0.00 H new ATOM 0 HG23 VAL A 88 4.412 -5.562 9.150 1.00 0.00 H new ATOM 1136 N PRO A 89 7.454 -2.139 8.488 1.00 0.00 N ATOM 1137 CA PRO A 89 8.458 -1.074 8.493 1.00 0.00 C ATOM 1138 C PRO A 89 8.690 -0.520 7.093 1.00 0.00 C ATOM 1139 O PRO A 89 8.692 0.694 6.890 1.00 0.00 O ATOM 1140 CB PRO A 89 9.730 -1.759 9.019 1.00 0.00 C ATOM 1141 CG PRO A 89 9.269 -3.056 9.592 1.00 0.00 C ATOM 1142 CD PRO A 89 8.051 -3.440 8.806 1.00 0.00 C ATOM 0 HA PRO A 89 8.150 -0.224 9.102 1.00 0.00 H new ATOM 0 HB2 PRO A 89 10.452 -1.917 8.218 1.00 0.00 H new ATOM 0 HB3 PRO A 89 10.222 -1.148 9.775 1.00 0.00 H new ATOM 0 HG2 PRO A 89 10.044 -3.818 9.509 1.00 0.00 H new ATOM 0 HG3 PRO A 89 9.035 -2.954 10.652 1.00 0.00 H new ATOM 0 HD2 PRO A 89 8.308 -3.999 7.906 1.00 0.00 H new ATOM 0 HD3 PRO A 89 7.374 -4.066 9.387 1.00 0.00 H new ATOM 1150 N LEU A 90 8.879 -1.417 6.124 1.00 0.00 N ATOM 1151 CA LEU A 90 9.100 -1.007 4.744 1.00 0.00 C ATOM 1152 C LEU A 90 7.967 -0.101 4.267 1.00 0.00 C ATOM 1153 O LEU A 90 8.170 0.776 3.426 1.00 0.00 O ATOM 1154 CB LEU A 90 9.210 -2.233 3.835 1.00 0.00 C ATOM 1155 CG LEU A 90 10.575 -2.923 3.847 1.00 0.00 C ATOM 1156 CD1 LEU A 90 10.432 -4.395 3.491 1.00 0.00 C ATOM 1157 CD2 LEU A 90 11.530 -2.229 2.888 1.00 0.00 C ATOM 0 H LEU A 90 8.883 -2.426 6.272 1.00 0.00 H new ATOM 0 HA LEU A 90 10.036 -0.450 4.697 1.00 0.00 H new ATOM 0 HB2 LEU A 90 8.451 -2.957 4.132 1.00 0.00 H new ATOM 0 HB3 LEU A 90 8.981 -1.931 2.813 1.00 0.00 H new ATOM 0 HG LEU A 90 10.989 -2.853 4.853 1.00 0.00 H new ATOM 0 HD11 LEU A 90 11.413 -4.870 3.505 1.00 0.00 H new ATOM 0 HD12 LEU A 90 9.783 -4.884 4.217 1.00 0.00 H new ATOM 0 HD13 LEU A 90 9.998 -4.488 2.496 1.00 0.00 H new ATOM 0 HD21 LEU A 90 12.496 -2.733 2.909 1.00 0.00 H new ATOM 0 HD22 LEU A 90 11.123 -2.267 1.878 1.00 0.00 H new ATOM 0 HD23 LEU A 90 11.656 -1.189 3.189 1.00 0.00 H new ATOM 1169 N ILE A 91 6.778 -0.315 4.821 1.00 0.00 N ATOM 1170 CA ILE A 91 5.609 0.481 4.469 1.00 0.00 C ATOM 1171 C ILE A 91 5.706 1.873 5.094 1.00 0.00 C ATOM 1172 O ILE A 91 5.467 2.881 4.428 1.00 0.00 O ATOM 1173 CB ILE A 91 4.304 -0.226 4.926 1.00 0.00 C ATOM 1174 CG1 ILE A 91 3.998 -1.401 3.995 1.00 0.00 C ATOM 1175 CG2 ILE A 91 3.115 0.731 4.966 1.00 0.00 C ATOM 1176 CD1 ILE A 91 3.000 -2.383 4.569 1.00 0.00 C ATOM 0 H ILE A 91 6.599 -1.037 5.519 1.00 0.00 H new ATOM 0 HA ILE A 91 5.580 0.585 3.384 1.00 0.00 H new ATOM 0 HB ILE A 91 4.464 -0.590 5.941 1.00 0.00 H new ATOM 0 HG12 ILE A 91 3.614 -1.015 3.051 1.00 0.00 H new ATOM 0 HG13 ILE A 91 4.926 -1.927 3.771 1.00 0.00 H new ATOM 0 HG21 ILE A 91 2.225 0.192 5.291 1.00 0.00 H new ATOM 0 HG22 ILE A 91 3.324 1.542 5.664 1.00 0.00 H new ATOM 0 HG23 ILE A 91 2.946 1.144 3.971 1.00 0.00 H new ATOM 0 HD11 ILE A 91 2.831 -3.189 3.855 1.00 0.00 H new ATOM 0 HD12 ILE A 91 3.390 -2.797 5.499 1.00 0.00 H new ATOM 0 HD13 ILE A 91 2.058 -1.871 4.767 1.00 0.00 H new ATOM 1188 N ALA A 92 6.055 1.919 6.375 1.00 0.00 N ATOM 1189 CA ALA A 92 6.180 3.179 7.088 1.00 0.00 C ATOM 1190 C ALA A 92 7.518 3.862 6.811 1.00 0.00 C ATOM 1191 O ALA A 92 7.766 4.970 7.287 1.00 0.00 O ATOM 1192 CB ALA A 92 6.004 2.956 8.583 1.00 0.00 C ATOM 0 H ALA A 92 6.256 1.094 6.940 1.00 0.00 H new ATOM 0 HA ALA A 92 5.393 3.840 6.726 1.00 0.00 H new ATOM 0 HB1 ALA A 92 6.100 3.907 9.107 1.00 0.00 H new ATOM 0 HB2 ALA A 92 5.017 2.534 8.774 1.00 0.00 H new ATOM 0 HB3 ALA A 92 6.769 2.266 8.941 1.00 0.00 H new ATOM 1198 N GLU A 93 8.385 3.198 6.049 1.00 0.00 N ATOM 1199 CA GLU A 93 9.697 3.754 5.728 1.00 0.00 C ATOM 1200 C GLU A 93 9.690 4.485 4.388 1.00 0.00 C ATOM 1201 O GLU A 93 10.605 5.251 4.085 1.00 0.00 O ATOM 1202 CB GLU A 93 10.752 2.648 5.712 1.00 0.00 C ATOM 1203 CG GLU A 93 11.324 2.331 7.084 1.00 0.00 C ATOM 1204 CD GLU A 93 12.216 1.105 7.076 1.00 0.00 C ATOM 1205 OE1 GLU A 93 11.988 0.212 6.233 1.00 0.00 O ATOM 1206 OE2 GLU A 93 13.142 1.039 7.911 1.00 0.00 O ATOM 0 H GLU A 93 8.204 2.279 5.644 1.00 0.00 H new ATOM 0 HA GLU A 93 9.944 4.479 6.503 1.00 0.00 H new ATOM 0 HB2 GLU A 93 10.311 1.743 5.294 1.00 0.00 H new ATOM 0 HB3 GLU A 93 11.565 2.943 5.048 1.00 0.00 H new ATOM 0 HG2 GLU A 93 11.894 3.188 7.442 1.00 0.00 H new ATOM 0 HG3 GLU A 93 10.506 2.176 7.787 1.00 0.00 H new ATOM 1213 N SER A 94 8.659 4.244 3.588 1.00 0.00 N ATOM 1214 CA SER A 94 8.544 4.882 2.280 1.00 0.00 C ATOM 1215 C SER A 94 8.371 6.392 2.411 1.00 0.00 C ATOM 1216 O SER A 94 8.551 7.133 1.444 1.00 0.00 O ATOM 1217 CB SER A 94 7.372 4.291 1.500 1.00 0.00 C ATOM 1218 OG SER A 94 7.593 4.376 0.103 1.00 0.00 O ATOM 0 H SER A 94 7.892 3.613 3.820 1.00 0.00 H new ATOM 0 HA SER A 94 9.469 4.691 1.737 1.00 0.00 H new ATOM 0 HB2 SER A 94 7.230 3.249 1.786 1.00 0.00 H new ATOM 0 HB3 SER A 94 6.455 4.821 1.759 1.00 0.00 H new ATOM 0 HG SER A 94 7.195 5.203 -0.242 1.00 0.00 H new ATOM 1224 N GLY A 95 8.024 6.843 3.610 1.00 0.00 N ATOM 1225 CA GLY A 95 7.835 8.262 3.843 1.00 0.00 C ATOM 1226 C GLY A 95 6.379 8.680 3.760 1.00 0.00 C ATOM 1227 O GLY A 95 5.492 7.956 4.213 1.00 0.00 O ATOM 0 H GLY A 95 7.870 6.251 4.426 1.00 0.00 H new ATOM 0 HA2 GLY A 95 8.227 8.520 4.827 1.00 0.00 H new ATOM 0 HA3 GLY A 95 8.413 8.826 3.111 1.00 0.00 H new ATOM 1231 N ASN A 96 6.135 9.852 3.184 1.00 0.00 N ATOM 1232 CA ASN A 96 4.778 10.372 3.045 1.00 0.00 C ATOM 1233 C ASN A 96 4.005 9.631 1.956 1.00 0.00 C ATOM 1234 O ASN A 96 2.776 9.651 1.935 1.00 0.00 O ATOM 1235 CB ASN A 96 4.815 11.868 2.731 1.00 0.00 C ATOM 1236 CG ASN A 96 5.535 12.665 3.799 1.00 0.00 C ATOM 1237 OD1 ASN A 96 6.415 13.472 3.500 1.00 0.00 O ATOM 1238 ND2 ASN A 96 5.166 12.441 5.055 1.00 0.00 N ATOM 0 H ASN A 96 6.860 10.461 2.805 1.00 0.00 H new ATOM 0 HA ASN A 96 4.263 10.214 3.993 1.00 0.00 H new ATOM 0 HB2 ASN A 96 5.308 12.023 1.771 1.00 0.00 H new ATOM 0 HB3 ASN A 96 3.796 12.240 2.629 1.00 0.00 H new ATOM 0 HD21 ASN A 96 5.617 12.947 5.817 1.00 0.00 H new ATOM 0 HD22 ASN A 96 4.432 11.763 5.258 1.00 0.00 H new ATOM 1245 N LYS A 97 4.731 8.977 1.053 1.00 0.00 N ATOM 1246 CA LYS A 97 4.108 8.232 -0.037 1.00 0.00 C ATOM 1247 C LYS A 97 4.640 6.804 -0.086 1.00 0.00 C ATOM 1248 O LYS A 97 5.769 6.541 0.327 1.00 0.00 O ATOM 1249 CB LYS A 97 4.362 8.931 -1.374 1.00 0.00 C ATOM 1250 CG LYS A 97 3.270 9.911 -1.769 1.00 0.00 C ATOM 1251 CD LYS A 97 2.843 9.723 -3.217 1.00 0.00 C ATOM 1252 CE LYS A 97 4.006 9.928 -4.175 1.00 0.00 C ATOM 1253 NZ LYS A 97 3.930 11.243 -4.869 1.00 0.00 N ATOM 0 H LYS A 97 5.751 8.948 1.055 1.00 0.00 H new ATOM 0 HA LYS A 97 3.034 8.197 0.145 1.00 0.00 H new ATOM 0 HB2 LYS A 97 5.312 9.462 -1.321 1.00 0.00 H new ATOM 0 HB3 LYS A 97 4.461 8.177 -2.155 1.00 0.00 H new ATOM 0 HG2 LYS A 97 2.408 9.778 -1.115 1.00 0.00 H new ATOM 0 HG3 LYS A 97 3.626 10.931 -1.624 1.00 0.00 H new ATOM 0 HD2 LYS A 97 2.434 8.721 -3.349 1.00 0.00 H new ATOM 0 HD3 LYS A 97 2.046 10.427 -3.456 1.00 0.00 H new ATOM 0 HE2 LYS A 97 4.945 9.862 -3.625 1.00 0.00 H new ATOM 0 HE3 LYS A 97 4.012 9.127 -4.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 4.741 11.343 -5.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 3.046 11.297 -5.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 3.950 12.009 -4.165 1.00 0.00 H new ATOM 1267 N LEU A 98 3.825 5.884 -0.593 1.00 0.00 N ATOM 1268 CA LEU A 98 4.230 4.487 -0.689 1.00 0.00 C ATOM 1269 C LEU A 98 3.857 3.887 -2.039 1.00 0.00 C ATOM 1270 O LEU A 98 2.727 3.446 -2.241 1.00 0.00 O ATOM 1271 CB LEU A 98 3.583 3.666 0.433 1.00 0.00 C ATOM 1272 CG LEU A 98 4.533 2.730 1.181 1.00 0.00 C ATOM 1273 CD1 LEU A 98 3.747 1.768 2.057 1.00 0.00 C ATOM 1274 CD2 LEU A 98 5.419 1.967 0.206 1.00 0.00 C ATOM 0 H LEU A 98 2.886 6.079 -0.941 1.00 0.00 H new ATOM 0 HA LEU A 98 5.315 4.453 -0.587 1.00 0.00 H new ATOM 0 HB2 LEU A 98 3.133 4.352 1.151 1.00 0.00 H new ATOM 0 HB3 LEU A 98 2.773 3.073 0.008 1.00 0.00 H new ATOM 0 HG LEU A 98 5.177 3.334 1.821 1.00 0.00 H new ATOM 0 HD11 LEU A 98 4.437 1.108 2.583 1.00 0.00 H new ATOM 0 HD12 LEU A 98 3.161 2.332 2.782 1.00 0.00 H new ATOM 0 HD13 LEU A 98 3.079 1.173 1.435 1.00 0.00 H new ATOM 0 HD21 LEU A 98 6.087 1.307 0.761 1.00 0.00 H new ATOM 0 HD22 LEU A 98 4.796 1.374 -0.464 1.00 0.00 H new ATOM 0 HD23 LEU A 98 6.009 2.673 -0.378 1.00 0.00 H new ATOM 1286 N ASP A 99 4.822 3.848 -2.951 1.00 0.00 N ATOM 1287 CA ASP A 99 4.597 3.272 -4.269 1.00 0.00 C ATOM 1288 C ASP A 99 4.976 1.798 -4.254 1.00 0.00 C ATOM 1289 O ASP A 99 6.128 1.450 -3.993 1.00 0.00 O ATOM 1290 CB ASP A 99 5.412 4.017 -5.328 1.00 0.00 C ATOM 1291 CG ASP A 99 4.744 5.304 -5.773 1.00 0.00 C ATOM 1292 OD1 ASP A 99 4.913 6.331 -5.083 1.00 0.00 O ATOM 1293 OD2 ASP A 99 4.051 5.284 -6.812 1.00 0.00 O ATOM 0 H ASP A 99 5.765 4.208 -2.801 1.00 0.00 H new ATOM 0 HA ASP A 99 3.541 3.369 -4.521 1.00 0.00 H new ATOM 0 HB2 ASP A 99 6.401 4.243 -4.929 1.00 0.00 H new ATOM 0 HB3 ASP A 99 5.558 3.369 -6.192 1.00 0.00 H new ATOM 1298 N LEU A 100 4.003 0.931 -4.511 1.00 0.00 N ATOM 1299 CA LEU A 100 4.256 -0.507 -4.498 1.00 0.00 C ATOM 1300 C LEU A 100 3.403 -1.245 -5.522 1.00 0.00 C ATOM 1301 O LEU A 100 2.402 -0.724 -6.010 1.00 0.00 O ATOM 1302 CB LEU A 100 3.980 -1.071 -3.102 1.00 0.00 C ATOM 1303 CG LEU A 100 2.747 -0.494 -2.399 1.00 0.00 C ATOM 1304 CD1 LEU A 100 1.572 -1.454 -2.504 1.00 0.00 C ATOM 1305 CD2 LEU A 100 3.058 -0.188 -0.940 1.00 0.00 C ATOM 0 H LEU A 100 3.042 1.193 -4.729 1.00 0.00 H new ATOM 0 HA LEU A 100 5.303 -0.658 -4.763 1.00 0.00 H new ATOM 0 HB2 LEU A 100 3.861 -2.152 -3.181 1.00 0.00 H new ATOM 0 HB3 LEU A 100 4.854 -0.891 -2.475 1.00 0.00 H new ATOM 0 HG LEU A 100 2.474 0.437 -2.896 1.00 0.00 H new ATOM 0 HD11 LEU A 100 0.706 -1.026 -1.999 1.00 0.00 H new ATOM 0 HD12 LEU A 100 1.333 -1.623 -3.554 1.00 0.00 H new ATOM 0 HD13 LEU A 100 1.834 -2.402 -2.035 1.00 0.00 H new ATOM 0 HD21 LEU A 100 2.171 0.221 -0.457 1.00 0.00 H new ATOM 0 HD22 LEU A 100 3.358 -1.105 -0.432 1.00 0.00 H new ATOM 0 HD23 LEU A 100 3.868 0.539 -0.885 1.00 0.00 H new ATOM 1317 N VAL A 101 3.807 -2.476 -5.827 1.00 0.00 N ATOM 1318 CA VAL A 101 3.086 -3.313 -6.774 1.00 0.00 C ATOM 1319 C VAL A 101 2.466 -4.507 -6.058 1.00 0.00 C ATOM 1320 O VAL A 101 3.172 -5.412 -5.614 1.00 0.00 O ATOM 1321 CB VAL A 101 4.010 -3.821 -7.896 1.00 0.00 C ATOM 1322 CG1 VAL A 101 3.207 -4.549 -8.963 1.00 0.00 C ATOM 1323 CG2 VAL A 101 4.800 -2.669 -8.504 1.00 0.00 C ATOM 0 H VAL A 101 4.636 -2.915 -5.427 1.00 0.00 H new ATOM 0 HA VAL A 101 2.302 -2.701 -7.220 1.00 0.00 H new ATOM 0 HB VAL A 101 4.719 -4.527 -7.464 1.00 0.00 H new ATOM 0 HG11 VAL A 101 3.878 -4.900 -9.747 1.00 0.00 H new ATOM 0 HG12 VAL A 101 2.695 -5.401 -8.515 1.00 0.00 H new ATOM 0 HG13 VAL A 101 2.472 -3.869 -9.393 1.00 0.00 H new ATOM 0 HG21 VAL A 101 5.447 -3.049 -9.295 1.00 0.00 H new ATOM 0 HG22 VAL A 101 4.110 -1.935 -8.921 1.00 0.00 H new ATOM 0 HG23 VAL A 101 5.409 -2.198 -7.732 1.00 0.00 H new ATOM 1333 N ILE A 102 1.144 -4.496 -5.937 1.00 0.00 N ATOM 1334 CA ILE A 102 0.428 -5.571 -5.263 1.00 0.00 C ATOM 1335 C ILE A 102 -0.360 -6.417 -6.258 1.00 0.00 C ATOM 1336 O ILE A 102 -0.520 -6.041 -7.416 1.00 0.00 O ATOM 1337 CB ILE A 102 -0.554 -5.006 -4.218 1.00 0.00 C ATOM 1338 CG1 ILE A 102 -1.653 -4.206 -4.922 1.00 0.00 C ATOM 1339 CG2 ILE A 102 0.172 -4.139 -3.195 1.00 0.00 C ATOM 1340 CD1 ILE A 102 -2.845 -5.045 -5.323 1.00 0.00 C ATOM 0 H ILE A 102 0.546 -3.753 -6.298 1.00 0.00 H new ATOM 0 HA ILE A 102 1.176 -6.192 -4.770 1.00 0.00 H new ATOM 0 HB ILE A 102 -1.008 -5.839 -3.681 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -1.987 -3.405 -4.263 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -1.235 -3.734 -5.811 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -0.545 -3.754 -2.470 1.00 0.00 H new ATOM 0 HG22 ILE A 102 0.924 -4.737 -2.679 1.00 0.00 H new ATOM 0 HG23 ILE A 102 0.657 -3.306 -3.703 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -3.584 -4.414 -5.816 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -2.524 -5.830 -6.007 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -3.288 -5.496 -4.435 1.00 0.00 H new ATOM 1352 N SER A 103 -0.867 -7.550 -5.786 1.00 0.00 N ATOM 1353 CA SER A 103 -1.662 -8.444 -6.621 1.00 0.00 C ATOM 1354 C SER A 103 -2.886 -8.926 -5.849 1.00 0.00 C ATOM 1355 O SER A 103 -2.770 -9.731 -4.925 1.00 0.00 O ATOM 1356 CB SER A 103 -0.822 -9.638 -7.081 1.00 0.00 C ATOM 1357 OG SER A 103 -0.154 -10.246 -5.989 1.00 0.00 O ATOM 0 H SER A 103 -0.741 -7.872 -4.826 1.00 0.00 H new ATOM 0 HA SER A 103 -1.992 -7.896 -7.503 1.00 0.00 H new ATOM 0 HB2 SER A 103 -1.464 -10.370 -7.571 1.00 0.00 H new ATOM 0 HB3 SER A 103 -0.091 -9.309 -7.820 1.00 0.00 H new ATOM 0 HG SER A 103 0.090 -11.165 -6.225 1.00 0.00 H new ATOM 1363 N ARG A 104 -4.057 -8.409 -6.214 1.00 0.00 N ATOM 1364 CA ARG A 104 -5.296 -8.770 -5.531 1.00 0.00 C ATOM 1365 C ARG A 104 -6.247 -9.559 -6.430 1.00 0.00 C ATOM 1366 O ARG A 104 -6.458 -9.208 -7.591 1.00 0.00 O ATOM 1367 CB ARG A 104 -5.996 -7.508 -5.022 1.00 0.00 C ATOM 1368 CG ARG A 104 -6.658 -6.688 -6.124 1.00 0.00 C ATOM 1369 CD ARG A 104 -6.329 -5.208 -6.008 1.00 0.00 C ATOM 1370 NE ARG A 104 -7.529 -4.393 -5.830 1.00 0.00 N ATOM 1371 CZ ARG A 104 -8.349 -4.056 -6.823 1.00 0.00 C ATOM 1372 NH1 ARG A 104 -8.101 -4.458 -8.064 1.00 0.00 N ATOM 1373 NH2 ARG A 104 -9.420 -3.316 -6.574 1.00 0.00 N ATOM 0 H ARG A 104 -4.173 -7.741 -6.976 1.00 0.00 H new ATOM 0 HA ARG A 104 -5.028 -9.414 -4.693 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -6.751 -7.792 -4.289 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -5.268 -6.883 -4.504 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -6.332 -7.057 -7.096 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -7.738 -6.824 -6.078 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -5.656 -5.051 -5.165 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -5.799 -4.883 -6.904 1.00 0.00 H new ATOM 0 HE ARG A 104 -7.751 -4.063 -4.891 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -7.278 -5.028 -8.261 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -8.733 -4.197 -8.821 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -9.615 -3.005 -5.622 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -10.049 -3.057 -7.334 1.00 0.00 H new ATOM 1387 N ASN A 105 -6.833 -10.616 -5.871 1.00 0.00 N ATOM 1388 CA ASN A 105 -7.784 -11.448 -6.600 1.00 0.00 C ATOM 1389 C ASN A 105 -9.213 -10.965 -6.341 1.00 0.00 C ATOM 1390 O ASN A 105 -9.597 -10.750 -5.192 1.00 0.00 O ATOM 1391 CB ASN A 105 -7.643 -12.911 -6.176 1.00 0.00 C ATOM 1392 CG ASN A 105 -7.662 -13.080 -4.671 1.00 0.00 C ATOM 1393 OD1 ASN A 105 -6.630 -13.332 -4.048 1.00 0.00 O ATOM 1394 ND2 ASN A 105 -8.841 -12.944 -4.075 1.00 0.00 N ATOM 0 H ASN A 105 -6.664 -10.916 -4.911 1.00 0.00 H new ATOM 0 HA ASN A 105 -7.570 -11.369 -7.666 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -8.453 -13.493 -6.615 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -6.711 -13.313 -6.572 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -8.916 -13.048 -3.063 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -9.671 -12.735 -4.629 1.00 0.00 H new ATOM 1401 N PRO A 106 -10.026 -10.784 -7.400 1.00 0.00 N ATOM 1402 CA PRO A 106 -11.408 -10.322 -7.254 1.00 0.00 C ATOM 1403 C PRO A 106 -12.310 -11.388 -6.640 1.00 0.00 C ATOM 1404 O PRO A 106 -13.532 -11.347 -6.895 1.00 0.00 O ATOM 1405 CB PRO A 106 -11.853 -10.007 -8.691 1.00 0.00 C ATOM 1406 CG PRO A 106 -10.617 -10.085 -9.529 1.00 0.00 C ATOM 1407 CD PRO A 106 -9.675 -11.004 -8.808 1.00 0.00 C ATOM 1408 OXT PRO A 106 -11.786 -12.256 -5.911 1.00 0.00 O ATOM 0 HA PRO A 106 -11.475 -9.465 -6.584 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -12.603 -10.721 -9.033 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -12.304 -9.017 -8.752 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -10.846 -10.466 -10.524 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -10.173 -9.098 -9.660 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -9.818 -12.043 -9.103 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -8.633 -10.755 -9.009 1.00 0.00 H new