USER MOD reduce.3.24.130724 H: found=0, std=0, add=763, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 764 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 36 HIS :FLIP no HD1:sc= -2.2 F(o=-2.8!,f=-1.9) USER MOD Set 1.2: A 50 SER OG : rot -33:sc= 0.262 USER MOD Set 2.1: A 9 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot -78:sc= 1.23 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot -39:sc= 0.0663 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -1.28 K(o=-1.3,f=-14!) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= -2.52! USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.732 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= -0.181 X(o=-0.18,f=-0.032) USER MOD Single : A 46 LYS NZ :NH3+ -157:sc= 0 (180deg=-0.499) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ -153:sc= -0.127 (180deg=-0.966) USER MOD Single : A 75 GLN :FLIP amide:sc= -0.337 F(o=-1.5,f=-0.34) USER MOD Single : A 77 MET CE :methyl -155:sc= -7.72! (180deg=-10.4!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot 180:sc= -0.428 USER MOD Single : A 90 GLN : amide:sc= -1.92 K(o=-1.9,f=-4.1!) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 ASN : amide:sc= -0.107 X(o=-0.11,f=-0.44) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 87 N VAL A 8 -1.078 -12.718 8.802 1.00 0.00 N ATOM 88 CA VAL A 8 -1.170 -14.173 8.799 1.00 0.00 C ATOM 89 C VAL A 8 -2.346 -14.648 7.952 1.00 0.00 C ATOM 90 O VAL A 8 -3.443 -14.093 8.026 1.00 0.00 O ATOM 91 CB VAL A 8 -1.322 -14.730 10.227 1.00 0.00 C ATOM 92 CG1 VAL A 8 -1.444 -16.246 10.199 1.00 0.00 C ATOM 93 CG2 VAL A 8 -0.150 -14.297 11.095 1.00 0.00 C ATOM 0 HA VAL A 8 -0.241 -14.547 8.369 1.00 0.00 H new ATOM 0 HB VAL A 8 -2.236 -14.324 10.661 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -1.551 -16.621 11.217 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -2.319 -16.530 9.614 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -0.550 -16.675 9.746 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -0.274 -14.699 12.100 1.00 0.00 H new ATOM 0 HG22 VAL A 8 0.779 -14.672 10.666 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -0.114 -13.209 11.142 1.00 0.00 H new ATOM 103 N THR A 9 -2.110 -15.679 7.146 1.00 0.00 N ATOM 104 CA THR A 9 -3.149 -16.228 6.285 1.00 0.00 C ATOM 105 C THR A 9 -3.724 -17.514 6.868 1.00 0.00 C ATOM 106 O THR A 9 -3.086 -18.177 7.687 1.00 0.00 O ATOM 107 CB THR A 9 -2.612 -16.515 4.870 1.00 0.00 C ATOM 108 OG1 THR A 9 -1.764 -15.444 4.441 1.00 0.00 O ATOM 109 CG2 THR A 9 -3.755 -16.690 3.882 1.00 0.00 C ATOM 0 H THR A 9 -1.208 -16.150 7.072 1.00 0.00 H new ATOM 0 HA THR A 9 -3.936 -15.477 6.222 1.00 0.00 H new ATOM 0 HB THR A 9 -2.038 -17.441 4.905 1.00 0.00 H new ATOM 0 HG1 THR A 9 -1.425 -15.635 3.541 1.00 0.00 H new ATOM 0 HG21 THR A 9 -3.351 -16.892 2.890 1.00 0.00 H new ATOM 0 HG22 THR A 9 -4.382 -17.525 4.195 1.00 0.00 H new ATOM 0 HG23 THR A 9 -4.353 -15.779 3.852 1.00 0.00 H new ATOM 117 N THR A 10 -4.933 -17.863 6.441 1.00 0.00 N ATOM 118 CA THR A 10 -5.595 -19.070 6.921 1.00 0.00 C ATOM 119 C THR A 10 -5.573 -20.167 5.863 1.00 0.00 C ATOM 120 O THR A 10 -4.998 -19.994 4.789 1.00 0.00 O ATOM 121 CB THR A 10 -7.055 -18.788 7.322 1.00 0.00 C ATOM 122 OG1 THR A 10 -7.782 -18.276 6.200 1.00 0.00 O ATOM 123 CG2 THR A 10 -7.118 -17.793 8.471 1.00 0.00 C ATOM 0 H THR A 10 -5.474 -17.327 5.763 1.00 0.00 H new ATOM 0 HA THR A 10 -5.043 -19.405 7.799 1.00 0.00 H new ATOM 0 HB THR A 10 -7.506 -19.725 7.649 1.00 0.00 H new ATOM 0 HG1 THR A 10 -7.567 -17.328 6.076 1.00 0.00 H new ATOM 0 HG21 THR A 10 -8.159 -17.609 8.737 1.00 0.00 H new ATOM 0 HG22 THR A 10 -6.590 -18.199 9.333 1.00 0.00 H new ATOM 0 HG23 THR A 10 -6.651 -16.856 8.167 1.00 0.00 H new ATOM 131 N GLU A 11 -6.204 -21.295 6.174 1.00 0.00 N ATOM 132 CA GLU A 11 -6.256 -22.421 5.248 1.00 0.00 C ATOM 133 C GLU A 11 -7.155 -22.104 4.057 1.00 0.00 C ATOM 134 O GLU A 11 -6.927 -22.586 2.948 1.00 0.00 O ATOM 135 CB GLU A 11 -6.761 -23.675 5.963 1.00 0.00 C ATOM 136 CG GLU A 11 -6.687 -24.932 5.113 1.00 0.00 C ATOM 137 CD GLU A 11 -7.927 -25.135 4.263 1.00 0.00 C ATOM 138 OE1 GLU A 11 -9.030 -24.781 4.729 1.00 0.00 O ATOM 139 OE2 GLU A 11 -7.793 -25.648 3.133 1.00 0.00 O ATOM 0 H GLU A 11 -6.686 -21.454 7.059 1.00 0.00 H new ATOM 0 HA GLU A 11 -5.246 -22.603 4.881 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -6.177 -23.826 6.871 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -7.794 -23.516 6.272 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -5.812 -24.877 4.465 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -6.550 -25.797 5.762 1.00 0.00 H new ATOM 146 N SER A 12 -8.179 -21.291 4.296 1.00 0.00 N ATOM 147 CA SER A 12 -9.117 -20.912 3.245 1.00 0.00 C ATOM 148 C SER A 12 -8.504 -19.862 2.323 1.00 0.00 C ATOM 149 O SER A 12 -8.823 -19.800 1.136 1.00 0.00 O ATOM 150 CB SER A 12 -10.413 -20.377 3.857 1.00 0.00 C ATOM 151 OG SER A 12 -11.354 -20.048 2.850 1.00 0.00 O ATOM 0 H SER A 12 -8.380 -20.882 5.208 1.00 0.00 H new ATOM 0 HA SER A 12 -9.343 -21.801 2.655 1.00 0.00 H new ATOM 0 HB2 SER A 12 -10.838 -21.124 4.527 1.00 0.00 H new ATOM 0 HB3 SER A 12 -10.197 -19.495 4.460 1.00 0.00 H new ATOM 0 HG SER A 12 -12.174 -19.710 3.267 1.00 0.00 H new ATOM 157 N GLY A 13 -7.622 -19.037 2.879 1.00 0.00 N ATOM 158 CA GLY A 13 -6.979 -18.000 2.094 1.00 0.00 C ATOM 159 C GLY A 13 -7.080 -16.634 2.744 1.00 0.00 C ATOM 160 O GLY A 13 -6.203 -15.788 2.567 1.00 0.00 O ATOM 0 H GLY A 13 -7.341 -19.068 3.859 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -5.929 -18.255 1.952 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -7.434 -17.963 1.104 1.00 0.00 H new ATOM 164 N LEU A 14 -8.153 -16.417 3.497 1.00 0.00 N ATOM 165 CA LEU A 14 -8.366 -15.143 4.174 1.00 0.00 C ATOM 166 C LEU A 14 -7.253 -14.867 5.179 1.00 0.00 C ATOM 167 O LEU A 14 -6.754 -15.781 5.837 1.00 0.00 O ATOM 168 CB LEU A 14 -9.721 -15.142 4.884 1.00 0.00 C ATOM 169 CG LEU A 14 -9.965 -13.992 5.863 1.00 0.00 C ATOM 170 CD1 LEU A 14 -11.424 -13.564 5.831 1.00 0.00 C ATOM 171 CD2 LEU A 14 -9.557 -14.397 7.272 1.00 0.00 C ATOM 0 H LEU A 14 -8.888 -17.106 3.654 1.00 0.00 H new ATOM 0 HA LEU A 14 -8.355 -14.354 3.422 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -10.505 -15.121 4.127 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -9.826 -16.082 5.426 1.00 0.00 H new ATOM 0 HG LEU A 14 -9.352 -13.144 5.558 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -11.578 -12.745 6.534 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -11.684 -13.233 4.826 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -12.057 -14.406 6.111 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -9.737 -13.567 7.956 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -10.143 -15.260 7.587 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -8.498 -14.654 7.284 1.00 0.00 H new ATOM 183 N LYS A 15 -6.868 -13.601 5.295 1.00 0.00 N ATOM 184 CA LYS A 15 -5.815 -13.202 6.222 1.00 0.00 C ATOM 185 C LYS A 15 -6.386 -12.375 7.370 1.00 0.00 C ATOM 186 O LYS A 15 -7.509 -11.877 7.290 1.00 0.00 O ATOM 187 CB LYS A 15 -4.738 -12.400 5.489 1.00 0.00 C ATOM 188 CG LYS A 15 -4.330 -13.006 4.157 1.00 0.00 C ATOM 189 CD LYS A 15 -3.254 -12.178 3.474 1.00 0.00 C ATOM 190 CE LYS A 15 -3.268 -12.380 1.967 1.00 0.00 C ATOM 191 NZ LYS A 15 -2.456 -13.560 1.558 1.00 0.00 N ATOM 0 H LYS A 15 -7.270 -12.832 4.758 1.00 0.00 H new ATOM 0 HA LYS A 15 -5.368 -14.106 6.635 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -5.102 -11.387 5.321 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -3.858 -12.321 6.127 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -3.964 -14.021 4.315 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -5.202 -13.079 3.507 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -3.406 -11.123 3.702 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -2.276 -12.452 3.870 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -4.296 -12.511 1.628 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -2.882 -11.486 1.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -2.491 -13.664 0.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -1.470 -13.424 1.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -2.840 -14.417 2.005 1.00 0.00 H new ATOM 205 N TYR A 16 -5.606 -12.233 8.435 1.00 0.00 N ATOM 206 CA TYR A 16 -6.034 -11.467 9.600 1.00 0.00 C ATOM 207 C TYR A 16 -4.842 -10.806 10.286 1.00 0.00 C ATOM 208 O TYR A 16 -3.803 -11.433 10.486 1.00 0.00 O ATOM 209 CB TYR A 16 -6.769 -12.372 10.589 1.00 0.00 C ATOM 210 CG TYR A 16 -5.850 -13.270 11.386 1.00 0.00 C ATOM 211 CD1 TYR A 16 -5.337 -14.438 10.834 1.00 0.00 C ATOM 212 CD2 TYR A 16 -5.495 -12.952 12.691 1.00 0.00 C ATOM 213 CE1 TYR A 16 -4.497 -15.262 11.558 1.00 0.00 C ATOM 214 CE2 TYR A 16 -4.655 -13.769 13.422 1.00 0.00 C ATOM 215 CZ TYR A 16 -4.159 -14.923 12.852 1.00 0.00 C ATOM 216 OH TYR A 16 -3.323 -15.741 13.577 1.00 0.00 O ATOM 0 H TYR A 16 -4.673 -12.638 8.516 1.00 0.00 H new ATOM 0 HA TYR A 16 -6.713 -10.685 9.260 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -7.344 -11.753 11.277 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -7.482 -12.989 10.043 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -5.600 -14.706 9.821 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -5.883 -12.050 13.142 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -4.107 -16.166 11.114 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -4.388 -13.506 14.435 1.00 0.00 H new ATOM 0 HH TYR A 16 -3.184 -15.359 14.469 1.00 0.00 H new ATOM 226 N GLU A 17 -5.004 -9.536 10.644 1.00 0.00 N ATOM 227 CA GLU A 17 -3.941 -8.789 11.308 1.00 0.00 C ATOM 228 C GLU A 17 -4.483 -8.031 12.517 1.00 0.00 C ATOM 229 O GLU A 17 -5.350 -7.167 12.384 1.00 0.00 O ATOM 230 CB GLU A 17 -3.287 -7.812 10.330 1.00 0.00 C ATOM 231 CG GLU A 17 -2.279 -6.881 10.983 1.00 0.00 C ATOM 232 CD GLU A 17 -1.126 -7.627 11.625 1.00 0.00 C ATOM 233 OE1 GLU A 17 -0.126 -7.889 10.925 1.00 0.00 O ATOM 234 OE2 GLU A 17 -1.224 -7.950 12.827 1.00 0.00 O ATOM 0 H GLU A 17 -5.859 -9.003 10.486 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.192 -9.501 11.654 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -2.789 -8.378 9.542 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -4.064 -7.215 9.852 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.889 -6.192 10.234 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.783 -6.279 11.739 1.00 0.00 H new ATOM 241 N ASP A 18 -3.965 -8.362 13.695 1.00 0.00 N ATOM 242 CA ASP A 18 -4.395 -7.713 14.928 1.00 0.00 C ATOM 243 C ASP A 18 -4.063 -6.224 14.903 1.00 0.00 C ATOM 244 O ASP A 18 -2.936 -5.834 14.592 1.00 0.00 O ATOM 245 CB ASP A 18 -3.733 -8.376 16.136 1.00 0.00 C ATOM 246 CG ASP A 18 -3.991 -7.620 17.425 1.00 0.00 C ATOM 247 OD1 ASP A 18 -5.003 -7.917 18.093 1.00 0.00 O ATOM 248 OD2 ASP A 18 -3.182 -6.732 17.765 1.00 0.00 O ATOM 0 H ASP A 18 -3.247 -9.075 13.822 1.00 0.00 H new ATOM 0 HA ASP A 18 -5.476 -7.824 15.010 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -4.104 -9.396 16.236 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -2.658 -8.443 15.966 1.00 0.00 H new ATOM 253 N LEU A 19 -5.050 -5.397 15.230 1.00 0.00 N ATOM 254 CA LEU A 19 -4.863 -3.950 15.244 1.00 0.00 C ATOM 255 C LEU A 19 -5.097 -3.384 16.641 1.00 0.00 C ATOM 256 O LEU A 19 -4.496 -2.381 17.026 1.00 0.00 O ATOM 257 CB LEU A 19 -5.811 -3.284 14.245 1.00 0.00 C ATOM 258 CG LEU A 19 -5.634 -3.687 12.781 1.00 0.00 C ATOM 259 CD1 LEU A 19 -6.537 -2.853 11.885 1.00 0.00 C ATOM 260 CD2 LEU A 19 -4.180 -3.543 12.359 1.00 0.00 C ATOM 0 H LEU A 19 -5.988 -5.703 15.489 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.834 -3.738 14.955 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.836 -3.509 14.542 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.687 -2.204 14.321 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.919 -4.734 12.676 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -6.397 -3.154 10.847 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -7.577 -3.008 12.171 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -6.284 -1.798 11.994 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.074 -3.834 11.314 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.867 -2.506 12.480 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.556 -4.185 12.980 1.00 0.00 H new ATOM 272 N THR A 20 -5.975 -4.036 17.398 1.00 0.00 N ATOM 273 CA THR A 20 -6.289 -3.599 18.752 1.00 0.00 C ATOM 274 C THR A 20 -6.920 -4.726 19.561 1.00 0.00 C ATOM 275 O THR A 20 -8.017 -5.188 19.248 1.00 0.00 O ATOM 276 CB THR A 20 -7.244 -2.390 18.745 1.00 0.00 C ATOM 277 OG1 THR A 20 -6.911 -1.509 17.667 1.00 0.00 O ATOM 278 CG2 THR A 20 -7.171 -1.636 20.065 1.00 0.00 C ATOM 0 H THR A 20 -6.481 -4.869 17.096 1.00 0.00 H new ATOM 0 HA THR A 20 -5.347 -3.306 19.216 1.00 0.00 H new ATOM 0 HB THR A 20 -8.261 -2.758 18.611 1.00 0.00 H new ATOM 0 HG1 THR A 20 -5.936 -1.450 17.582 1.00 0.00 H new ATOM 0 HG21 THR A 20 -7.854 -0.787 20.037 1.00 0.00 H new ATOM 0 HG22 THR A 20 -7.453 -2.302 20.880 1.00 0.00 H new ATOM 0 HG23 THR A 20 -6.154 -1.279 20.224 1.00 0.00 H new ATOM 286 N GLU A 21 -6.221 -5.164 20.604 1.00 0.00 N ATOM 287 CA GLU A 21 -6.715 -6.238 21.457 1.00 0.00 C ATOM 288 C GLU A 21 -8.133 -5.943 21.938 1.00 0.00 C ATOM 289 O GLU A 21 -8.606 -4.810 21.851 1.00 0.00 O ATOM 290 CB GLU A 21 -5.787 -6.432 22.659 1.00 0.00 C ATOM 291 CG GLU A 21 -5.970 -7.768 23.359 1.00 0.00 C ATOM 292 CD GLU A 21 -4.887 -8.041 24.385 1.00 0.00 C ATOM 293 OE1 GLU A 21 -3.697 -7.865 24.054 1.00 0.00 O ATOM 294 OE2 GLU A 21 -5.232 -8.431 25.521 1.00 0.00 O ATOM 0 H GLU A 21 -5.312 -4.792 20.878 1.00 0.00 H new ATOM 0 HA GLU A 21 -6.733 -7.155 20.869 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -4.753 -6.344 22.327 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -5.961 -5.629 23.375 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -6.943 -7.787 23.849 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -5.972 -8.566 22.617 1.00 0.00 H new ATOM 301 N GLY A 22 -8.805 -6.971 22.446 1.00 0.00 N ATOM 302 CA GLY A 22 -10.162 -6.802 22.932 1.00 0.00 C ATOM 303 C GLY A 22 -10.714 -8.066 23.561 1.00 0.00 C ATOM 304 O GLY A 22 -11.372 -8.864 22.894 1.00 0.00 O ATOM 0 H GLY A 22 -8.434 -7.918 22.530 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -10.184 -5.995 23.665 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -10.806 -6.500 22.106 1.00 0.00 H new ATOM 308 N SER A 23 -10.444 -8.250 24.850 1.00 0.00 N ATOM 309 CA SER A 23 -10.914 -9.429 25.568 1.00 0.00 C ATOM 310 C SER A 23 -12.352 -9.240 26.040 1.00 0.00 C ATOM 311 O SER A 23 -12.599 -8.918 27.202 1.00 0.00 O ATOM 312 CB SER A 23 -10.006 -9.718 26.765 1.00 0.00 C ATOM 313 OG SER A 23 -8.644 -9.510 26.434 1.00 0.00 O ATOM 0 H SER A 23 -9.903 -7.598 25.418 1.00 0.00 H new ATOM 0 HA SER A 23 -10.883 -10.277 24.884 1.00 0.00 H new ATOM 0 HB2 SER A 23 -10.283 -9.074 27.599 1.00 0.00 H new ATOM 0 HB3 SER A 23 -10.150 -10.747 27.095 1.00 0.00 H new ATOM 0 HG SER A 23 -8.085 -9.700 27.216 1.00 0.00 H new ATOM 319 N GLY A 24 -13.299 -9.444 25.129 1.00 0.00 N ATOM 320 CA GLY A 24 -14.701 -9.292 25.470 1.00 0.00 C ATOM 321 C GLY A 24 -15.485 -10.577 25.291 1.00 0.00 C ATOM 322 O GLY A 24 -15.443 -11.461 26.146 1.00 0.00 O ATOM 0 H GLY A 24 -13.120 -9.712 24.161 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -14.786 -8.960 26.505 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -15.140 -8.512 24.848 1.00 0.00 H new ATOM 326 N ALA A 25 -16.202 -10.680 24.177 1.00 0.00 N ATOM 327 CA ALA A 25 -16.997 -11.867 23.888 1.00 0.00 C ATOM 328 C ALA A 25 -17.043 -12.146 22.389 1.00 0.00 C ATOM 329 O ALA A 25 -17.310 -11.249 21.590 1.00 0.00 O ATOM 330 CB ALA A 25 -18.406 -11.705 24.439 1.00 0.00 C ATOM 0 H ALA A 25 -16.249 -9.956 23.460 1.00 0.00 H new ATOM 0 HA ALA A 25 -16.523 -12.719 24.375 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -18.989 -12.599 24.216 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -18.360 -11.562 25.519 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -18.880 -10.838 23.978 1.00 0.00 H new ATOM 336 N GLU A 26 -16.781 -13.394 22.016 1.00 0.00 N ATOM 337 CA GLU A 26 -16.790 -13.789 20.612 1.00 0.00 C ATOM 338 C GLU A 26 -18.220 -13.925 20.095 1.00 0.00 C ATOM 339 O GLU A 26 -19.088 -14.469 20.777 1.00 0.00 O ATOM 340 CB GLU A 26 -16.041 -15.110 20.426 1.00 0.00 C ATOM 341 CG GLU A 26 -15.897 -15.528 18.972 1.00 0.00 C ATOM 342 CD GLU A 26 -14.663 -16.375 18.728 1.00 0.00 C ATOM 343 OE1 GLU A 26 -13.599 -16.049 19.296 1.00 0.00 O ATOM 344 OE2 GLU A 26 -14.760 -17.363 17.971 1.00 0.00 O ATOM 0 H GLU A 26 -16.560 -14.149 22.665 1.00 0.00 H new ATOM 0 HA GLU A 26 -16.287 -13.011 20.038 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -15.049 -15.021 20.870 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -16.565 -15.895 20.971 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -16.782 -16.087 18.669 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -15.852 -14.638 18.345 1.00 0.00 H new ATOM 351 N ALA A 27 -18.455 -13.428 18.886 1.00 0.00 N ATOM 352 CA ALA A 27 -19.778 -13.495 18.276 1.00 0.00 C ATOM 353 C ALA A 27 -20.236 -14.940 18.116 1.00 0.00 C ATOM 354 O ALA A 27 -19.418 -15.846 17.954 1.00 0.00 O ATOM 355 CB ALA A 27 -19.774 -12.788 16.929 1.00 0.00 C ATOM 0 H ALA A 27 -17.747 -12.974 18.309 1.00 0.00 H new ATOM 0 HA ALA A 27 -20.482 -12.990 18.937 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -20.768 -12.846 16.485 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -19.499 -11.743 17.068 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -19.053 -13.269 16.268 1.00 0.00 H new ATOM 361 N ARG A 28 -21.547 -15.149 18.163 1.00 0.00 N ATOM 362 CA ARG A 28 -22.113 -16.486 18.026 1.00 0.00 C ATOM 363 C ARG A 28 -23.242 -16.495 16.999 1.00 0.00 C ATOM 364 O ARG A 28 -24.051 -15.569 16.943 1.00 0.00 O ATOM 365 CB ARG A 28 -22.633 -16.984 19.375 1.00 0.00 C ATOM 366 CG ARG A 28 -21.616 -16.873 20.499 1.00 0.00 C ATOM 367 CD ARG A 28 -22.263 -17.079 21.859 1.00 0.00 C ATOM 368 NE ARG A 28 -22.511 -15.814 22.545 1.00 0.00 N ATOM 369 CZ ARG A 28 -23.063 -15.727 23.750 1.00 0.00 C ATOM 370 NH1 ARG A 28 -23.423 -16.826 24.399 1.00 0.00 N ATOM 371 NH2 ARG A 28 -23.256 -14.539 24.309 1.00 0.00 N ATOM 0 H ARG A 28 -22.238 -14.410 18.295 1.00 0.00 H new ATOM 0 HA ARG A 28 -21.324 -17.154 17.680 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -23.523 -16.415 19.644 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -22.939 -18.025 19.275 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -20.829 -17.613 20.353 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -21.141 -15.892 20.466 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -23.204 -17.615 21.735 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -21.619 -17.705 22.476 1.00 0.00 H new ATOM 0 HE ARG A 28 -22.246 -14.950 22.073 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -23.276 -17.741 23.973 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -23.847 -16.756 25.324 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -22.980 -13.691 23.813 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -23.680 -14.474 25.234 1.00 0.00 H new ATOM 385 N ALA A 29 -23.289 -17.547 16.188 1.00 0.00 N ATOM 386 CA ALA A 29 -24.319 -17.677 15.165 1.00 0.00 C ATOM 387 C ALA A 29 -25.712 -17.693 15.786 1.00 0.00 C ATOM 388 O ALA A 29 -26.045 -18.585 16.564 1.00 0.00 O ATOM 389 CB ALA A 29 -24.091 -18.938 14.344 1.00 0.00 C ATOM 0 H ALA A 29 -22.626 -18.321 16.220 1.00 0.00 H new ATOM 0 HA ALA A 29 -24.253 -16.811 14.507 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -24.868 -19.023 13.584 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -23.115 -18.887 13.862 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -24.127 -19.809 14.998 1.00 0.00 H new ATOM 395 N GLY A 30 -26.522 -16.698 15.437 1.00 0.00 N ATOM 396 CA GLY A 30 -27.869 -16.616 15.970 1.00 0.00 C ATOM 397 C GLY A 30 -28.081 -15.381 16.823 1.00 0.00 C ATOM 398 O GLY A 30 -29.217 -14.993 17.092 1.00 0.00 O ATOM 0 H GLY A 30 -26.269 -15.947 14.795 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -28.583 -16.612 15.146 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -28.075 -17.505 16.566 1.00 0.00 H new ATOM 402 N GLN A 31 -26.984 -14.763 17.249 1.00 0.00 N ATOM 403 CA GLN A 31 -27.056 -13.565 18.079 1.00 0.00 C ATOM 404 C GLN A 31 -26.745 -12.317 17.260 1.00 0.00 C ATOM 405 O GLN A 31 -26.019 -12.377 16.268 1.00 0.00 O ATOM 406 CB GLN A 31 -26.084 -13.675 19.255 1.00 0.00 C ATOM 407 CG GLN A 31 -24.707 -13.102 18.960 1.00 0.00 C ATOM 408 CD GLN A 31 -23.751 -13.252 20.128 1.00 0.00 C ATOM 409 OE1 GLN A 31 -23.052 -14.258 20.248 1.00 0.00 O ATOM 410 NE2 GLN A 31 -23.716 -12.248 20.996 1.00 0.00 N ATOM 0 H GLN A 31 -26.036 -15.071 17.034 1.00 0.00 H new ATOM 0 HA GLN A 31 -28.072 -13.480 18.464 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -26.507 -13.157 20.116 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -25.980 -14.724 19.533 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -24.289 -13.602 18.086 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -24.803 -12.046 18.707 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -24.313 -11.433 20.857 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -23.092 -12.292 21.802 1.00 0.00 H new ATOM 419 N THR A 32 -27.299 -11.185 17.683 1.00 0.00 N ATOM 420 CA THR A 32 -27.082 -9.922 16.989 1.00 0.00 C ATOM 421 C THR A 32 -25.994 -9.100 17.670 1.00 0.00 C ATOM 422 O THR A 32 -25.905 -9.065 18.898 1.00 0.00 O ATOM 423 CB THR A 32 -28.375 -9.087 16.923 1.00 0.00 C ATOM 424 OG1 THR A 32 -29.491 -9.935 16.634 1.00 0.00 O ATOM 425 CG2 THR A 32 -28.266 -8.003 15.862 1.00 0.00 C ATOM 0 H THR A 32 -27.902 -11.117 18.503 1.00 0.00 H new ATOM 0 HA THR A 32 -26.766 -10.169 15.975 1.00 0.00 H new ATOM 0 HB THR A 32 -28.523 -8.610 17.892 1.00 0.00 H new ATOM 0 HG1 THR A 32 -30.309 -9.397 16.595 1.00 0.00 H new ATOM 0 HG21 THR A 32 -29.191 -7.427 15.834 1.00 0.00 H new ATOM 0 HG22 THR A 32 -27.433 -7.342 16.102 1.00 0.00 H new ATOM 0 HG23 THR A 32 -28.095 -8.463 14.888 1.00 0.00 H new ATOM 433 N VAL A 33 -25.167 -8.438 16.867 1.00 0.00 N ATOM 434 CA VAL A 33 -24.086 -7.614 17.393 1.00 0.00 C ATOM 435 C VAL A 33 -23.809 -6.423 16.482 1.00 0.00 C ATOM 436 O VAL A 33 -24.224 -6.405 15.323 1.00 0.00 O ATOM 437 CB VAL A 33 -22.790 -8.429 17.560 1.00 0.00 C ATOM 438 CG1 VAL A 33 -23.044 -9.670 18.403 1.00 0.00 C ATOM 439 CG2 VAL A 33 -22.218 -8.806 16.202 1.00 0.00 C ATOM 0 H VAL A 33 -25.225 -8.457 15.849 1.00 0.00 H new ATOM 0 HA VAL A 33 -24.409 -7.254 18.370 1.00 0.00 H new ATOM 0 HB VAL A 33 -22.057 -7.810 18.078 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -22.117 -10.233 18.510 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -23.404 -9.373 19.388 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -23.793 -10.294 17.916 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -21.303 -9.381 16.340 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -22.945 -9.406 15.655 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -21.996 -7.901 15.637 1.00 0.00 H new ATOM 449 N SER A 34 -23.106 -5.429 17.015 1.00 0.00 N ATOM 450 CA SER A 34 -22.777 -4.231 16.251 1.00 0.00 C ATOM 451 C SER A 34 -21.270 -4.116 16.044 1.00 0.00 C ATOM 452 O SER A 34 -20.495 -4.169 16.999 1.00 0.00 O ATOM 453 CB SER A 34 -23.302 -2.984 16.966 1.00 0.00 C ATOM 454 OG SER A 34 -24.676 -2.778 16.688 1.00 0.00 O ATOM 0 H SER A 34 -22.753 -5.429 17.972 1.00 0.00 H new ATOM 0 HA SER A 34 -23.255 -4.310 15.275 1.00 0.00 H new ATOM 0 HB2 SER A 34 -23.157 -3.089 18.041 1.00 0.00 H new ATOM 0 HB3 SER A 34 -22.729 -2.112 16.651 1.00 0.00 H new ATOM 0 HG SER A 34 -24.988 -1.976 17.158 1.00 0.00 H new ATOM 460 N VAL A 35 -20.861 -3.958 14.789 1.00 0.00 N ATOM 461 CA VAL A 35 -19.447 -3.834 14.455 1.00 0.00 C ATOM 462 C VAL A 35 -19.237 -2.851 13.309 1.00 0.00 C ATOM 463 O VAL A 35 -20.182 -2.487 12.608 1.00 0.00 O ATOM 464 CB VAL A 35 -18.841 -5.195 14.067 1.00 0.00 C ATOM 465 CG1 VAL A 35 -19.277 -6.274 15.047 1.00 0.00 C ATOM 466 CG2 VAL A 35 -19.233 -5.566 12.645 1.00 0.00 C ATOM 0 H VAL A 35 -21.489 -3.913 13.987 1.00 0.00 H new ATOM 0 HA VAL A 35 -18.943 -3.461 15.346 1.00 0.00 H new ATOM 0 HB VAL A 35 -17.755 -5.115 14.112 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -18.839 -7.229 14.756 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -18.941 -6.011 16.050 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -20.364 -6.356 15.038 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -18.796 -6.531 12.387 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -20.319 -5.628 12.571 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -18.865 -4.805 11.956 1.00 0.00 H new ATOM 476 N HIS A 36 -17.992 -2.423 13.124 1.00 0.00 N ATOM 477 CA HIS A 36 -17.657 -1.482 12.062 1.00 0.00 C ATOM 478 C HIS A 36 -16.707 -2.118 11.052 1.00 0.00 C ATOM 479 O HIS A 36 -15.712 -2.739 11.427 1.00 0.00 O ATOM 480 CB HIS A 36 -17.025 -0.220 12.650 1.00 0.00 C ATOM 481 CG HIS A 36 -17.975 0.934 12.753 1.00 0.00 C ATOM 482 ND1 HIS A 36 -18.273 1.745 13.795 1.00 0.00 N flip ATOM 483 CD2 HIS A 36 -18.751 1.366 11.699 1.00 0.00 C flip ATOM 484 CE1 HIS A 36 -19.212 2.644 13.355 1.00 0.00 C flip ATOM 485 NE2 HIS A 36 -19.483 2.395 12.087 1.00 0.00 N flip ATOM 0 H HIS A 36 -17.199 -2.713 13.696 1.00 0.00 H new ATOM 0 HA HIS A 36 -18.579 -1.211 11.547 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -16.634 -0.448 13.642 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -16.176 0.073 12.032 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -18.759 0.931 10.710 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -19.657 3.428 13.950 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -20.145 2.910 11.506 1.00 0.00 H new ATOM 493 N TYR A 37 -17.020 -1.960 9.771 1.00 0.00 N ATOM 494 CA TYR A 37 -16.196 -2.521 8.707 1.00 0.00 C ATOM 495 C TYR A 37 -15.600 -1.417 7.839 1.00 0.00 C ATOM 496 O TYR A 37 -16.306 -0.514 7.390 1.00 0.00 O ATOM 497 CB TYR A 37 -17.022 -3.475 7.843 1.00 0.00 C ATOM 498 CG TYR A 37 -18.087 -2.781 7.023 1.00 0.00 C ATOM 499 CD1 TYR A 37 -19.317 -2.454 7.580 1.00 0.00 C ATOM 500 CD2 TYR A 37 -17.862 -2.451 5.693 1.00 0.00 C ATOM 501 CE1 TYR A 37 -20.293 -1.821 6.835 1.00 0.00 C ATOM 502 CE2 TYR A 37 -18.831 -1.816 4.940 1.00 0.00 C ATOM 503 CZ TYR A 37 -20.045 -1.504 5.516 1.00 0.00 C ATOM 504 OH TYR A 37 -21.014 -0.872 4.771 1.00 0.00 O ATOM 0 H TYR A 37 -17.839 -1.448 9.444 1.00 0.00 H new ATOM 0 HA TYR A 37 -15.379 -3.075 9.169 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -16.354 -4.015 7.173 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -17.496 -4.216 8.486 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -19.514 -2.699 8.613 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -16.913 -2.695 5.239 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -21.245 -1.576 7.283 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -18.639 -1.566 3.907 1.00 0.00 H new ATOM 0 HH TYR A 37 -20.680 -0.719 3.862 1.00 0.00 H new ATOM 514 N THR A 38 -14.293 -1.497 7.607 1.00 0.00 N ATOM 515 CA THR A 38 -13.600 -0.506 6.794 1.00 0.00 C ATOM 516 C THR A 38 -12.939 -1.153 5.582 1.00 0.00 C ATOM 517 O THR A 38 -11.988 -1.921 5.718 1.00 0.00 O ATOM 518 CB THR A 38 -12.528 0.241 7.611 1.00 0.00 C ATOM 519 OG1 THR A 38 -12.672 -0.064 9.003 1.00 0.00 O ATOM 520 CG2 THR A 38 -12.637 1.744 7.402 1.00 0.00 C ATOM 0 H THR A 38 -13.694 -2.238 7.971 1.00 0.00 H new ATOM 0 HA THR A 38 -14.352 0.207 6.457 1.00 0.00 H new ATOM 0 HB THR A 38 -11.547 -0.087 7.267 1.00 0.00 H new ATOM 0 HG1 THR A 38 -11.986 0.413 9.515 1.00 0.00 H new ATOM 0 HG21 THR A 38 -11.870 2.250 7.989 1.00 0.00 H new ATOM 0 HG22 THR A 38 -12.497 1.976 6.346 1.00 0.00 H new ATOM 0 HG23 THR A 38 -13.622 2.085 7.721 1.00 0.00 H new ATOM 528 N GLY A 39 -13.450 -0.837 4.396 1.00 0.00 N ATOM 529 CA GLY A 39 -12.897 -1.397 3.177 1.00 0.00 C ATOM 530 C GLY A 39 -11.526 -0.838 2.853 1.00 0.00 C ATOM 531 O GLY A 39 -11.400 0.315 2.439 1.00 0.00 O ATOM 0 H GLY A 39 -14.237 -0.203 4.258 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -12.830 -2.480 3.276 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -13.574 -1.194 2.347 1.00 0.00 H new ATOM 535 N TRP A 40 -10.496 -1.655 3.042 1.00 0.00 N ATOM 536 CA TRP A 40 -9.126 -1.234 2.769 1.00 0.00 C ATOM 537 C TRP A 40 -8.517 -2.062 1.643 1.00 0.00 C ATOM 538 O TRP A 40 -8.911 -3.207 1.418 1.00 0.00 O ATOM 539 CB TRP A 40 -8.271 -1.359 4.031 1.00 0.00 C ATOM 540 CG TRP A 40 -8.716 -0.456 5.141 1.00 0.00 C ATOM 541 CD1 TRP A 40 -9.566 0.608 5.042 1.00 0.00 C ATOM 542 CD2 TRP A 40 -8.330 -0.538 6.518 1.00 0.00 C ATOM 543 NE1 TRP A 40 -9.733 1.193 6.274 1.00 0.00 N ATOM 544 CE2 TRP A 40 -8.986 0.508 7.196 1.00 0.00 C ATOM 545 CE3 TRP A 40 -7.498 -1.393 7.244 1.00 0.00 C ATOM 546 CZ2 TRP A 40 -8.832 0.720 8.564 1.00 0.00 C ATOM 547 CZ3 TRP A 40 -7.345 -1.182 8.601 1.00 0.00 C ATOM 548 CH2 TRP A 40 -8.011 -0.133 9.250 1.00 0.00 C ATOM 0 H TRP A 40 -10.583 -2.612 3.383 1.00 0.00 H new ATOM 0 HA TRP A 40 -9.148 -0.190 2.456 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -8.298 -2.392 4.379 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -7.234 -1.134 3.783 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -10.038 0.941 4.129 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -10.318 2.005 6.470 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -6.983 -2.205 6.753 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -9.342 1.529 9.065 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -6.702 -1.836 9.171 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -7.873 0.005 10.312 1.00 0.00 H new ATOM 559 N LEU A 41 -7.555 -1.477 0.938 1.00 0.00 N ATOM 560 CA LEU A 41 -6.891 -2.162 -0.165 1.00 0.00 C ATOM 561 C LEU A 41 -5.631 -2.876 0.316 1.00 0.00 C ATOM 562 O LEU A 41 -5.012 -2.471 1.300 1.00 0.00 O ATOM 563 CB LEU A 41 -6.535 -1.166 -1.270 1.00 0.00 C ATOM 564 CG LEU A 41 -7.660 -0.815 -2.245 1.00 0.00 C ATOM 565 CD1 LEU A 41 -7.401 0.535 -2.895 1.00 0.00 C ATOM 566 CD2 LEU A 41 -7.807 -1.899 -3.302 1.00 0.00 C ATOM 0 H LEU A 41 -7.218 -0.530 1.111 1.00 0.00 H new ATOM 0 HA LEU A 41 -7.579 -2.907 -0.564 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -6.186 -0.245 -0.803 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -5.699 -1.571 -1.841 1.00 0.00 H new ATOM 0 HG LEU A 41 -8.593 -0.752 -1.686 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -8.212 0.768 -3.585 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -7.347 1.305 -2.125 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -6.458 0.501 -3.441 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -8.612 -1.633 -3.987 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.874 -1.994 -3.858 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -8.040 -2.848 -2.820 1.00 0.00 H new ATOM 578 N THR A 42 -5.256 -3.941 -0.387 1.00 0.00 N ATOM 579 CA THR A 42 -4.070 -4.710 -0.032 1.00 0.00 C ATOM 580 C THR A 42 -2.826 -3.830 -0.022 1.00 0.00 C ATOM 581 O THR A 42 -1.817 -4.171 0.596 1.00 0.00 O ATOM 582 CB THR A 42 -3.849 -5.882 -1.008 1.00 0.00 C ATOM 583 OG1 THR A 42 -3.363 -5.390 -2.262 1.00 0.00 O ATOM 584 CG2 THR A 42 -5.140 -6.655 -1.227 1.00 0.00 C ATOM 0 H THR A 42 -5.756 -4.290 -1.205 1.00 0.00 H new ATOM 0 HA THR A 42 -4.238 -5.107 0.969 1.00 0.00 H new ATOM 0 HB THR A 42 -3.111 -6.555 -0.571 1.00 0.00 H new ATOM 0 HG1 THR A 42 -3.223 -6.141 -2.876 1.00 0.00 H new ATOM 0 HG21 THR A 42 -4.959 -7.477 -1.919 1.00 0.00 H new ATOM 0 HG22 THR A 42 -5.492 -7.053 -0.275 1.00 0.00 H new ATOM 0 HG23 THR A 42 -5.896 -5.990 -1.644 1.00 0.00 H new ATOM 592 N ASP A 43 -2.904 -2.696 -0.710 1.00 0.00 N ATOM 593 CA ASP A 43 -1.783 -1.765 -0.779 1.00 0.00 C ATOM 594 C ASP A 43 -1.646 -0.984 0.524 1.00 0.00 C ATOM 595 O ASP A 43 -0.587 -0.429 0.818 1.00 0.00 O ATOM 596 CB ASP A 43 -1.967 -0.799 -1.951 1.00 0.00 C ATOM 597 CG ASP A 43 -0.653 -0.213 -2.429 1.00 0.00 C ATOM 598 OD1 ASP A 43 0.383 -0.899 -2.304 1.00 0.00 O ATOM 599 OD2 ASP A 43 -0.660 0.932 -2.927 1.00 0.00 O ATOM 0 H ASP A 43 -3.731 -2.399 -1.228 1.00 0.00 H new ATOM 0 HA ASP A 43 -0.871 -2.342 -0.934 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -2.450 -1.322 -2.777 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -2.634 0.009 -1.651 1.00 0.00 H new ATOM 604 N GLY A 44 -2.724 -0.943 1.301 1.00 0.00 N ATOM 605 CA GLY A 44 -2.702 -0.226 2.563 1.00 0.00 C ATOM 606 C GLY A 44 -3.504 1.059 2.512 1.00 0.00 C ATOM 607 O GLY A 44 -3.510 1.832 3.471 1.00 0.00 O ATOM 0 H GLY A 44 -3.612 -1.393 1.079 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -3.099 -0.868 3.349 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -1.670 0.003 2.829 1.00 0.00 H new ATOM 611 N GLN A 45 -4.180 1.290 1.392 1.00 0.00 N ATOM 612 CA GLN A 45 -4.986 2.493 1.220 1.00 0.00 C ATOM 613 C GLN A 45 -6.472 2.177 1.358 1.00 0.00 C ATOM 614 O GLN A 45 -6.963 1.197 0.799 1.00 0.00 O ATOM 615 CB GLN A 45 -4.712 3.126 -0.145 1.00 0.00 C ATOM 616 CG GLN A 45 -5.100 2.238 -1.316 1.00 0.00 C ATOM 617 CD GLN A 45 -4.353 2.590 -2.588 1.00 0.00 C ATOM 618 OE1 GLN A 45 -4.962 2.856 -3.625 1.00 0.00 O ATOM 619 NE2 GLN A 45 -3.028 2.595 -2.515 1.00 0.00 N ATOM 0 H GLN A 45 -4.186 0.660 0.590 1.00 0.00 H new ATOM 0 HA GLN A 45 -4.709 3.200 2.002 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -5.258 4.067 -0.216 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -3.652 3.367 -0.218 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -4.902 1.197 -1.059 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -6.172 2.324 -1.493 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -2.565 2.368 -1.635 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -2.473 2.826 -3.339 1.00 0.00 H new ATOM 628 N LYS A 46 -7.182 3.014 2.106 1.00 0.00 N ATOM 629 CA LYS A 46 -8.613 2.826 2.318 1.00 0.00 C ATOM 630 C LYS A 46 -9.411 3.328 1.119 1.00 0.00 C ATOM 631 O LYS A 46 -9.025 4.298 0.466 1.00 0.00 O ATOM 632 CB LYS A 46 -9.062 3.556 3.585 1.00 0.00 C ATOM 633 CG LYS A 46 -10.571 3.613 3.752 1.00 0.00 C ATOM 634 CD LYS A 46 -10.961 4.118 5.131 1.00 0.00 C ATOM 635 CE LYS A 46 -11.128 5.630 5.144 1.00 0.00 C ATOM 636 NZ LYS A 46 -9.835 6.329 5.382 1.00 0.00 N ATOM 0 H LYS A 46 -6.790 3.830 2.576 1.00 0.00 H new ATOM 0 HA LYS A 46 -8.800 1.759 2.436 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -8.627 3.060 4.453 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -8.668 4.572 3.568 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -10.998 4.266 2.990 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -10.993 2.621 3.594 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -11.892 3.645 5.443 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -10.199 3.829 5.855 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -11.548 5.957 4.193 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -11.840 5.910 5.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -10.019 7.278 5.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -9.266 5.785 6.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -9.315 6.413 4.485 1.00 0.00 H new ATOM 650 N PHE A 47 -10.525 2.662 0.835 1.00 0.00 N ATOM 651 CA PHE A 47 -11.378 3.042 -0.285 1.00 0.00 C ATOM 652 C PHE A 47 -12.851 2.844 0.061 1.00 0.00 C ATOM 653 O PHE A 47 -13.713 2.856 -0.817 1.00 0.00 O ATOM 654 CB PHE A 47 -11.020 2.222 -1.527 1.00 0.00 C ATOM 655 CG PHE A 47 -11.490 0.797 -1.460 1.00 0.00 C ATOM 656 CD1 PHE A 47 -10.872 -0.112 -0.615 1.00 0.00 C ATOM 657 CD2 PHE A 47 -12.549 0.365 -2.242 1.00 0.00 C ATOM 658 CE1 PHE A 47 -11.302 -1.424 -0.551 1.00 0.00 C ATOM 659 CE2 PHE A 47 -12.984 -0.946 -2.181 1.00 0.00 C ATOM 660 CZ PHE A 47 -12.359 -1.841 -1.336 1.00 0.00 C ATOM 0 H PHE A 47 -10.858 1.857 1.365 1.00 0.00 H new ATOM 0 HA PHE A 47 -11.211 4.099 -0.494 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -11.455 2.699 -2.405 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -9.938 2.234 -1.661 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -10.045 0.209 0.001 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -13.040 1.060 -2.907 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -10.812 -2.122 0.112 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -13.812 -1.270 -2.794 1.00 0.00 H new ATOM 0 HZ PHE A 47 -12.696 -2.866 -1.289 1.00 0.00 H new ATOM 670 N ASP A 48 -13.131 2.663 1.347 1.00 0.00 N ATOM 671 CA ASP A 48 -14.499 2.464 1.811 1.00 0.00 C ATOM 672 C ASP A 48 -14.569 2.517 3.334 1.00 0.00 C ATOM 673 O ASP A 48 -13.839 1.806 4.024 1.00 0.00 O ATOM 674 CB ASP A 48 -15.040 1.124 1.310 1.00 0.00 C ATOM 675 CG ASP A 48 -16.522 1.180 0.994 1.00 0.00 C ATOM 676 OD1 ASP A 48 -16.908 1.957 0.095 1.00 0.00 O ATOM 677 OD2 ASP A 48 -17.296 0.449 1.646 1.00 0.00 O ATOM 0 H ASP A 48 -12.429 2.650 2.087 1.00 0.00 H new ATOM 0 HA ASP A 48 -15.114 3.269 1.408 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -14.492 0.825 0.416 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -14.861 0.358 2.065 1.00 0.00 H new ATOM 682 N SER A 49 -15.452 3.365 3.852 1.00 0.00 N ATOM 683 CA SER A 49 -15.614 3.515 5.293 1.00 0.00 C ATOM 684 C SER A 49 -17.091 3.588 5.669 1.00 0.00 C ATOM 685 O SER A 49 -17.906 4.134 4.925 1.00 0.00 O ATOM 686 CB SER A 49 -14.889 4.770 5.782 1.00 0.00 C ATOM 687 OG SER A 49 -14.971 5.812 4.825 1.00 0.00 O ATOM 0 H SER A 49 -16.066 3.959 3.295 1.00 0.00 H new ATOM 0 HA SER A 49 -15.177 2.641 5.775 1.00 0.00 H new ATOM 0 HB2 SER A 49 -15.325 5.102 6.724 1.00 0.00 H new ATOM 0 HB3 SER A 49 -13.843 4.536 5.980 1.00 0.00 H new ATOM 0 HG SER A 49 -14.501 6.603 5.162 1.00 0.00 H new ATOM 693 N SER A 50 -17.428 3.034 6.829 1.00 0.00 N ATOM 694 CA SER A 50 -18.807 3.032 7.303 1.00 0.00 C ATOM 695 C SER A 50 -19.264 4.446 7.650 1.00 0.00 C ATOM 696 O SER A 50 -20.454 4.697 7.844 1.00 0.00 O ATOM 697 CB SER A 50 -18.947 2.124 8.527 1.00 0.00 C ATOM 698 OG SER A 50 -20.281 2.113 9.004 1.00 0.00 O ATOM 0 H SER A 50 -16.765 2.581 7.458 1.00 0.00 H new ATOM 0 HA SER A 50 -19.440 2.650 6.502 1.00 0.00 H new ATOM 0 HB2 SER A 50 -18.642 1.110 8.268 1.00 0.00 H new ATOM 0 HB3 SER A 50 -18.278 2.467 9.316 1.00 0.00 H new ATOM 0 HG SER A 50 -20.691 2.989 8.848 1.00 0.00 H new ATOM 776 N ASP A 55 -22.765 5.213 11.329 1.00 0.00 N ATOM 777 CA ASP A 55 -23.474 4.300 12.218 1.00 0.00 C ATOM 778 C ASP A 55 -22.859 2.905 12.167 1.00 0.00 C ATOM 779 O ASP A 55 -22.400 2.440 11.124 1.00 0.00 O ATOM 780 CB ASP A 55 -24.954 4.232 11.839 1.00 0.00 C ATOM 781 CG ASP A 55 -25.597 2.922 12.247 1.00 0.00 C ATOM 782 OD1 ASP A 55 -25.389 1.913 11.542 1.00 0.00 O ATOM 783 OD2 ASP A 55 -26.308 2.905 13.274 1.00 0.00 O ATOM 0 HA ASP A 55 -23.384 4.680 13.236 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -25.486 5.057 12.313 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -25.056 4.364 10.762 1.00 0.00 H new ATOM 788 N PRO A 56 -22.848 2.221 13.321 1.00 0.00 N ATOM 789 CA PRO A 56 -22.291 0.869 13.434 1.00 0.00 C ATOM 790 C PRO A 56 -23.142 -0.170 12.712 1.00 0.00 C ATOM 791 O PRO A 56 -24.371 -0.127 12.766 1.00 0.00 O ATOM 792 CB PRO A 56 -22.295 0.609 14.942 1.00 0.00 C ATOM 793 CG PRO A 56 -23.373 1.489 15.476 1.00 0.00 C ATOM 794 CD PRO A 56 -23.377 2.713 14.603 1.00 0.00 C ATOM 0 HA PRO A 56 -21.304 0.795 12.978 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -22.495 -0.440 15.162 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -21.330 0.850 15.388 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -24.339 0.985 15.446 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -23.183 1.752 16.517 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -24.380 3.124 14.492 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -22.753 3.504 15.018 1.00 0.00 H new ATOM 802 N PHE A 57 -22.480 -1.104 12.037 1.00 0.00 N ATOM 803 CA PHE A 57 -23.176 -2.155 11.304 1.00 0.00 C ATOM 804 C PHE A 57 -23.680 -3.238 12.253 1.00 0.00 C ATOM 805 O PHE A 57 -22.917 -4.096 12.695 1.00 0.00 O ATOM 806 CB PHE A 57 -22.251 -2.772 10.253 1.00 0.00 C ATOM 807 CG PHE A 57 -22.976 -3.280 9.040 1.00 0.00 C ATOM 808 CD1 PHE A 57 -23.662 -2.407 8.210 1.00 0.00 C ATOM 809 CD2 PHE A 57 -22.973 -4.630 8.729 1.00 0.00 C ATOM 810 CE1 PHE A 57 -24.330 -2.871 7.093 1.00 0.00 C ATOM 811 CE2 PHE A 57 -23.638 -5.100 7.612 1.00 0.00 C ATOM 812 CZ PHE A 57 -24.319 -4.219 6.794 1.00 0.00 C ATOM 0 H PHE A 57 -21.463 -1.154 11.982 1.00 0.00 H new ATOM 0 HA PHE A 57 -24.035 -1.707 10.804 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -21.519 -2.027 9.943 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -21.697 -3.594 10.706 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -23.674 -1.352 8.439 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -22.445 -5.323 9.367 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -24.860 -2.180 6.454 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -23.625 -6.154 7.379 1.00 0.00 H new ATOM 0 HZ PHE A 57 -24.842 -4.584 5.922 1.00 0.00 H new ATOM 822 N ALA A 58 -24.972 -3.191 12.563 1.00 0.00 N ATOM 823 CA ALA A 58 -25.579 -4.168 13.458 1.00 0.00 C ATOM 824 C ALA A 58 -26.381 -5.204 12.677 1.00 0.00 C ATOM 825 O ALA A 58 -27.134 -4.863 11.765 1.00 0.00 O ATOM 826 CB ALA A 58 -26.467 -3.470 14.477 1.00 0.00 C ATOM 0 H ALA A 58 -25.618 -2.486 12.207 1.00 0.00 H new ATOM 0 HA ALA A 58 -24.779 -4.688 13.985 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -26.914 -4.212 15.139 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -25.869 -2.773 15.064 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -27.256 -2.924 13.959 1.00 0.00 H new ATOM 832 N PHE A 59 -26.214 -6.471 13.041 1.00 0.00 N ATOM 833 CA PHE A 59 -26.921 -7.558 12.373 1.00 0.00 C ATOM 834 C PHE A 59 -26.741 -8.870 13.131 1.00 0.00 C ATOM 835 O PHE A 59 -26.088 -8.914 14.173 1.00 0.00 O ATOM 836 CB PHE A 59 -26.421 -7.713 10.936 1.00 0.00 C ATOM 837 CG PHE A 59 -25.112 -8.442 10.832 1.00 0.00 C ATOM 838 CD1 PHE A 59 -23.940 -7.858 11.285 1.00 0.00 C ATOM 839 CD2 PHE A 59 -25.054 -9.712 10.281 1.00 0.00 C ATOM 840 CE1 PHE A 59 -22.735 -8.527 11.190 1.00 0.00 C ATOM 841 CE2 PHE A 59 -23.851 -10.386 10.183 1.00 0.00 C ATOM 842 CZ PHE A 59 -22.690 -9.793 10.639 1.00 0.00 C ATOM 0 H PHE A 59 -25.595 -6.771 13.795 1.00 0.00 H new ATOM 0 HA PHE A 59 -27.983 -7.311 12.356 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -27.172 -8.247 10.354 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -26.314 -6.725 10.488 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -23.969 -6.869 11.717 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -25.959 -10.181 9.924 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -21.829 -8.060 11.546 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -23.819 -11.375 9.750 1.00 0.00 H new ATOM 0 HZ PHE A 59 -21.749 -10.318 10.565 1.00 0.00 H new ATOM 852 N VAL A 60 -27.326 -9.939 12.598 1.00 0.00 N ATOM 853 CA VAL A 60 -27.231 -11.253 13.222 1.00 0.00 C ATOM 854 C VAL A 60 -26.168 -12.108 12.543 1.00 0.00 C ATOM 855 O VAL A 60 -26.118 -12.197 11.315 1.00 0.00 O ATOM 856 CB VAL A 60 -28.579 -11.996 13.175 1.00 0.00 C ATOM 857 CG1 VAL A 60 -28.992 -12.262 11.735 1.00 0.00 C ATOM 858 CG2 VAL A 60 -28.500 -13.294 13.964 1.00 0.00 C ATOM 0 H VAL A 60 -27.870 -9.920 11.736 1.00 0.00 H new ATOM 0 HA VAL A 60 -26.951 -11.089 14.263 1.00 0.00 H new ATOM 0 HB VAL A 60 -29.339 -11.364 13.635 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -29.947 -12.788 11.722 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -29.092 -11.315 11.204 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -28.234 -12.874 11.246 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -29.461 -13.806 13.920 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -27.728 -13.934 13.536 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -28.253 -13.074 15.003 1.00 0.00 H new ATOM 868 N LEU A 61 -25.318 -12.736 13.348 1.00 0.00 N ATOM 869 CA LEU A 61 -24.255 -13.587 12.825 1.00 0.00 C ATOM 870 C LEU A 61 -24.818 -14.905 12.304 1.00 0.00 C ATOM 871 O LEU A 61 -25.628 -15.551 12.968 1.00 0.00 O ATOM 872 CB LEU A 61 -23.211 -13.857 13.910 1.00 0.00 C ATOM 873 CG LEU A 61 -22.241 -15.008 13.636 1.00 0.00 C ATOM 874 CD1 LEU A 61 -21.458 -14.753 12.358 1.00 0.00 C ATOM 875 CD2 LEU A 61 -21.296 -15.199 14.813 1.00 0.00 C ATOM 0 H LEU A 61 -25.344 -12.672 14.366 1.00 0.00 H new ATOM 0 HA LEU A 61 -23.780 -13.064 11.995 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -22.630 -12.947 14.062 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -23.732 -14.062 14.845 1.00 0.00 H new ATOM 0 HG LEU A 61 -22.819 -15.923 13.507 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -20.773 -15.582 12.179 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -22.149 -14.666 11.519 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -20.890 -13.828 12.458 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -20.613 -16.022 14.601 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -20.724 -14.285 14.973 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -21.873 -15.428 15.709 1.00 0.00 H new ATOM 887 N GLY A 62 -24.381 -15.300 11.112 1.00 0.00 N ATOM 888 CA GLY A 62 -24.850 -16.541 10.524 1.00 0.00 C ATOM 889 C GLY A 62 -26.153 -16.368 9.768 1.00 0.00 C ATOM 890 O GLY A 62 -26.691 -17.327 9.217 1.00 0.00 O ATOM 0 H GLY A 62 -23.711 -14.783 10.543 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -24.089 -16.929 9.847 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -24.985 -17.284 11.310 1.00 0.00 H new ATOM 894 N GLY A 63 -26.662 -15.140 9.743 1.00 0.00 N ATOM 895 CA GLY A 63 -27.907 -14.867 9.048 1.00 0.00 C ATOM 896 C GLY A 63 -27.877 -15.327 7.604 1.00 0.00 C ATOM 897 O GLY A 63 -28.721 -16.113 7.178 1.00 0.00 O ATOM 0 H GLY A 63 -26.235 -14.330 10.191 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -28.726 -15.364 9.568 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -28.111 -13.797 9.081 1.00 0.00 H new ATOM 901 N GLY A 64 -26.902 -14.833 6.847 1.00 0.00 N ATOM 902 CA GLY A 64 -26.785 -15.207 5.450 1.00 0.00 C ATOM 903 C GLY A 64 -27.036 -14.041 4.514 1.00 0.00 C ATOM 904 O GLY A 64 -27.872 -14.127 3.616 1.00 0.00 O ATOM 0 H GLY A 64 -26.191 -14.180 7.177 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -25.788 -15.608 5.267 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -27.495 -16.005 5.230 1.00 0.00 H new ATOM 908 N MET A 65 -26.310 -12.948 4.726 1.00 0.00 N ATOM 909 CA MET A 65 -26.459 -11.760 3.894 1.00 0.00 C ATOM 910 C MET A 65 -25.115 -11.069 3.687 1.00 0.00 C ATOM 911 O MET A 65 -25.058 -9.873 3.401 1.00 0.00 O ATOM 912 CB MET A 65 -27.453 -10.787 4.531 1.00 0.00 C ATOM 913 CG MET A 65 -28.905 -11.206 4.366 1.00 0.00 C ATOM 914 SD MET A 65 -29.992 -10.443 5.586 1.00 0.00 S ATOM 915 CE MET A 65 -31.292 -9.809 4.531 1.00 0.00 C ATOM 0 H MET A 65 -25.613 -12.861 5.466 1.00 0.00 H new ATOM 0 HA MET A 65 -26.840 -12.073 2.922 1.00 0.00 H new ATOM 0 HB2 MET A 65 -27.229 -10.695 5.594 1.00 0.00 H new ATOM 0 HB3 MET A 65 -27.316 -9.800 4.090 1.00 0.00 H new ATOM 0 HG2 MET A 65 -29.245 -10.939 3.365 1.00 0.00 H new ATOM 0 HG3 MET A 65 -28.978 -12.290 4.448 1.00 0.00 H new ATOM 0 HE1 MET A 65 -32.043 -9.307 5.141 1.00 0.00 H new ATOM 0 HE2 MET A 65 -30.870 -9.100 3.819 1.00 0.00 H new ATOM 0 HE3 MET A 65 -31.756 -10.634 3.989 1.00 0.00 H new ATOM 925 N VAL A 66 -24.035 -11.829 3.834 1.00 0.00 N ATOM 926 CA VAL A 66 -22.691 -11.290 3.662 1.00 0.00 C ATOM 927 C VAL A 66 -21.778 -12.299 2.975 1.00 0.00 C ATOM 928 O VAL A 66 -21.988 -13.508 3.071 1.00 0.00 O ATOM 929 CB VAL A 66 -22.070 -10.889 5.014 1.00 0.00 C ATOM 930 CG1 VAL A 66 -23.003 -9.960 5.776 1.00 0.00 C ATOM 931 CG2 VAL A 66 -21.746 -12.126 5.838 1.00 0.00 C ATOM 0 H VAL A 66 -24.064 -12.820 4.072 1.00 0.00 H new ATOM 0 HA VAL A 66 -22.783 -10.403 3.036 1.00 0.00 H new ATOM 0 HB VAL A 66 -21.140 -10.353 4.823 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -22.547 -9.688 6.728 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -23.180 -9.060 5.188 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -23.951 -10.466 5.959 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -21.308 -11.825 6.790 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -22.660 -12.691 6.022 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -21.037 -12.750 5.294 1.00 0.00 H new ATOM 941 N ILE A 67 -20.763 -11.794 2.282 1.00 0.00 N ATOM 942 CA ILE A 67 -19.816 -12.651 1.580 1.00 0.00 C ATOM 943 C ILE A 67 -19.166 -13.648 2.533 1.00 0.00 C ATOM 944 O ILE A 67 -19.098 -13.416 3.740 1.00 0.00 O ATOM 945 CB ILE A 67 -18.715 -11.826 0.888 1.00 0.00 C ATOM 946 CG1 ILE A 67 -18.147 -10.783 1.853 1.00 0.00 C ATOM 947 CG2 ILE A 67 -19.263 -11.155 -0.363 1.00 0.00 C ATOM 948 CD1 ILE A 67 -16.746 -10.334 1.501 1.00 0.00 C ATOM 0 H ILE A 67 -20.575 -10.795 2.192 1.00 0.00 H new ATOM 0 HA ILE A 67 -20.382 -13.193 0.822 1.00 0.00 H new ATOM 0 HB ILE A 67 -17.909 -12.498 0.593 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -18.806 -9.915 1.866 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -18.145 -11.196 2.862 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -18.473 -10.576 -0.841 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -19.625 -11.916 -1.055 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -20.085 -10.492 -0.090 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -16.408 -9.595 2.227 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -16.074 -11.192 1.517 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -16.745 -9.891 0.505 1.00 0.00 H new ATOM 960 N LYS A 68 -18.686 -14.758 1.982 1.00 0.00 N ATOM 961 CA LYS A 68 -18.036 -15.790 2.782 1.00 0.00 C ATOM 962 C LYS A 68 -17.029 -15.176 3.748 1.00 0.00 C ATOM 963 O LYS A 68 -17.068 -15.438 4.950 1.00 0.00 O ATOM 964 CB LYS A 68 -17.336 -16.802 1.873 1.00 0.00 C ATOM 965 CG LYS A 68 -18.262 -17.454 0.860 1.00 0.00 C ATOM 966 CD LYS A 68 -17.658 -18.726 0.290 1.00 0.00 C ATOM 967 CE LYS A 68 -18.043 -19.945 1.114 1.00 0.00 C ATOM 968 NZ LYS A 68 -17.107 -20.163 2.252 1.00 0.00 N ATOM 0 H LYS A 68 -18.735 -14.966 0.985 1.00 0.00 H new ATOM 0 HA LYS A 68 -18.803 -16.302 3.363 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -16.526 -16.301 1.343 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -16.882 -17.578 2.489 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -19.217 -17.684 1.333 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -18.468 -16.754 0.051 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -17.994 -18.860 -0.738 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -16.572 -18.633 0.261 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -19.056 -19.820 1.496 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -18.050 -20.828 0.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -17.091 -21.173 2.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -16.151 -19.859 1.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -17.424 -19.610 3.073 1.00 0.00 H new ATOM 982 N GLY A 69 -16.127 -14.357 3.215 1.00 0.00 N ATOM 983 CA GLY A 69 -15.123 -13.718 4.046 1.00 0.00 C ATOM 984 C GLY A 69 -15.726 -13.006 5.241 1.00 0.00 C ATOM 985 O GLY A 69 -15.175 -13.051 6.340 1.00 0.00 O ATOM 0 H GLY A 69 -16.074 -14.125 2.223 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -14.413 -14.468 4.394 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -14.561 -13.002 3.446 1.00 0.00 H new ATOM 989 N TRP A 70 -16.859 -12.348 5.025 1.00 0.00 N ATOM 990 CA TRP A 70 -17.536 -11.622 6.093 1.00 0.00 C ATOM 991 C TRP A 70 -18.027 -12.578 7.175 1.00 0.00 C ATOM 992 O TRP A 70 -17.643 -12.464 8.339 1.00 0.00 O ATOM 993 CB TRP A 70 -18.711 -10.823 5.529 1.00 0.00 C ATOM 994 CG TRP A 70 -18.373 -9.392 5.240 1.00 0.00 C ATOM 995 CD1 TRP A 70 -17.340 -8.933 4.473 1.00 0.00 C ATOM 996 CD2 TRP A 70 -19.068 -8.234 5.715 1.00 0.00 C ATOM 997 NE1 TRP A 70 -17.351 -7.559 4.443 1.00 0.00 N ATOM 998 CE2 TRP A 70 -18.401 -7.106 5.197 1.00 0.00 C ATOM 999 CE3 TRP A 70 -20.189 -8.039 6.527 1.00 0.00 C ATOM 1000 CZ2 TRP A 70 -18.820 -5.806 5.465 1.00 0.00 C ATOM 1001 CZ3 TRP A 70 -20.603 -6.748 6.792 1.00 0.00 C ATOM 1002 CH2 TRP A 70 -19.921 -5.645 6.262 1.00 0.00 C ATOM 0 H TRP A 70 -17.328 -12.302 4.120 1.00 0.00 H new ATOM 0 HA TRP A 70 -16.820 -10.933 6.541 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -19.058 -11.299 4.612 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -19.538 -10.857 6.238 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -16.620 -9.558 3.965 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -16.685 -6.972 3.941 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -20.722 -8.883 6.940 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -18.295 -4.954 5.058 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -21.468 -6.586 7.419 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -20.271 -4.648 6.487 1.00 0.00 H new ATOM 1013 N ASP A 71 -18.878 -13.520 6.783 1.00 0.00 N ATOM 1014 CA ASP A 71 -19.420 -14.498 7.719 1.00 0.00 C ATOM 1015 C ASP A 71 -18.302 -15.189 8.492 1.00 0.00 C ATOM 1016 O ASP A 71 -18.420 -15.428 9.693 1.00 0.00 O ATOM 1017 CB ASP A 71 -20.261 -15.536 6.976 1.00 0.00 C ATOM 1018 CG ASP A 71 -20.590 -16.739 7.837 1.00 0.00 C ATOM 1019 OD1 ASP A 71 -21.202 -16.551 8.910 1.00 0.00 O ATOM 1020 OD2 ASP A 71 -20.236 -17.869 7.440 1.00 0.00 O ATOM 0 H ASP A 71 -19.207 -13.627 5.824 1.00 0.00 H new ATOM 0 HA ASP A 71 -20.055 -13.970 8.430 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -21.187 -15.073 6.635 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -19.724 -15.865 6.087 1.00 0.00 H new ATOM 1025 N GLU A 72 -17.217 -15.509 7.794 1.00 0.00 N ATOM 1026 CA GLU A 72 -16.078 -16.176 8.415 1.00 0.00 C ATOM 1027 C GLU A 72 -15.476 -15.309 9.517 1.00 0.00 C ATOM 1028 O GLU A 72 -15.132 -15.802 10.591 1.00 0.00 O ATOM 1029 CB GLU A 72 -15.012 -16.498 7.365 1.00 0.00 C ATOM 1030 CG GLU A 72 -14.647 -17.971 7.301 1.00 0.00 C ATOM 1031 CD GLU A 72 -13.719 -18.292 6.145 1.00 0.00 C ATOM 1032 OE1 GLU A 72 -13.593 -17.448 5.234 1.00 0.00 O ATOM 1033 OE2 GLU A 72 -13.120 -19.388 6.152 1.00 0.00 O ATOM 0 H GLU A 72 -17.102 -15.317 6.799 1.00 0.00 H new ATOM 0 HA GLU A 72 -16.432 -17.106 8.860 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -15.370 -16.178 6.386 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -14.114 -15.919 7.581 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -14.171 -18.265 8.237 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -15.557 -18.563 7.207 1.00 0.00 H new ATOM 1040 N GLY A 73 -15.352 -14.014 9.243 1.00 0.00 N ATOM 1041 CA GLY A 73 -14.790 -13.099 10.220 1.00 0.00 C ATOM 1042 C GLY A 73 -15.761 -12.781 11.340 1.00 0.00 C ATOM 1043 O GLY A 73 -15.361 -12.636 12.495 1.00 0.00 O ATOM 0 H GLY A 73 -15.631 -13.582 8.362 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -13.883 -13.534 10.641 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -14.499 -12.174 9.722 1.00 0.00 H new ATOM 1047 N VAL A 74 -17.041 -12.669 10.998 1.00 0.00 N ATOM 1048 CA VAL A 74 -18.071 -12.364 11.984 1.00 0.00 C ATOM 1049 C VAL A 74 -18.188 -13.477 13.019 1.00 0.00 C ATOM 1050 O VAL A 74 -18.446 -13.220 14.194 1.00 0.00 O ATOM 1051 CB VAL A 74 -19.442 -12.154 11.315 1.00 0.00 C ATOM 1052 CG1 VAL A 74 -20.479 -11.730 12.344 1.00 0.00 C ATOM 1053 CG2 VAL A 74 -19.338 -11.127 10.197 1.00 0.00 C ATOM 0 H VAL A 74 -17.389 -12.785 10.046 1.00 0.00 H new ATOM 0 HA VAL A 74 -17.771 -11.441 12.480 1.00 0.00 H new ATOM 0 HB VAL A 74 -19.763 -13.100 10.879 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -21.441 -11.586 11.853 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -20.573 -12.503 13.106 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -20.167 -10.796 12.811 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -20.316 -10.991 9.735 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -18.995 -10.177 10.606 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -18.628 -11.476 9.447 1.00 0.00 H new ATOM 1063 N GLN A 75 -17.997 -14.715 12.573 1.00 0.00 N ATOM 1064 CA GLN A 75 -18.081 -15.868 13.461 1.00 0.00 C ATOM 1065 C GLN A 75 -16.739 -16.137 14.133 1.00 0.00 C ATOM 1066 O GLN A 75 -16.299 -17.282 14.226 1.00 0.00 O ATOM 1067 CB GLN A 75 -18.533 -17.105 12.683 1.00 0.00 C ATOM 1068 CG GLN A 75 -17.535 -17.562 11.632 1.00 0.00 C ATOM 1069 CD GLN A 75 -18.140 -18.528 10.633 1.00 0.00 C ATOM 1070 OE1 GLN A 75 -19.274 -18.150 10.055 1.00 0.00 O flip ATOM 1071 NE2 GLN A 75 -17.594 -19.603 10.384 1.00 0.00 N flip ATOM 0 H GLN A 75 -17.783 -14.945 11.602 1.00 0.00 H new ATOM 0 HA GLN A 75 -18.815 -15.646 14.235 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -18.708 -17.921 13.384 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -19.486 -16.891 12.198 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -17.148 -16.692 11.102 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -16.687 -18.038 12.124 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -16.723 -19.853 10.852 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -18.013 -20.244 9.710 1.00 0.00 H new ATOM 1080 N GLY A 76 -16.092 -15.074 14.600 1.00 0.00 N ATOM 1081 CA GLY A 76 -14.806 -15.217 15.256 1.00 0.00 C ATOM 1082 C GLY A 76 -14.418 -13.983 16.048 1.00 0.00 C ATOM 1083 O GLY A 76 -13.869 -14.089 17.144 1.00 0.00 O ATOM 0 H GLY A 76 -16.436 -14.116 14.536 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -14.836 -16.079 15.923 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -14.040 -15.420 14.507 1.00 0.00 H new ATOM 1087 N MET A 77 -14.703 -12.811 15.491 1.00 0.00 N ATOM 1088 CA MET A 77 -14.380 -11.552 16.152 1.00 0.00 C ATOM 1089 C MET A 77 -14.914 -11.537 17.581 1.00 0.00 C ATOM 1090 O MET A 77 -15.842 -12.272 17.917 1.00 0.00 O ATOM 1091 CB MET A 77 -14.961 -10.375 15.366 1.00 0.00 C ATOM 1092 CG MET A 77 -16.436 -10.533 15.035 1.00 0.00 C ATOM 1093 SD MET A 77 -17.050 -9.224 13.957 1.00 0.00 S ATOM 1094 CE MET A 77 -18.808 -9.563 13.982 1.00 0.00 C ATOM 0 H MET A 77 -15.157 -12.707 14.584 1.00 0.00 H new ATOM 0 HA MET A 77 -13.295 -11.456 16.187 1.00 0.00 H new ATOM 0 HB2 MET A 77 -14.823 -9.460 15.942 1.00 0.00 H new ATOM 0 HB3 MET A 77 -14.400 -10.256 14.439 1.00 0.00 H new ATOM 0 HG2 MET A 77 -16.595 -11.498 14.555 1.00 0.00 H new ATOM 0 HG3 MET A 77 -17.013 -10.538 15.959 1.00 0.00 H new ATOM 0 HE1 MET A 77 -19.267 -9.171 13.074 1.00 0.00 H new ATOM 0 HE2 MET A 77 -18.970 -10.640 14.035 1.00 0.00 H new ATOM 0 HE3 MET A 77 -19.258 -9.085 14.852 1.00 0.00 H new ATOM 1104 N LYS A 78 -14.320 -10.695 18.420 1.00 0.00 N ATOM 1105 CA LYS A 78 -14.735 -10.582 19.814 1.00 0.00 C ATOM 1106 C LYS A 78 -15.000 -9.127 20.187 1.00 0.00 C ATOM 1107 O LYS A 78 -14.404 -8.212 19.618 1.00 0.00 O ATOM 1108 CB LYS A 78 -13.664 -11.170 20.735 1.00 0.00 C ATOM 1109 CG LYS A 78 -13.353 -12.630 20.454 1.00 0.00 C ATOM 1110 CD LYS A 78 -11.947 -12.996 20.897 1.00 0.00 C ATOM 1111 CE LYS A 78 -11.341 -14.065 20.000 1.00 0.00 C ATOM 1112 NZ LYS A 78 -9.864 -13.917 19.881 1.00 0.00 N ATOM 0 H LYS A 78 -13.549 -10.080 18.159 1.00 0.00 H new ATOM 0 HA LYS A 78 -15.661 -11.144 19.939 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -12.749 -10.586 20.633 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -13.992 -11.070 21.770 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -14.075 -13.263 20.971 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -13.462 -12.827 19.388 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -11.317 -12.107 20.882 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -11.970 -13.353 21.926 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -11.576 -15.051 20.400 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -11.793 -14.007 19.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -9.489 -14.664 19.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -9.640 -12.986 19.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -9.430 -13.998 20.823 1.00 0.00 H new ATOM 1126 N VAL A 79 -15.895 -8.921 21.147 1.00 0.00 N ATOM 1127 CA VAL A 79 -16.236 -7.577 21.598 1.00 0.00 C ATOM 1128 C VAL A 79 -14.986 -6.786 21.965 1.00 0.00 C ATOM 1129 O VAL A 79 -14.182 -7.222 22.788 1.00 0.00 O ATOM 1130 CB VAL A 79 -17.181 -7.616 22.814 1.00 0.00 C ATOM 1131 CG1 VAL A 79 -17.583 -6.207 23.223 1.00 0.00 C ATOM 1132 CG2 VAL A 79 -18.408 -8.462 22.509 1.00 0.00 C ATOM 0 H VAL A 79 -16.397 -9.667 21.628 1.00 0.00 H new ATOM 0 HA VAL A 79 -16.743 -7.084 20.768 1.00 0.00 H new ATOM 0 HB VAL A 79 -16.651 -8.074 23.649 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -18.251 -6.254 24.083 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -16.692 -5.636 23.486 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -18.095 -5.719 22.393 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -19.064 -8.478 23.379 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -18.942 -8.036 21.660 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -18.098 -9.479 22.269 1.00 0.00 H new ATOM 1142 N GLY A 80 -14.828 -5.619 21.348 1.00 0.00 N ATOM 1143 CA GLY A 80 -13.672 -4.785 21.623 1.00 0.00 C ATOM 1144 C GLY A 80 -12.457 -5.193 20.814 1.00 0.00 C ATOM 1145 O GLY A 80 -11.391 -4.592 20.937 1.00 0.00 O ATOM 0 H GLY A 80 -15.479 -5.236 20.663 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -13.918 -3.746 21.405 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -13.433 -4.840 22.685 1.00 0.00 H new ATOM 1149 N GLY A 81 -12.618 -6.219 19.984 1.00 0.00 N ATOM 1150 CA GLY A 81 -11.516 -6.691 19.166 1.00 0.00 C ATOM 1151 C GLY A 81 -11.496 -6.046 17.794 1.00 0.00 C ATOM 1152 O GLY A 81 -12.487 -6.090 17.065 1.00 0.00 O ATOM 0 H GLY A 81 -13.492 -6.732 19.863 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -10.575 -6.484 19.675 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -11.587 -7.773 19.055 1.00 0.00 H new ATOM 1156 N VAL A 82 -10.364 -5.445 17.441 1.00 0.00 N ATOM 1157 CA VAL A 82 -10.219 -4.787 16.147 1.00 0.00 C ATOM 1158 C VAL A 82 -9.026 -5.344 15.379 1.00 0.00 C ATOM 1159 O VAL A 82 -7.883 -5.237 15.824 1.00 0.00 O ATOM 1160 CB VAL A 82 -10.048 -3.265 16.307 1.00 0.00 C ATOM 1161 CG1 VAL A 82 -9.975 -2.590 14.946 1.00 0.00 C ATOM 1162 CG2 VAL A 82 -11.183 -2.686 17.138 1.00 0.00 C ATOM 0 H VAL A 82 -9.534 -5.400 18.032 1.00 0.00 H new ATOM 0 HA VAL A 82 -11.133 -4.985 15.587 1.00 0.00 H new ATOM 0 HB VAL A 82 -9.111 -3.075 16.831 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -9.854 -1.515 15.079 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -9.125 -2.985 14.389 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -10.894 -2.786 14.393 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -11.046 -1.610 17.241 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -12.134 -2.885 16.644 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -11.183 -3.148 18.125 1.00 0.00 H new ATOM 1172 N ARG A 83 -9.299 -5.938 14.221 1.00 0.00 N ATOM 1173 CA ARG A 83 -8.248 -6.512 13.391 1.00 0.00 C ATOM 1174 C ARG A 83 -8.595 -6.385 11.910 1.00 0.00 C ATOM 1175 O ARG A 83 -9.767 -6.395 11.534 1.00 0.00 O ATOM 1176 CB ARG A 83 -8.030 -7.983 13.750 1.00 0.00 C ATOM 1177 CG ARG A 83 -8.009 -8.247 15.247 1.00 0.00 C ATOM 1178 CD ARG A 83 -7.600 -9.680 15.553 1.00 0.00 C ATOM 1179 NE ARG A 83 -8.738 -10.594 15.513 1.00 0.00 N ATOM 1180 CZ ARG A 83 -9.676 -10.642 16.452 1.00 0.00 C ATOM 1181 NH1 ARG A 83 -9.612 -9.832 17.500 1.00 0.00 N ATOM 1182 NH2 ARG A 83 -10.681 -11.502 16.345 1.00 0.00 N ATOM 0 H ARG A 83 -10.239 -6.034 13.837 1.00 0.00 H new ATOM 0 HA ARG A 83 -7.328 -5.959 13.580 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -8.820 -8.580 13.295 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -7.088 -8.318 13.317 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -7.316 -7.558 15.730 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -8.996 -8.051 15.666 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -6.849 -10.004 14.833 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -7.136 -9.722 16.538 1.00 0.00 H new ATOM 0 HE ARG A 83 -8.817 -11.231 14.720 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -8.841 -9.170 17.586 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -10.334 -9.871 18.220 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -10.734 -12.127 15.541 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -11.401 -11.538 17.067 1.00 0.00 H new ATOM 1196 N ARG A 84 -7.568 -6.265 11.075 1.00 0.00 N ATOM 1197 CA ARG A 84 -7.764 -6.135 9.636 1.00 0.00 C ATOM 1198 C ARG A 84 -7.707 -7.498 8.954 1.00 0.00 C ATOM 1199 O ARG A 84 -6.644 -8.112 8.856 1.00 0.00 O ATOM 1200 CB ARG A 84 -6.704 -5.208 9.038 1.00 0.00 C ATOM 1201 CG ARG A 84 -6.917 -4.912 7.562 1.00 0.00 C ATOM 1202 CD ARG A 84 -5.617 -4.519 6.879 1.00 0.00 C ATOM 1203 NE ARG A 84 -4.909 -3.472 7.611 1.00 0.00 N ATOM 1204 CZ ARG A 84 -3.663 -3.100 7.341 1.00 0.00 C ATOM 1205 NH1 ARG A 84 -2.990 -3.687 6.361 1.00 0.00 N ATOM 1206 NH2 ARG A 84 -3.086 -2.139 8.052 1.00 0.00 N ATOM 0 H ARG A 84 -6.592 -6.255 11.370 1.00 0.00 H new ATOM 0 HA ARG A 84 -8.751 -5.705 9.466 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -6.701 -4.269 9.591 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -5.721 -5.660 9.171 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -7.336 -5.790 7.071 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -7.644 -4.108 7.452 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -4.975 -5.396 6.789 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -5.829 -4.174 5.867 1.00 0.00 H new ATOM 0 HE ARG A 84 -5.399 -3.001 8.372 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -3.429 -4.426 5.812 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -2.033 -3.399 6.156 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -3.600 -1.685 8.807 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -2.129 -1.855 7.843 1.00 0.00 H new ATOM 1220 N LEU A 85 -8.858 -7.967 8.484 1.00 0.00 N ATOM 1221 CA LEU A 85 -8.941 -9.258 7.811 1.00 0.00 C ATOM 1222 C LEU A 85 -8.958 -9.083 6.296 1.00 0.00 C ATOM 1223 O LEU A 85 -9.782 -8.344 5.755 1.00 0.00 O ATOM 1224 CB LEU A 85 -10.193 -10.012 8.263 1.00 0.00 C ATOM 1225 CG LEU A 85 -10.321 -10.260 9.766 1.00 0.00 C ATOM 1226 CD1 LEU A 85 -11.758 -10.055 10.220 1.00 0.00 C ATOM 1227 CD2 LEU A 85 -9.843 -11.661 10.119 1.00 0.00 C ATOM 0 H LEU A 85 -9.747 -7.472 8.557 1.00 0.00 H new ATOM 0 HA LEU A 85 -8.058 -9.837 8.081 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -11.068 -9.454 7.931 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -10.217 -10.975 7.753 1.00 0.00 H new ATOM 0 HG LEU A 85 -9.690 -9.541 10.288 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -11.830 -10.236 11.292 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -12.066 -9.032 10.003 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -12.410 -10.750 9.690 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -9.942 -11.819 11.193 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -10.447 -12.396 9.587 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -8.798 -11.772 9.830 1.00 0.00 H new ATOM 1239 N THR A 86 -8.044 -9.768 5.615 1.00 0.00 N ATOM 1240 CA THR A 86 -7.955 -9.689 4.163 1.00 0.00 C ATOM 1241 C THR A 86 -8.889 -10.694 3.499 1.00 0.00 C ATOM 1242 O THR A 86 -8.673 -11.904 3.581 1.00 0.00 O ATOM 1243 CB THR A 86 -6.516 -9.941 3.674 1.00 0.00 C ATOM 1244 OG1 THR A 86 -5.585 -9.251 4.515 1.00 0.00 O ATOM 1245 CG2 THR A 86 -6.346 -9.480 2.234 1.00 0.00 C ATOM 0 H THR A 86 -7.355 -10.384 6.047 1.00 0.00 H new ATOM 0 HA THR A 86 -8.255 -8.679 3.883 1.00 0.00 H new ATOM 0 HB THR A 86 -6.322 -11.012 3.721 1.00 0.00 H new ATOM 0 HG1 THR A 86 -4.673 -9.418 4.199 1.00 0.00 H new ATOM 0 HG21 THR A 86 -5.322 -9.668 1.910 1.00 0.00 H new ATOM 0 HG22 THR A 86 -7.036 -10.028 1.593 1.00 0.00 H new ATOM 0 HG23 THR A 86 -6.558 -8.413 2.166 1.00 0.00 H new ATOM 1253 N ILE A 87 -9.926 -10.187 2.841 1.00 0.00 N ATOM 1254 CA ILE A 87 -10.892 -11.042 2.162 1.00 0.00 C ATOM 1255 C ILE A 87 -10.556 -11.181 0.681 1.00 0.00 C ATOM 1256 O ILE A 87 -10.739 -10.257 -0.112 1.00 0.00 O ATOM 1257 CB ILE A 87 -12.325 -10.495 2.303 1.00 0.00 C ATOM 1258 CG1 ILE A 87 -12.716 -10.404 3.779 1.00 0.00 C ATOM 1259 CG2 ILE A 87 -13.305 -11.377 1.543 1.00 0.00 C ATOM 1260 CD1 ILE A 87 -14.046 -9.722 4.011 1.00 0.00 C ATOM 0 H ILE A 87 -10.119 -9.188 2.764 1.00 0.00 H new ATOM 0 HA ILE A 87 -10.837 -12.021 2.638 1.00 0.00 H new ATOM 0 HB ILE A 87 -12.360 -9.493 1.875 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -12.754 -11.409 4.199 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -11.940 -9.862 4.319 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -14.313 -10.978 1.652 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -13.034 -11.396 0.487 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -13.270 -12.390 1.945 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -14.259 -9.693 5.080 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -14.006 -8.705 3.621 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -14.833 -10.276 3.499 1.00 0.00 H new ATOM 1272 N PRO A 88 -10.054 -12.364 0.296 1.00 0.00 N ATOM 1273 CA PRO A 88 -9.685 -12.654 -1.092 1.00 0.00 C ATOM 1274 C PRO A 88 -10.901 -12.762 -2.005 1.00 0.00 C ATOM 1275 O PRO A 88 -12.047 -12.780 -1.554 1.00 0.00 O ATOM 1276 CB PRO A 88 -8.968 -14.002 -0.995 1.00 0.00 C ATOM 1277 CG PRO A 88 -9.520 -14.637 0.235 1.00 0.00 C ATOM 1278 CD PRO A 88 -9.810 -13.510 1.188 1.00 0.00 C ATOM 0 HA PRO A 88 -9.074 -11.861 -1.525 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -9.157 -14.615 -1.876 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -7.888 -13.872 -0.923 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -10.425 -15.201 0.010 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -8.806 -15.339 0.666 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -10.677 -13.725 1.813 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -8.971 -13.325 1.859 1.00 0.00 H new ATOM 1286 N PRO A 89 -10.650 -12.837 -3.321 1.00 0.00 N ATOM 1287 CA PRO A 89 -11.713 -12.946 -4.325 1.00 0.00 C ATOM 1288 C PRO A 89 -12.414 -14.299 -4.282 1.00 0.00 C ATOM 1289 O PRO A 89 -13.617 -14.392 -4.522 1.00 0.00 O ATOM 1290 CB PRO A 89 -10.968 -12.771 -5.650 1.00 0.00 C ATOM 1291 CG PRO A 89 -9.572 -13.203 -5.360 1.00 0.00 C ATOM 1292 CD PRO A 89 -9.310 -12.821 -3.929 1.00 0.00 C ATOM 0 HA PRO A 89 -12.503 -12.212 -4.164 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -11.414 -13.377 -6.438 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -11.000 -11.735 -5.988 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -9.458 -14.277 -5.504 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -8.865 -12.714 -6.030 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -8.639 -13.528 -3.441 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -8.846 -11.837 -3.854 1.00 0.00 H new ATOM 1300 N GLN A 90 -11.653 -15.345 -3.975 1.00 0.00 N ATOM 1301 CA GLN A 90 -12.203 -16.694 -3.901 1.00 0.00 C ATOM 1302 C GLN A 90 -13.183 -16.819 -2.739 1.00 0.00 C ATOM 1303 O GLN A 90 -13.912 -17.806 -2.632 1.00 0.00 O ATOM 1304 CB GLN A 90 -11.078 -17.718 -3.747 1.00 0.00 C ATOM 1305 CG GLN A 90 -10.075 -17.362 -2.661 1.00 0.00 C ATOM 1306 CD GLN A 90 -9.624 -18.570 -1.864 1.00 0.00 C ATOM 1307 OE1 GLN A 90 -10.358 -19.550 -1.732 1.00 0.00 O ATOM 1308 NE2 GLN A 90 -8.411 -18.507 -1.328 1.00 0.00 N ATOM 0 H GLN A 90 -10.655 -15.284 -3.774 1.00 0.00 H new ATOM 0 HA GLN A 90 -12.740 -16.892 -4.829 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -11.513 -18.692 -3.523 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -10.553 -17.814 -4.697 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -9.206 -16.887 -3.116 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -10.521 -16.632 -1.986 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -7.836 -17.675 -1.463 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -8.054 -19.291 -0.781 1.00 0.00 H new ATOM 1317 N LEU A 91 -13.196 -15.814 -1.871 1.00 0.00 N ATOM 1318 CA LEU A 91 -14.087 -15.811 -0.716 1.00 0.00 C ATOM 1319 C LEU A 91 -14.978 -14.573 -0.719 1.00 0.00 C ATOM 1320 O LEU A 91 -15.735 -14.339 0.222 1.00 0.00 O ATOM 1321 CB LEU A 91 -13.276 -15.867 0.579 1.00 0.00 C ATOM 1322 CG LEU A 91 -12.888 -17.262 1.069 1.00 0.00 C ATOM 1323 CD1 LEU A 91 -14.129 -18.116 1.282 1.00 0.00 C ATOM 1324 CD2 LEU A 91 -11.942 -17.930 0.083 1.00 0.00 C ATOM 0 H LEU A 91 -12.599 -14.990 -1.945 1.00 0.00 H new ATOM 0 HA LEU A 91 -14.723 -16.694 -0.777 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -12.364 -15.287 0.438 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -13.849 -15.374 1.364 1.00 0.00 H new ATOM 0 HG LEU A 91 -12.372 -17.161 2.024 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -13.834 -19.106 1.631 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -14.771 -17.645 2.026 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -14.672 -18.210 0.342 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -11.677 -18.922 0.448 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -12.431 -18.019 -0.887 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -11.039 -17.328 -0.020 1.00 0.00 H new ATOM 1336 N GLY A 92 -14.884 -13.784 -1.785 1.00 0.00 N ATOM 1337 CA GLY A 92 -15.689 -12.581 -1.891 1.00 0.00 C ATOM 1338 C GLY A 92 -16.439 -12.499 -3.206 1.00 0.00 C ATOM 1339 O GLY A 92 -17.441 -13.187 -3.400 1.00 0.00 O ATOM 0 H GLY A 92 -14.265 -13.956 -2.577 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -16.402 -12.551 -1.067 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -15.046 -11.707 -1.788 1.00 0.00 H new ATOM 1343 N TYR A 93 -15.955 -11.655 -4.110 1.00 0.00 N ATOM 1344 CA TYR A 93 -16.589 -11.483 -5.411 1.00 0.00 C ATOM 1345 C TYR A 93 -16.331 -12.690 -6.307 1.00 0.00 C ATOM 1346 O TYR A 93 -17.260 -13.275 -6.863 1.00 0.00 O ATOM 1347 CB TYR A 93 -16.074 -10.212 -6.089 1.00 0.00 C ATOM 1348 CG TYR A 93 -16.318 -8.955 -5.284 1.00 0.00 C ATOM 1349 CD1 TYR A 93 -17.439 -8.834 -4.472 1.00 0.00 C ATOM 1350 CD2 TYR A 93 -15.429 -7.889 -5.336 1.00 0.00 C ATOM 1351 CE1 TYR A 93 -17.667 -7.687 -3.735 1.00 0.00 C ATOM 1352 CE2 TYR A 93 -15.647 -6.740 -4.602 1.00 0.00 C ATOM 1353 CZ TYR A 93 -16.768 -6.643 -3.803 1.00 0.00 C ATOM 1354 OH TYR A 93 -16.990 -5.499 -3.071 1.00 0.00 O ATOM 0 H TYR A 93 -15.126 -11.079 -3.966 1.00 0.00 H new ATOM 0 HA TYR A 93 -17.664 -11.393 -5.253 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -15.004 -10.315 -6.271 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -16.554 -10.109 -7.062 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -18.144 -9.650 -4.416 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -14.552 -7.960 -5.962 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -18.544 -7.609 -3.110 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -14.944 -5.922 -4.653 1.00 0.00 H new ATOM 0 HH TYR A 93 -16.262 -4.862 -3.231 1.00 0.00 H new ATOM 1364 N GLY A 94 -15.060 -13.058 -6.442 1.00 0.00 N ATOM 1365 CA GLY A 94 -14.701 -14.194 -7.271 1.00 0.00 C ATOM 1366 C GLY A 94 -13.981 -13.781 -8.540 1.00 0.00 C ATOM 1367 O GLY A 94 -13.520 -12.647 -8.658 1.00 0.00 O ATOM 0 H GLY A 94 -14.273 -12.590 -5.992 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -14.065 -14.870 -6.700 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -15.602 -14.749 -7.532 1.00 0.00 H new ATOM 1371 N ALA A 95 -13.884 -14.705 -9.490 1.00 0.00 N ATOM 1372 CA ALA A 95 -13.215 -14.431 -10.756 1.00 0.00 C ATOM 1373 C ALA A 95 -14.162 -13.757 -11.743 1.00 0.00 C ATOM 1374 O ALA A 95 -13.805 -13.519 -12.897 1.00 0.00 O ATOM 1375 CB ALA A 95 -12.659 -15.718 -11.349 1.00 0.00 C ATOM 0 H ALA A 95 -14.260 -15.650 -9.407 1.00 0.00 H new ATOM 0 HA ALA A 95 -12.389 -13.747 -10.561 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -12.162 -15.498 -12.294 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -11.942 -16.158 -10.656 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -13.474 -16.421 -11.522 1.00 0.00 H new ATOM 1381 N ARG A 96 -15.371 -13.454 -11.282 1.00 0.00 N ATOM 1382 CA ARG A 96 -16.371 -12.810 -12.126 1.00 0.00 C ATOM 1383 C ARG A 96 -16.017 -11.345 -12.365 1.00 0.00 C ATOM 1384 O ARG A 96 -16.393 -10.763 -13.382 1.00 0.00 O ATOM 1385 CB ARG A 96 -17.755 -12.912 -11.483 1.00 0.00 C ATOM 1386 CG ARG A 96 -18.899 -12.753 -12.470 1.00 0.00 C ATOM 1387 CD ARG A 96 -19.105 -14.015 -13.293 1.00 0.00 C ATOM 1388 NE ARG A 96 -19.938 -13.772 -14.468 1.00 0.00 N ATOM 1389 CZ ARG A 96 -21.262 -13.684 -14.425 1.00 0.00 C ATOM 1390 NH1 ARG A 96 -21.901 -13.817 -13.271 1.00 0.00 N ATOM 1391 NH2 ARG A 96 -21.951 -13.462 -15.537 1.00 0.00 N ATOM 0 H ARG A 96 -15.682 -13.644 -10.329 1.00 0.00 H new ATOM 0 HA ARG A 96 -16.386 -13.325 -13.087 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -17.846 -13.879 -10.988 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -17.844 -12.148 -10.710 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -19.816 -12.516 -11.931 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -18.694 -11.914 -13.134 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -18.137 -14.404 -13.609 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -19.569 -14.781 -12.672 1.00 0.00 H new ATOM 0 HE ARG A 96 -19.477 -13.664 -15.371 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -21.375 -13.987 -12.414 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -22.918 -13.749 -13.241 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -21.463 -13.359 -16.427 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -22.968 -13.395 -15.502 1.00 0.00 H new ATOM 1405 N GLY A 97 -15.291 -10.754 -11.421 1.00 0.00 N ATOM 1406 CA GLY A 97 -14.899 -9.363 -11.547 1.00 0.00 C ATOM 1407 C GLY A 97 -15.894 -8.419 -10.902 1.00 0.00 C ATOM 1408 O GLY A 97 -16.987 -8.830 -10.513 1.00 0.00 O ATOM 0 H GLY A 97 -14.967 -11.215 -10.570 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -13.920 -9.222 -11.089 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -14.797 -9.112 -12.603 1.00 0.00 H new ATOM 1412 N ALA A 98 -15.516 -7.151 -10.787 1.00 0.00 N ATOM 1413 CA ALA A 98 -16.383 -6.146 -10.184 1.00 0.00 C ATOM 1414 C ALA A 98 -16.348 -4.844 -10.976 1.00 0.00 C ATOM 1415 O ALA A 98 -17.296 -4.512 -11.687 1.00 0.00 O ATOM 1416 CB ALA A 98 -15.979 -5.898 -8.738 1.00 0.00 C ATOM 0 H ALA A 98 -14.614 -6.795 -11.104 1.00 0.00 H new ATOM 0 HA ALA A 98 -17.405 -6.525 -10.204 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -16.635 -5.145 -8.301 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -16.064 -6.826 -8.172 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -14.948 -5.545 -8.704 1.00 0.00 H new ATOM 1422 N GLY A 99 -15.248 -4.108 -10.848 1.00 0.00 N ATOM 1423 CA GLY A 99 -15.111 -2.849 -11.557 1.00 0.00 C ATOM 1424 C GLY A 99 -14.117 -2.932 -12.699 1.00 0.00 C ATOM 1425 O GLY A 99 -13.902 -4.002 -13.266 1.00 0.00 O ATOM 0 H GLY A 99 -14.449 -4.361 -10.266 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -16.083 -2.547 -11.947 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -14.793 -2.075 -10.858 1.00 0.00 H new ATOM 1429 N GLY A 100 -13.511 -1.799 -13.038 1.00 0.00 N ATOM 1430 CA GLY A 100 -12.544 -1.769 -14.120 1.00 0.00 C ATOM 1431 C GLY A 100 -11.177 -2.263 -13.688 1.00 0.00 C ATOM 1432 O GLY A 100 -10.593 -3.135 -14.331 1.00 0.00 O ATOM 0 H GLY A 100 -13.672 -0.901 -12.583 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -12.906 -2.384 -14.944 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -12.457 -0.750 -14.497 1.00 0.00 H new ATOM 1436 N VAL A 101 -10.665 -1.703 -12.597 1.00 0.00 N ATOM 1437 CA VAL A 101 -9.357 -2.091 -12.081 1.00 0.00 C ATOM 1438 C VAL A 101 -9.485 -3.189 -11.031 1.00 0.00 C ATOM 1439 O VAL A 101 -8.808 -3.161 -10.003 1.00 0.00 O ATOM 1440 CB VAL A 101 -8.619 -0.889 -11.463 1.00 0.00 C ATOM 1441 CG1 VAL A 101 -8.375 0.185 -12.513 1.00 0.00 C ATOM 1442 CG2 VAL A 101 -9.404 -0.328 -10.287 1.00 0.00 C ATOM 0 H VAL A 101 -11.135 -0.979 -12.053 1.00 0.00 H new ATOM 0 HA VAL A 101 -8.781 -2.466 -12.927 1.00 0.00 H new ATOM 0 HB VAL A 101 -7.652 -1.230 -11.094 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -7.853 1.027 -12.058 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -7.768 -0.226 -13.320 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -9.330 0.525 -12.915 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -8.867 0.521 -9.863 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -10.387 -0.002 -10.628 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -9.521 -1.100 -9.526 1.00 0.00 H new ATOM 1452 N ILE A 102 -10.356 -4.156 -11.298 1.00 0.00 N ATOM 1453 CA ILE A 102 -10.571 -5.265 -10.376 1.00 0.00 C ATOM 1454 C ILE A 102 -10.548 -6.602 -11.110 1.00 0.00 C ATOM 1455 O ILE A 102 -11.562 -7.074 -11.625 1.00 0.00 O ATOM 1456 CB ILE A 102 -11.911 -5.125 -9.630 1.00 0.00 C ATOM 1457 CG1 ILE A 102 -11.948 -3.812 -8.845 1.00 0.00 C ATOM 1458 CG2 ILE A 102 -12.126 -6.310 -8.700 1.00 0.00 C ATOM 1459 CD1 ILE A 102 -13.235 -3.602 -8.079 1.00 0.00 C ATOM 0 H ILE A 102 -10.924 -4.194 -12.144 1.00 0.00 H new ATOM 0 HA ILE A 102 -9.757 -5.236 -9.652 1.00 0.00 H new ATOM 0 HB ILE A 102 -12.718 -5.112 -10.363 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -11.112 -3.792 -8.146 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -11.806 -2.981 -9.536 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -13.077 -6.196 -8.180 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -12.138 -7.232 -9.282 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -11.317 -6.352 -7.971 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -13.191 -2.652 -7.547 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -14.074 -3.589 -8.774 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -13.369 -4.413 -7.363 1.00 0.00 H new ATOM 1471 N PRO A 103 -9.364 -7.230 -11.159 1.00 0.00 N ATOM 1472 CA PRO A 103 -9.180 -8.523 -11.825 1.00 0.00 C ATOM 1473 C PRO A 103 -9.864 -9.662 -11.077 1.00 0.00 C ATOM 1474 O PRO A 103 -10.299 -9.514 -9.935 1.00 0.00 O ATOM 1475 CB PRO A 103 -7.661 -8.713 -11.817 1.00 0.00 C ATOM 1476 CG PRO A 103 -7.184 -7.905 -10.660 1.00 0.00 C ATOM 1477 CD PRO A 103 -8.113 -6.726 -10.567 1.00 0.00 C ATOM 0 HA PRO A 103 -9.619 -8.534 -12.823 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -7.394 -9.764 -11.703 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -7.214 -8.370 -12.750 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -7.203 -8.490 -9.741 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -6.154 -7.580 -10.809 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -8.257 -6.408 -9.534 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -7.727 -5.866 -11.115 1.00 0.00 H new ATOM 1485 N PRO A 104 -9.961 -10.827 -11.734 1.00 0.00 N ATOM 1486 CA PRO A 104 -10.591 -12.015 -11.149 1.00 0.00 C ATOM 1487 C PRO A 104 -9.762 -12.611 -10.016 1.00 0.00 C ATOM 1488 O PRO A 104 -10.220 -13.503 -9.303 1.00 0.00 O ATOM 1489 CB PRO A 104 -10.668 -12.991 -12.326 1.00 0.00 C ATOM 1490 CG PRO A 104 -9.571 -12.568 -13.241 1.00 0.00 C ATOM 1491 CD PRO A 104 -9.465 -11.075 -13.098 1.00 0.00 C ATOM 0 HA PRO A 104 -11.559 -11.786 -10.703 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -10.533 -14.021 -11.996 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -11.638 -12.939 -12.820 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -8.632 -13.053 -12.975 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -9.793 -12.847 -14.271 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -8.438 -10.731 -13.221 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -10.066 -10.556 -13.845 1.00 0.00 H new ATOM 1499 N ASN A 105 -8.541 -12.112 -9.856 1.00 0.00 N ATOM 1500 CA ASN A 105 -7.649 -12.596 -8.809 1.00 0.00 C ATOM 1501 C ASN A 105 -7.307 -11.480 -7.826 1.00 0.00 C ATOM 1502 O ASN A 105 -6.375 -11.602 -7.033 1.00 0.00 O ATOM 1503 CB ASN A 105 -6.366 -13.160 -9.423 1.00 0.00 C ATOM 1504 CG ASN A 105 -5.344 -12.080 -9.720 1.00 0.00 C ATOM 1505 OD1 ASN A 105 -4.424 -11.848 -8.936 1.00 0.00 O ATOM 1506 ND2 ASN A 105 -5.502 -11.414 -10.858 1.00 0.00 N ATOM 0 H ASN A 105 -8.147 -11.373 -10.438 1.00 0.00 H new ATOM 0 HA ASN A 105 -8.164 -13.389 -8.267 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -5.931 -13.891 -8.741 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -6.609 -13.689 -10.344 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -4.845 -10.676 -11.112 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -6.280 -11.641 -11.478 1.00 0.00 H new ATOM 1513 N ALA A 106 -8.070 -10.393 -7.885 1.00 0.00 N ATOM 1514 CA ALA A 106 -7.850 -9.257 -7.000 1.00 0.00 C ATOM 1515 C ALA A 106 -8.357 -9.552 -5.592 1.00 0.00 C ATOM 1516 O ALA A 106 -9.377 -10.219 -5.414 1.00 0.00 O ATOM 1517 CB ALA A 106 -8.529 -8.014 -7.558 1.00 0.00 C ATOM 0 H ALA A 106 -8.846 -10.276 -8.537 1.00 0.00 H new ATOM 0 HA ALA A 106 -6.777 -9.076 -6.941 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -8.356 -7.173 -6.887 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -8.117 -7.784 -8.541 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -9.600 -8.194 -7.647 1.00 0.00 H new ATOM 1523 N THR A 107 -7.638 -9.050 -4.592 1.00 0.00 N ATOM 1524 CA THR A 107 -8.014 -9.262 -3.200 1.00 0.00 C ATOM 1525 C THR A 107 -8.447 -7.957 -2.543 1.00 0.00 C ATOM 1526 O THR A 107 -7.919 -6.888 -2.854 1.00 0.00 O ATOM 1527 CB THR A 107 -6.852 -9.870 -2.391 1.00 0.00 C ATOM 1528 OG1 THR A 107 -6.460 -11.122 -2.963 1.00 0.00 O ATOM 1529 CG2 THR A 107 -7.253 -10.074 -0.938 1.00 0.00 C ATOM 0 H THR A 107 -6.793 -8.494 -4.721 1.00 0.00 H new ATOM 0 HA THR A 107 -8.851 -9.960 -3.201 1.00 0.00 H new ATOM 0 HB THR A 107 -6.012 -9.176 -2.426 1.00 0.00 H new ATOM 0 HG1 THR A 107 -5.720 -11.501 -2.444 1.00 0.00 H new ATOM 0 HG21 THR A 107 -6.417 -10.504 -0.387 1.00 0.00 H new ATOM 0 HG22 THR A 107 -7.523 -9.115 -0.497 1.00 0.00 H new ATOM 0 HG23 THR A 107 -8.107 -10.750 -0.888 1.00 0.00 H new ATOM 1537 N LEU A 108 -9.410 -8.049 -1.633 1.00 0.00 N ATOM 1538 CA LEU A 108 -9.914 -6.874 -0.930 1.00 0.00 C ATOM 1539 C LEU A 108 -9.777 -7.042 0.580 1.00 0.00 C ATOM 1540 O LEU A 108 -10.163 -8.069 1.138 1.00 0.00 O ATOM 1541 CB LEU A 108 -11.379 -6.626 -1.297 1.00 0.00 C ATOM 1542 CG LEU A 108 -11.696 -6.565 -2.791 1.00 0.00 C ATOM 1543 CD1 LEU A 108 -12.900 -7.435 -3.117 1.00 0.00 C ATOM 1544 CD2 LEU A 108 -11.941 -5.128 -3.226 1.00 0.00 C ATOM 0 H LEU A 108 -9.858 -8.925 -1.364 1.00 0.00 H new ATOM 0 HA LEU A 108 -9.318 -6.014 -1.236 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -11.983 -7.415 -0.850 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -11.693 -5.687 -0.841 1.00 0.00 H new ATOM 0 HG LEU A 108 -10.837 -6.948 -3.341 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -13.111 -7.379 -4.185 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -12.687 -8.468 -2.843 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -13.766 -7.082 -2.557 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -12.165 -5.104 -4.292 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -12.783 -4.718 -2.669 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -11.050 -4.531 -3.029 1.00 0.00 H new ATOM 1556 N VAL A 109 -9.228 -6.025 1.235 1.00 0.00 N ATOM 1557 CA VAL A 109 -9.043 -6.058 2.681 1.00 0.00 C ATOM 1558 C VAL A 109 -10.154 -5.297 3.395 1.00 0.00 C ATOM 1559 O VAL A 109 -10.718 -4.346 2.853 1.00 0.00 O ATOM 1560 CB VAL A 109 -7.683 -5.459 3.087 1.00 0.00 C ATOM 1561 CG1 VAL A 109 -7.295 -5.914 4.486 1.00 0.00 C ATOM 1562 CG2 VAL A 109 -6.611 -5.840 2.077 1.00 0.00 C ATOM 0 H VAL A 109 -8.903 -5.168 0.788 1.00 0.00 H new ATOM 0 HA VAL A 109 -9.074 -7.106 2.980 1.00 0.00 H new ATOM 0 HB VAL A 109 -7.772 -4.373 3.096 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -6.332 -5.481 4.755 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -8.052 -5.586 5.198 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -7.223 -7.001 4.508 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -5.657 -5.409 2.379 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -6.521 -6.925 2.034 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -6.886 -5.459 1.093 1.00 0.00 H new ATOM 1572 N PHE A 110 -10.465 -5.721 4.615 1.00 0.00 N ATOM 1573 CA PHE A 110 -11.510 -5.079 5.405 1.00 0.00 C ATOM 1574 C PHE A 110 -11.171 -5.119 6.892 1.00 0.00 C ATOM 1575 O PHE A 110 -10.777 -6.158 7.421 1.00 0.00 O ATOM 1576 CB PHE A 110 -12.857 -5.763 5.159 1.00 0.00 C ATOM 1577 CG PHE A 110 -13.510 -5.354 3.870 1.00 0.00 C ATOM 1578 CD1 PHE A 110 -13.140 -5.943 2.672 1.00 0.00 C ATOM 1579 CD2 PHE A 110 -14.496 -4.380 3.856 1.00 0.00 C ATOM 1580 CE1 PHE A 110 -13.739 -5.568 1.484 1.00 0.00 C ATOM 1581 CE2 PHE A 110 -15.099 -4.000 2.671 1.00 0.00 C ATOM 1582 CZ PHE A 110 -14.720 -4.596 1.484 1.00 0.00 C ATOM 0 H PHE A 110 -10.009 -6.507 5.079 1.00 0.00 H new ATOM 0 HA PHE A 110 -11.577 -4.036 5.094 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -12.712 -6.843 5.157 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -13.529 -5.533 5.986 1.00 0.00 H new ATOM 0 HD1 PHE A 110 -12.374 -6.704 2.666 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -14.797 -3.912 4.782 1.00 0.00 H new ATOM 0 HE1 PHE A 110 -13.440 -6.035 0.557 1.00 0.00 H new ATOM 0 HE2 PHE A 110 -15.865 -3.239 2.674 1.00 0.00 H new ATOM 0 HZ PHE A 110 -15.190 -4.302 0.557 1.00 0.00 H new ATOM 1592 N GLU A 111 -11.326 -3.980 7.559 1.00 0.00 N ATOM 1593 CA GLU A 111 -11.035 -3.885 8.985 1.00 0.00 C ATOM 1594 C GLU A 111 -12.302 -4.074 9.813 1.00 0.00 C ATOM 1595 O GLU A 111 -13.222 -3.257 9.756 1.00 0.00 O ATOM 1596 CB GLU A 111 -10.398 -2.532 9.308 1.00 0.00 C ATOM 1597 CG GLU A 111 -9.722 -2.487 10.669 1.00 0.00 C ATOM 1598 CD GLU A 111 -10.298 -1.413 11.571 1.00 0.00 C ATOM 1599 OE1 GLU A 111 -9.851 -0.251 11.471 1.00 0.00 O ATOM 1600 OE2 GLU A 111 -11.196 -1.735 12.377 1.00 0.00 O ATOM 0 H GLU A 111 -11.651 -3.111 7.136 1.00 0.00 H new ATOM 0 HA GLU A 111 -10.334 -4.679 9.241 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -9.664 -2.293 8.539 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -11.166 -1.759 9.267 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -9.825 -3.458 11.154 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -8.655 -2.310 10.535 1.00 0.00 H new ATOM 1607 N VAL A 112 -12.344 -5.157 10.582 1.00 0.00 N ATOM 1608 CA VAL A 112 -13.497 -5.454 11.423 1.00 0.00 C ATOM 1609 C VAL A 112 -13.216 -5.114 12.882 1.00 0.00 C ATOM 1610 O VAL A 112 -12.206 -5.535 13.444 1.00 0.00 O ATOM 1611 CB VAL A 112 -13.899 -6.938 11.321 1.00 0.00 C ATOM 1612 CG1 VAL A 112 -15.264 -7.166 11.953 1.00 0.00 C ATOM 1613 CG2 VAL A 112 -13.891 -7.393 9.870 1.00 0.00 C ATOM 0 H VAL A 112 -11.592 -5.844 10.640 1.00 0.00 H new ATOM 0 HA VAL A 112 -14.319 -4.837 11.061 1.00 0.00 H new ATOM 0 HB VAL A 112 -13.168 -7.533 11.868 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -15.531 -8.220 11.872 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -15.230 -6.880 13.004 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -16.010 -6.562 11.436 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -14.177 -8.443 9.816 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -14.599 -6.794 9.297 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -12.891 -7.268 9.455 1.00 0.00 H new ATOM 1623 N GLU A 113 -14.118 -4.349 13.490 1.00 0.00 N ATOM 1624 CA GLU A 113 -13.965 -3.952 14.885 1.00 0.00 C ATOM 1625 C GLU A 113 -15.272 -4.139 15.650 1.00 0.00 C ATOM 1626 O GLU A 113 -16.280 -3.500 15.345 1.00 0.00 O ATOM 1627 CB GLU A 113 -13.512 -2.493 14.977 1.00 0.00 C ATOM 1628 CG GLU A 113 -14.431 -1.524 14.252 1.00 0.00 C ATOM 1629 CD GLU A 113 -13.840 -0.132 14.142 1.00 0.00 C ATOM 1630 OE1 GLU A 113 -13.330 0.378 15.162 1.00 0.00 O ATOM 1631 OE2 GLU A 113 -13.888 0.448 13.037 1.00 0.00 O ATOM 0 H GLU A 113 -14.961 -3.993 13.039 1.00 0.00 H new ATOM 0 HA GLU A 113 -13.205 -4.590 15.336 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -13.450 -2.206 16.027 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -12.507 -2.406 14.563 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -14.640 -1.906 13.253 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -15.384 -1.470 14.778 1.00 0.00 H new ATOM 1638 N LEU A 114 -15.248 -5.020 16.644 1.00 0.00 N ATOM 1639 CA LEU A 114 -16.431 -5.293 17.453 1.00 0.00 C ATOM 1640 C LEU A 114 -16.670 -4.175 18.462 1.00 0.00 C ATOM 1641 O LEU A 114 -15.784 -3.831 19.246 1.00 0.00 O ATOM 1642 CB LEU A 114 -16.277 -6.629 18.182 1.00 0.00 C ATOM 1643 CG LEU A 114 -17.567 -7.416 18.421 1.00 0.00 C ATOM 1644 CD1 LEU A 114 -18.696 -6.480 18.824 1.00 0.00 C ATOM 1645 CD2 LEU A 114 -17.946 -8.208 17.178 1.00 0.00 C ATOM 0 H LEU A 114 -14.423 -5.557 16.909 1.00 0.00 H new ATOM 0 HA LEU A 114 -17.292 -5.347 16.787 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -15.593 -7.256 17.609 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -15.805 -6.442 19.147 1.00 0.00 H new ATOM 0 HG LEU A 114 -17.396 -8.118 19.237 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -19.606 -7.057 18.990 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -18.425 -5.958 19.742 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -18.867 -5.753 18.030 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -18.866 -8.762 17.366 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -18.098 -7.524 16.343 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -17.146 -8.906 16.933 1.00 0.00 H new ATOM 1657 N LEU A 115 -17.873 -3.612 18.440 1.00 0.00 N ATOM 1658 CA LEU A 115 -18.231 -2.534 19.355 1.00 0.00 C ATOM 1659 C LEU A 115 -19.055 -3.062 20.524 1.00 0.00 C ATOM 1660 O LEU A 115 -18.811 -2.710 21.678 1.00 0.00 O ATOM 1661 CB LEU A 115 -19.013 -1.448 18.614 1.00 0.00 C ATOM 1662 CG LEU A 115 -18.507 -1.092 17.215 1.00 0.00 C ATOM 1663 CD1 LEU A 115 -19.217 0.146 16.690 1.00 0.00 C ATOM 1664 CD2 LEU A 115 -17.001 -0.879 17.231 1.00 0.00 C ATOM 0 H LEU A 115 -18.617 -3.884 17.798 1.00 0.00 H new ATOM 0 HA LEU A 115 -17.310 -2.105 19.749 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -20.052 -1.768 18.532 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -19.005 -0.544 19.222 1.00 0.00 H new ATOM 0 HG LEU A 115 -18.729 -1.924 16.546 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -18.844 0.384 15.694 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -20.289 -0.043 16.641 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -19.027 0.985 17.359 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -16.659 -0.627 16.227 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -16.756 -0.065 17.913 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -16.508 -1.792 17.564 1.00 0.00 H new ATOM 1676 N ASP A 116 -20.030 -3.911 20.218 1.00 0.00 N ATOM 1677 CA ASP A 116 -20.889 -4.491 21.244 1.00 0.00 C ATOM 1678 C ASP A 116 -21.721 -5.635 20.673 1.00 0.00 C ATOM 1679 O ASP A 116 -21.762 -5.841 19.460 1.00 0.00 O ATOM 1680 CB ASP A 116 -21.808 -3.421 21.835 1.00 0.00 C ATOM 1681 CG ASP A 116 -22.311 -3.789 23.217 1.00 0.00 C ATOM 1682 OD1 ASP A 116 -21.631 -4.578 23.905 1.00 0.00 O ATOM 1683 OD2 ASP A 116 -23.387 -3.289 23.610 1.00 0.00 O ATOM 0 H ASP A 116 -20.245 -4.213 19.268 1.00 0.00 H new ATOM 0 HA ASP A 116 -20.252 -4.888 22.034 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -21.271 -2.474 21.887 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -22.659 -3.269 21.170 1.00 0.00 H new ATOM 1688 N VAL A 117 -22.382 -6.378 21.555 1.00 0.00 N ATOM 1689 CA VAL A 117 -23.213 -7.501 21.139 1.00 0.00 C ATOM 1690 C VAL A 117 -24.668 -7.286 21.540 1.00 0.00 C ATOM 1691 O VAL A 117 -25.492 -8.170 21.312 1.00 0.00 O ATOM 1692 CB VAL A 117 -22.714 -8.824 21.749 1.00 0.00 C ATOM 1693 CG1 VAL A 117 -21.304 -9.136 21.269 1.00 0.00 C ATOM 1694 CG2 VAL A 117 -22.767 -8.764 23.269 1.00 0.00 C ATOM 0 H VAL A 117 -22.358 -6.222 22.563 1.00 0.00 H new ATOM 0 HA VAL A 117 -23.144 -7.561 20.053 1.00 0.00 H new ATOM 0 HB VAL A 117 -23.372 -9.627 21.416 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -20.969 -10.074 21.711 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -21.301 -9.225 20.183 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -20.631 -8.333 21.569 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -22.411 -9.707 23.683 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -22.134 -7.950 23.623 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -23.794 -8.591 23.591 1.00 0.00 H new