USER MOD reduce.3.24.130724 H: found=0, std=0, add=788, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 791 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 46 SER OG : rot -150:sc= 0.00275 USER MOD Set 1.2: A 64 HIS : no HE2:sc= -1.31 K(o=-1.3,f=-2.1) USER MOD Single : A 9 TYR OH : rot -10:sc= 0.0493 USER MOD Single : A 10 HIS : no HD1:sc= 0.428 K(o=0.43,f=-1.4!) USER MOD Single : A 12 HIS : no HD1:sc= -0.984! C(o=-0.98!,f=-0.89!) USER MOD Single : A 13 MET CE :methyl 173:sc= -5.63! (180deg=-6.18!) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 0.109 K(o=0.11,f=-4.4!) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -1.34! C(o=-1.3!,f=-2.1!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 132:sc= 1.02 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot -27:sc= -0.336 USER MOD Single : A 51 GLN : amide:sc= -0.006 K(o=-0.006,f=-1) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 69:sc= 1.14 USER MOD Single : A 63 THR OG1 : rot -141:sc= 0.00452 USER MOD Single : A 66 LYS NZ :NH3+ -160:sc= -0.597 (180deg=-1.15) USER MOD Single : A 68 MET CE :methyl -140:sc= -2.91! (180deg=-3.72!) USER MOD Single : A 69 CYS SG : rot 16:sc= 0.838 USER MOD Single : A 74 TYR OH : rot -87:sc= -0.101! USER MOD Single : A 75 THR OG1 : rot 132:sc= 1.1 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 HIS :FLIP no HD1:sc= -0.818 F(o=-1.8,f=-0.82) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot -115:sc= 0.241 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 GLN : amide:sc= -1.16 K(o=-1.2,f=-4.8!) USER MOD Single : A 111 TYR OH : rot 75:sc= 0.0314 USER MOD Single : A 112 TYR OH : rot 180:sc= -0.152 USER MOD Single : B 9 SER OG : rot -153:sc= 0.689 USER MOD Single : B 12 ASN :FLIP amide:sc= 0 F(o=-0.69,f=0) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 5.327 -5.016 -12.696 1.00 0.00 N ATOM 60 CA GLY A 7 4.094 -4.776 -11.970 1.00 0.00 C ATOM 61 C GLY A 7 4.283 -3.817 -10.810 1.00 0.00 C ATOM 62 O GLY A 7 5.012 -2.831 -10.924 1.00 0.00 O ATOM 0 HA2 GLY A 7 3.346 -4.373 -12.653 1.00 0.00 H new ATOM 0 HA3 GLY A 7 3.706 -5.723 -11.595 1.00 0.00 H new ATOM 66 N TRP A 8 3.623 -4.105 -9.694 1.00 0.00 N ATOM 67 CA TRP A 8 3.720 -3.260 -8.510 1.00 0.00 C ATOM 68 C TRP A 8 4.289 -4.040 -7.330 1.00 0.00 C ATOM 69 O TRP A 8 4.011 -3.724 -6.173 1.00 0.00 O ATOM 70 CB TRP A 8 2.346 -2.694 -8.148 1.00 0.00 C ATOM 71 CG TRP A 8 1.212 -3.590 -8.545 1.00 0.00 C ATOM 72 CD1 TRP A 8 0.200 -3.294 -9.414 1.00 0.00 C ATOM 73 CD2 TRP A 8 0.972 -4.924 -8.087 1.00 0.00 C ATOM 74 NE1 TRP A 8 -0.654 -4.366 -9.523 1.00 0.00 N ATOM 75 CE2 TRP A 8 -0.201 -5.379 -8.720 1.00 0.00 C ATOM 76 CE3 TRP A 8 1.637 -5.782 -7.205 1.00 0.00 C ATOM 77 CZ2 TRP A 8 -0.723 -6.650 -8.497 1.00 0.00 C ATOM 78 CZ3 TRP A 8 1.118 -7.044 -6.985 1.00 0.00 C ATOM 79 CH2 TRP A 8 -0.052 -7.469 -7.629 1.00 0.00 C ATOM 0 H TRP A 8 3.015 -4.917 -9.584 1.00 0.00 H new ATOM 0 HA TRP A 8 4.396 -2.436 -8.737 1.00 0.00 H new ATOM 0 HB2 TRP A 8 2.304 -2.521 -7.073 1.00 0.00 H new ATOM 0 HB3 TRP A 8 2.221 -1.725 -8.632 1.00 0.00 H new ATOM 0 HD1 TRP A 8 0.088 -2.356 -9.938 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -1.489 -4.401 -10.107 1.00 0.00 H new ATOM 0 HE3 TRP A 8 2.540 -5.464 -6.705 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -1.625 -6.978 -8.991 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 1.623 -7.714 -6.305 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -0.432 -8.462 -7.437 1.00 0.00 H new ATOM 90 N TYR A 9 5.088 -5.058 -7.629 1.00 0.00 N ATOM 91 CA TYR A 9 5.695 -5.884 -6.592 1.00 0.00 C ATOM 92 C TYR A 9 7.166 -5.529 -6.404 1.00 0.00 C ATOM 93 O TYR A 9 7.943 -5.524 -7.360 1.00 0.00 O ATOM 94 CB TYR A 9 5.557 -7.367 -6.946 1.00 0.00 C ATOM 95 CG TYR A 9 5.577 -8.280 -5.742 1.00 0.00 C ATOM 96 CD1 TYR A 9 4.455 -8.421 -4.934 1.00 0.00 C ATOM 97 CD2 TYR A 9 6.716 -9.004 -5.412 1.00 0.00 C ATOM 98 CE1 TYR A 9 4.468 -9.254 -3.832 1.00 0.00 C ATOM 99 CE2 TYR A 9 6.738 -9.840 -4.314 1.00 0.00 C ATOM 100 CZ TYR A 9 5.611 -9.962 -3.527 1.00 0.00 C ATOM 101 OH TYR A 9 5.630 -10.794 -2.430 1.00 0.00 O ATOM 0 H TYR A 9 5.331 -5.331 -8.581 1.00 0.00 H new ATOM 0 HA TYR A 9 5.171 -5.690 -5.656 1.00 0.00 H new ATOM 0 HB2 TYR A 9 4.624 -7.517 -7.490 1.00 0.00 H new ATOM 0 HB3 TYR A 9 6.367 -7.648 -7.619 1.00 0.00 H new ATOM 0 HD1 TYR A 9 3.557 -7.870 -5.172 1.00 0.00 H new ATOM 0 HD2 TYR A 9 7.600 -8.911 -6.026 1.00 0.00 H new ATOM 0 HE1 TYR A 9 3.588 -9.350 -3.213 1.00 0.00 H new ATOM 0 HE2 TYR A 9 7.632 -10.395 -4.072 1.00 0.00 H new ATOM 0 HH TYR A 9 4.823 -10.646 -1.893 1.00 0.00 H new ATOM 111 N HIS A 10 7.542 -5.231 -5.164 1.00 0.00 N ATOM 112 CA HIS A 10 8.922 -4.876 -4.849 1.00 0.00 C ATOM 113 C HIS A 10 9.598 -5.982 -4.043 1.00 0.00 C ATOM 114 O HIS A 10 10.671 -6.460 -4.407 1.00 0.00 O ATOM 115 CB HIS A 10 8.966 -3.561 -4.069 1.00 0.00 C ATOM 116 CG HIS A 10 8.633 -2.361 -4.900 1.00 0.00 C ATOM 117 ND1 HIS A 10 9.592 -1.545 -5.462 1.00 0.00 N ATOM 118 CD2 HIS A 10 7.438 -1.840 -5.264 1.00 0.00 C ATOM 119 CE1 HIS A 10 9.002 -0.574 -6.135 1.00 0.00 C ATOM 120 NE2 HIS A 10 7.694 -0.730 -6.031 1.00 0.00 N ATOM 0 H HIS A 10 6.912 -5.228 -4.362 1.00 0.00 H new ATOM 0 HA HIS A 10 9.463 -4.753 -5.787 1.00 0.00 H new ATOM 0 HB2 HIS A 10 8.268 -3.620 -3.234 1.00 0.00 H new ATOM 0 HB3 HIS A 10 9.961 -3.433 -3.644 1.00 0.00 H new ATOM 0 HD2 HIS A 10 6.464 -2.226 -5.000 1.00 0.00 H new ATOM 0 HE1 HIS A 10 9.503 0.214 -6.678 1.00 0.00 H new ATOM 0 HE2 HIS A 10 6.989 -0.125 -6.452 1.00 0.00 H new ATOM 129 N GLY A 11 8.961 -6.383 -2.947 1.00 0.00 N ATOM 130 CA GLY A 11 9.516 -7.428 -2.107 1.00 0.00 C ATOM 131 C GLY A 11 10.298 -6.874 -0.933 1.00 0.00 C ATOM 132 O GLY A 11 9.717 -6.479 0.078 1.00 0.00 O ATOM 0 H GLY A 11 8.071 -6.003 -2.626 1.00 0.00 H new ATOM 0 HA2 GLY A 11 8.708 -8.059 -1.736 1.00 0.00 H new ATOM 0 HA3 GLY A 11 10.168 -8.064 -2.706 1.00 0.00 H new ATOM 136 N HIS A 12 11.621 -6.848 -1.065 1.00 0.00 N ATOM 137 CA HIS A 12 12.484 -6.339 -0.005 1.00 0.00 C ATOM 138 C HIS A 12 12.323 -4.830 0.149 1.00 0.00 C ATOM 139 O HIS A 12 12.728 -4.061 -0.722 1.00 0.00 O ATOM 140 CB HIS A 12 13.944 -6.680 -0.300 1.00 0.00 C ATOM 141 CG HIS A 12 14.559 -5.820 -1.362 1.00 0.00 C ATOM 142 ND1 HIS A 12 14.279 -5.968 -2.705 1.00 0.00 N ATOM 143 CD2 HIS A 12 15.440 -4.798 -1.273 1.00 0.00 C ATOM 144 CE1 HIS A 12 14.964 -5.074 -3.395 1.00 0.00 C ATOM 145 NE2 HIS A 12 15.677 -4.352 -2.550 1.00 0.00 N ATOM 0 H HIS A 12 12.118 -7.173 -1.894 1.00 0.00 H new ATOM 0 HA HIS A 12 12.189 -6.815 0.930 1.00 0.00 H new ATOM 0 HB2 HIS A 12 14.524 -6.580 0.617 1.00 0.00 H new ATOM 0 HB3 HIS A 12 14.010 -7.724 -0.607 1.00 0.00 H new ATOM 0 HD2 HIS A 12 15.876 -4.406 -0.366 1.00 0.00 H new ATOM 0 HE1 HIS A 12 14.944 -4.954 -4.468 1.00 0.00 H new ATOM 0 HE2 HIS A 12 16.302 -3.587 -2.804 1.00 0.00 H new ATOM 154 N MET A 13 11.731 -4.413 1.263 1.00 0.00 N ATOM 155 CA MET A 13 11.517 -2.996 1.531 1.00 0.00 C ATOM 156 C MET A 13 11.049 -2.778 2.967 1.00 0.00 C ATOM 157 O MET A 13 10.105 -3.423 3.426 1.00 0.00 O ATOM 158 CB MET A 13 10.491 -2.418 0.554 1.00 0.00 C ATOM 159 CG MET A 13 10.609 -0.915 0.368 1.00 0.00 C ATOM 160 SD MET A 13 11.802 -0.464 -0.907 1.00 0.00 S ATOM 161 CE MET A 13 10.708 0.007 -2.244 1.00 0.00 C ATOM 0 H MET A 13 11.391 -5.037 1.995 1.00 0.00 H new ATOM 0 HA MET A 13 12.467 -2.480 1.395 1.00 0.00 H new ATOM 0 HB2 MET A 13 10.608 -2.906 -0.414 1.00 0.00 H new ATOM 0 HB3 MET A 13 9.489 -2.654 0.911 1.00 0.00 H new ATOM 0 HG2 MET A 13 9.632 -0.507 0.107 1.00 0.00 H new ATOM 0 HG3 MET A 13 10.903 -0.458 1.313 1.00 0.00 H new ATOM 0 HE1 MET A 13 11.293 0.429 -3.061 1.00 0.00 H new ATOM 0 HE2 MET A 13 10.169 -0.871 -2.599 1.00 0.00 H new ATOM 0 HE3 MET A 13 9.996 0.750 -1.886 1.00 0.00 H new ATOM 171 N SER A 14 11.712 -1.866 3.670 1.00 0.00 N ATOM 172 CA SER A 14 11.366 -1.567 5.054 1.00 0.00 C ATOM 173 C SER A 14 10.222 -0.559 5.122 1.00 0.00 C ATOM 174 O SER A 14 10.145 0.364 4.313 1.00 0.00 O ATOM 175 CB SER A 14 12.585 -1.025 5.802 1.00 0.00 C ATOM 176 OG SER A 14 13.459 -2.074 6.182 1.00 0.00 O ATOM 0 H SER A 14 12.492 -1.321 3.303 1.00 0.00 H new ATOM 0 HA SER A 14 11.040 -2.492 5.529 1.00 0.00 H new ATOM 0 HB2 SER A 14 13.118 -0.315 5.169 1.00 0.00 H new ATOM 0 HB3 SER A 14 12.259 -0.480 6.688 1.00 0.00 H new ATOM 0 HG SER A 14 14.231 -1.701 6.657 1.00 0.00 H new ATOM 182 N GLY A 15 9.336 -0.743 6.096 1.00 0.00 N ATOM 183 CA GLY A 15 8.210 0.158 6.253 1.00 0.00 C ATOM 184 C GLY A 15 8.584 1.605 6.004 1.00 0.00 C ATOM 185 O GLY A 15 8.350 2.136 4.919 1.00 0.00 O ATOM 0 H GLY A 15 9.378 -1.500 6.779 1.00 0.00 H new ATOM 0 HA2 GLY A 15 7.418 -0.133 5.563 1.00 0.00 H new ATOM 0 HA3 GLY A 15 7.807 0.059 7.261 1.00 0.00 H new ATOM 189 N GLY A 16 9.167 2.246 7.013 1.00 0.00 N ATOM 190 CA GLY A 16 9.563 3.636 6.877 1.00 0.00 C ATOM 191 C GLY A 16 10.072 3.961 5.487 1.00 0.00 C ATOM 192 O GLY A 16 9.905 5.082 5.006 1.00 0.00 O ATOM 0 H GLY A 16 9.372 1.828 7.921 1.00 0.00 H new ATOM 0 HA2 GLY A 16 8.712 4.277 7.108 1.00 0.00 H new ATOM 0 HA3 GLY A 16 10.340 3.862 7.607 1.00 0.00 H new ATOM 196 N GLN A 17 10.694 2.980 4.842 1.00 0.00 N ATOM 197 CA GLN A 17 11.230 3.170 3.498 1.00 0.00 C ATOM 198 C GLN A 17 10.120 3.521 2.514 1.00 0.00 C ATOM 199 O GLN A 17 10.092 4.620 1.960 1.00 0.00 O ATOM 200 CB GLN A 17 11.958 1.907 3.035 1.00 0.00 C ATOM 201 CG GLN A 17 13.071 2.180 2.035 1.00 0.00 C ATOM 202 CD GLN A 17 14.029 1.012 1.895 1.00 0.00 C ATOM 203 OE1 GLN A 17 14.032 0.096 2.717 1.00 0.00 O ATOM 204 NE2 GLN A 17 14.849 1.041 0.851 1.00 0.00 N ATOM 0 H GLN A 17 10.840 2.047 5.227 1.00 0.00 H new ATOM 0 HA GLN A 17 11.937 3.999 3.529 1.00 0.00 H new ATOM 0 HB2 GLN A 17 12.377 1.400 3.904 1.00 0.00 H new ATOM 0 HB3 GLN A 17 11.236 1.225 2.586 1.00 0.00 H new ATOM 0 HG2 GLN A 17 12.633 2.405 1.062 1.00 0.00 H new ATOM 0 HG3 GLN A 17 13.626 3.065 2.347 1.00 0.00 H new ATOM 0 HE21 GLN A 17 14.812 1.821 0.195 1.00 0.00 H new ATOM 0 HE22 GLN A 17 15.516 0.283 0.705 1.00 0.00 H new ATOM 213 N ALA A 18 9.206 2.580 2.300 1.00 0.00 N ATOM 214 CA ALA A 18 8.092 2.791 1.383 1.00 0.00 C ATOM 215 C ALA A 18 7.618 4.240 1.420 1.00 0.00 C ATOM 216 O ALA A 18 7.471 4.881 0.381 1.00 0.00 O ATOM 217 CB ALA A 18 6.947 1.848 1.719 1.00 0.00 C ATOM 0 H ALA A 18 9.215 1.664 2.749 1.00 0.00 H new ATOM 0 HA ALA A 18 8.439 2.577 0.372 1.00 0.00 H new ATOM 0 HB1 ALA A 18 6.122 2.016 1.027 1.00 0.00 H new ATOM 0 HB2 ALA A 18 7.288 0.816 1.633 1.00 0.00 H new ATOM 0 HB3 ALA A 18 6.609 2.035 2.738 1.00 0.00 H new ATOM 223 N GLU A 19 7.378 4.748 2.625 1.00 0.00 N ATOM 224 CA GLU A 19 6.918 6.121 2.796 1.00 0.00 C ATOM 225 C GLU A 19 7.768 7.086 1.976 1.00 0.00 C ATOM 226 O GLU A 19 7.243 7.920 1.236 1.00 0.00 O ATOM 227 CB GLU A 19 6.961 6.516 4.274 1.00 0.00 C ATOM 228 CG GLU A 19 5.668 6.229 5.019 1.00 0.00 C ATOM 229 CD GLU A 19 5.539 7.036 6.296 1.00 0.00 C ATOM 230 OE1 GLU A 19 6.558 7.192 7.003 1.00 0.00 O ATOM 231 OE2 GLU A 19 4.422 7.510 6.589 1.00 0.00 O ATOM 0 H GLU A 19 7.494 4.230 3.496 1.00 0.00 H new ATOM 0 HA GLU A 19 5.889 6.179 2.441 1.00 0.00 H new ATOM 0 HB2 GLU A 19 7.777 5.982 4.761 1.00 0.00 H new ATOM 0 HB3 GLU A 19 7.186 7.580 4.351 1.00 0.00 H new ATOM 0 HG2 GLU A 19 4.822 6.448 4.368 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.619 5.167 5.258 1.00 0.00 H new ATOM 238 N THR A 20 9.085 6.968 2.112 1.00 0.00 N ATOM 239 CA THR A 20 10.008 7.831 1.384 1.00 0.00 C ATOM 240 C THR A 20 9.795 7.720 -0.121 1.00 0.00 C ATOM 241 O THR A 20 9.513 8.713 -0.793 1.00 0.00 O ATOM 242 CB THR A 20 11.474 7.485 1.710 1.00 0.00 C ATOM 243 OG1 THR A 20 11.694 7.562 3.123 1.00 0.00 O ATOM 244 CG2 THR A 20 12.425 8.429 0.991 1.00 0.00 C ATOM 0 H THR A 20 9.537 6.284 2.719 1.00 0.00 H new ATOM 0 HA THR A 20 9.803 8.853 1.702 1.00 0.00 H new ATOM 0 HB THR A 20 11.669 6.468 1.368 1.00 0.00 H new ATOM 0 HG1 THR A 20 12.627 7.339 3.321 1.00 0.00 H new ATOM 0 HG21 THR A 20 13.454 8.165 1.236 1.00 0.00 H new ATOM 0 HG22 THR A 20 12.276 8.345 -0.086 1.00 0.00 H new ATOM 0 HG23 THR A 20 12.228 9.454 1.306 1.00 0.00 H new ATOM 252 N LEU A 21 9.929 6.507 -0.645 1.00 0.00 N ATOM 253 CA LEU A 21 9.750 6.266 -2.073 1.00 0.00 C ATOM 254 C LEU A 21 8.425 6.845 -2.561 1.00 0.00 C ATOM 255 O LEU A 21 8.382 7.577 -3.550 1.00 0.00 O ATOM 256 CB LEU A 21 9.804 4.767 -2.368 1.00 0.00 C ATOM 257 CG LEU A 21 11.050 4.030 -1.876 1.00 0.00 C ATOM 258 CD1 LEU A 21 10.866 3.574 -0.437 1.00 0.00 C ATOM 259 CD2 LEU A 21 11.359 2.844 -2.778 1.00 0.00 C ATOM 0 H LEU A 21 10.161 5.675 -0.103 1.00 0.00 H new ATOM 0 HA LEU A 21 10.561 6.764 -2.605 1.00 0.00 H new ATOM 0 HB2 LEU A 21 8.928 4.297 -1.920 1.00 0.00 H new ATOM 0 HB3 LEU A 21 9.725 4.626 -3.446 1.00 0.00 H new ATOM 0 HG LEU A 21 11.894 4.718 -1.913 1.00 0.00 H new ATOM 0 HD11 LEU A 21 11.762 3.051 -0.103 1.00 0.00 H new ATOM 0 HD12 LEU A 21 10.693 4.441 0.200 1.00 0.00 H new ATOM 0 HD13 LEU A 21 10.010 2.902 -0.375 1.00 0.00 H new ATOM 0 HD21 LEU A 21 12.249 2.331 -2.413 1.00 0.00 H new ATOM 0 HD22 LEU A 21 10.515 2.154 -2.774 1.00 0.00 H new ATOM 0 HD23 LEU A 21 11.535 3.196 -3.795 1.00 0.00 H new ATOM 271 N LEU A 22 7.347 6.515 -1.858 1.00 0.00 N ATOM 272 CA LEU A 22 6.020 7.003 -2.217 1.00 0.00 C ATOM 273 C LEU A 22 5.968 8.526 -2.161 1.00 0.00 C ATOM 274 O LEU A 22 5.781 9.189 -3.181 1.00 0.00 O ATOM 275 CB LEU A 22 4.966 6.410 -1.281 1.00 0.00 C ATOM 276 CG LEU A 22 4.519 4.981 -1.595 1.00 0.00 C ATOM 277 CD1 LEU A 22 3.645 4.438 -0.474 1.00 0.00 C ATOM 278 CD2 LEU A 22 3.777 4.934 -2.923 1.00 0.00 C ATOM 0 H LEU A 22 7.366 5.911 -1.036 1.00 0.00 H new ATOM 0 HA LEU A 22 5.807 6.687 -3.238 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.358 6.432 -0.264 1.00 0.00 H new ATOM 0 HB3 LEU A 22 4.088 7.056 -1.298 1.00 0.00 H new ATOM 0 HG LEU A 22 5.405 4.352 -1.675 1.00 0.00 H new ATOM 0 HD11 LEU A 22 3.336 3.421 -0.714 1.00 0.00 H new ATOM 0 HD12 LEU A 22 4.209 4.436 0.459 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.763 5.068 -0.363 1.00 0.00 H new ATOM 0 HD21 LEU A 22 3.467 3.910 -3.130 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.898 5.576 -2.872 1.00 0.00 H new ATOM 0 HD23 LEU A 22 4.434 5.282 -3.720 1.00 0.00 H new ATOM 290 N GLN A 23 6.135 9.075 -0.961 1.00 0.00 N ATOM 291 CA GLN A 23 6.108 10.521 -0.772 1.00 0.00 C ATOM 292 C GLN A 23 6.963 11.223 -1.822 1.00 0.00 C ATOM 293 O GLN A 23 6.571 12.255 -2.366 1.00 0.00 O ATOM 294 CB GLN A 23 6.602 10.883 0.629 1.00 0.00 C ATOM 295 CG GLN A 23 5.612 10.536 1.731 1.00 0.00 C ATOM 296 CD GLN A 23 6.159 10.820 3.116 1.00 0.00 C ATOM 297 OE1 GLN A 23 7.362 10.716 3.355 1.00 0.00 O ATOM 298 NE2 GLN A 23 5.274 11.182 4.038 1.00 0.00 N ATOM 0 H GLN A 23 6.290 8.541 -0.106 1.00 0.00 H new ATOM 0 HA GLN A 23 5.077 10.857 -0.884 1.00 0.00 H new ATOM 0 HB2 GLN A 23 7.542 10.364 0.819 1.00 0.00 H new ATOM 0 HB3 GLN A 23 6.814 11.951 0.666 1.00 0.00 H new ATOM 0 HG2 GLN A 23 4.695 11.106 1.583 1.00 0.00 H new ATOM 0 HG3 GLN A 23 5.348 9.481 1.658 1.00 0.00 H new ATOM 0 HE21 GLN A 23 4.286 11.255 3.796 1.00 0.00 H new ATOM 0 HE22 GLN A 23 5.582 11.387 4.988 1.00 0.00 H new ATOM 307 N ALA A 24 8.132 10.657 -2.101 1.00 0.00 N ATOM 308 CA ALA A 24 9.042 11.228 -3.087 1.00 0.00 C ATOM 309 C ALA A 24 8.369 11.347 -4.451 1.00 0.00 C ATOM 310 O ALA A 24 8.641 12.277 -5.210 1.00 0.00 O ATOM 311 CB ALA A 24 10.305 10.386 -3.191 1.00 0.00 C ATOM 0 H ALA A 24 8.472 9.803 -1.658 1.00 0.00 H new ATOM 0 HA ALA A 24 9.314 12.230 -2.756 1.00 0.00 H new ATOM 0 HB1 ALA A 24 10.975 10.824 -3.931 1.00 0.00 H new ATOM 0 HB2 ALA A 24 10.804 10.357 -2.222 1.00 0.00 H new ATOM 0 HB3 ALA A 24 10.043 9.373 -3.495 1.00 0.00 H new ATOM 317 N LYS A 25 7.491 10.398 -4.756 1.00 0.00 N ATOM 318 CA LYS A 25 6.777 10.395 -6.028 1.00 0.00 C ATOM 319 C LYS A 25 5.828 11.586 -6.123 1.00 0.00 C ATOM 320 O LYS A 25 5.620 12.143 -7.199 1.00 0.00 O ATOM 321 CB LYS A 25 5.995 9.091 -6.196 1.00 0.00 C ATOM 322 CG LYS A 25 5.339 8.947 -7.558 1.00 0.00 C ATOM 323 CD LYS A 25 6.301 8.368 -8.582 1.00 0.00 C ATOM 324 CE LYS A 25 5.962 8.834 -9.989 1.00 0.00 C ATOM 325 NZ LYS A 25 7.054 8.526 -10.954 1.00 0.00 N ATOM 0 H LYS A 25 7.256 9.620 -4.139 1.00 0.00 H new ATOM 0 HA LYS A 25 7.513 10.475 -6.828 1.00 0.00 H new ATOM 0 HB2 LYS A 25 6.669 8.250 -6.036 1.00 0.00 H new ATOM 0 HB3 LYS A 25 5.227 9.036 -5.424 1.00 0.00 H new ATOM 0 HG2 LYS A 25 4.464 8.303 -7.475 1.00 0.00 H new ATOM 0 HG3 LYS A 25 4.987 9.921 -7.898 1.00 0.00 H new ATOM 0 HD2 LYS A 25 7.320 8.665 -8.335 1.00 0.00 H new ATOM 0 HD3 LYS A 25 6.267 7.279 -8.540 1.00 0.00 H new ATOM 0 HE2 LYS A 25 5.040 8.354 -10.318 1.00 0.00 H new ATOM 0 HE3 LYS A 25 5.777 9.908 -9.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 6.784 8.859 -11.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 7.927 9.004 -10.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 7.214 7.499 -10.981 1.00 0.00 H new ATOM 339 N GLY A 26 5.255 11.972 -4.986 1.00 0.00 N ATOM 340 CA GLY A 26 4.336 13.094 -4.963 1.00 0.00 C ATOM 341 C GLY A 26 3.086 12.837 -5.781 1.00 0.00 C ATOM 342 O GLY A 26 2.318 13.758 -6.057 1.00 0.00 O ATOM 0 H GLY A 26 5.411 11.527 -4.081 1.00 0.00 H new ATOM 0 HA2 GLY A 26 4.054 13.308 -3.932 1.00 0.00 H new ATOM 0 HA3 GLY A 26 4.841 13.981 -5.346 1.00 0.00 H new ATOM 346 N GLU A 27 2.883 11.582 -6.171 1.00 0.00 N ATOM 347 CA GLU A 27 1.719 11.209 -6.965 1.00 0.00 C ATOM 348 C GLU A 27 0.622 10.624 -6.080 1.00 0.00 C ATOM 349 O GLU A 27 0.817 9.631 -5.380 1.00 0.00 O ATOM 350 CB GLU A 27 2.113 10.198 -8.044 1.00 0.00 C ATOM 351 CG GLU A 27 2.559 10.839 -9.346 1.00 0.00 C ATOM 352 CD GLU A 27 1.394 11.209 -10.244 1.00 0.00 C ATOM 353 OE1 GLU A 27 0.745 12.242 -9.979 1.00 0.00 O ATOM 354 OE2 GLU A 27 1.133 10.464 -11.213 1.00 0.00 O ATOM 0 H GLU A 27 3.509 10.808 -5.950 1.00 0.00 H new ATOM 0 HA GLU A 27 1.334 12.109 -7.444 1.00 0.00 H new ATOM 0 HB2 GLU A 27 2.918 9.569 -7.664 1.00 0.00 H new ATOM 0 HB3 GLU A 27 1.265 9.543 -8.243 1.00 0.00 H new ATOM 0 HG2 GLU A 27 3.141 11.734 -9.125 1.00 0.00 H new ATOM 0 HG3 GLU A 27 3.219 10.153 -9.877 1.00 0.00 H new ATOM 361 N PRO A 28 -0.562 11.255 -6.111 1.00 0.00 N ATOM 362 CA PRO A 28 -1.714 10.815 -5.318 1.00 0.00 C ATOM 363 C PRO A 28 -2.293 9.496 -5.818 1.00 0.00 C ATOM 364 O PRO A 28 -2.333 9.242 -7.022 1.00 0.00 O ATOM 365 CB PRO A 28 -2.726 11.948 -5.505 1.00 0.00 C ATOM 366 CG PRO A 28 -2.360 12.571 -6.808 1.00 0.00 C ATOM 367 CD PRO A 28 -0.867 12.444 -6.923 1.00 0.00 C ATOM 0 HA PRO A 28 -1.446 10.631 -4.278 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -3.747 11.568 -5.521 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -2.667 12.670 -4.690 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -2.859 12.067 -7.635 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -2.666 13.617 -6.840 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -0.553 12.314 -7.959 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -0.358 13.330 -6.544 1.00 0.00 H new ATOM 375 N TRP A 29 -2.740 8.661 -4.888 1.00 0.00 N ATOM 376 CA TRP A 29 -3.317 7.367 -5.236 1.00 0.00 C ATOM 377 C TRP A 29 -2.251 6.425 -5.783 1.00 0.00 C ATOM 378 O TRP A 29 -2.519 5.620 -6.677 1.00 0.00 O ATOM 379 CB TRP A 29 -4.436 7.545 -6.263 1.00 0.00 C ATOM 380 CG TRP A 29 -5.330 8.712 -5.973 1.00 0.00 C ATOM 381 CD1 TRP A 29 -5.746 9.666 -6.857 1.00 0.00 C ATOM 382 CD2 TRP A 29 -5.917 9.048 -4.711 1.00 0.00 C ATOM 383 NE1 TRP A 29 -6.556 10.575 -6.220 1.00 0.00 N ATOM 384 CE2 TRP A 29 -6.678 10.218 -4.903 1.00 0.00 C ATOM 385 CE3 TRP A 29 -5.877 8.473 -3.437 1.00 0.00 C ATOM 386 CZ2 TRP A 29 -7.388 10.822 -3.870 1.00 0.00 C ATOM 387 CZ3 TRP A 29 -6.583 9.074 -2.412 1.00 0.00 C ATOM 388 CH2 TRP A 29 -7.330 10.238 -2.634 1.00 0.00 C ATOM 0 H TRP A 29 -2.714 8.856 -3.887 1.00 0.00 H new ATOM 0 HA TRP A 29 -3.733 6.926 -4.330 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -3.995 7.672 -7.252 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -5.037 6.636 -6.296 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -5.478 9.701 -7.903 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -6.996 11.385 -6.657 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -5.305 7.575 -3.257 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -7.964 11.720 -4.038 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -6.558 8.639 -1.424 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -7.871 10.684 -1.813 1.00 0.00 H new ATOM 399 N THR A 30 -1.040 6.530 -5.244 1.00 0.00 N ATOM 400 CA THR A 30 0.066 5.687 -5.680 1.00 0.00 C ATOM 401 C THR A 30 0.206 4.458 -4.789 1.00 0.00 C ATOM 402 O THR A 30 0.811 4.522 -3.719 1.00 0.00 O ATOM 403 CB THR A 30 1.396 6.463 -5.679 1.00 0.00 C ATOM 404 OG1 THR A 30 1.329 7.553 -6.605 1.00 0.00 O ATOM 405 CG2 THR A 30 2.556 5.549 -6.046 1.00 0.00 C ATOM 0 H THR A 30 -0.801 7.191 -4.505 1.00 0.00 H new ATOM 0 HA THR A 30 -0.160 5.369 -6.698 1.00 0.00 H new ATOM 0 HB THR A 30 1.564 6.851 -4.674 1.00 0.00 H new ATOM 0 HG1 THR A 30 1.646 8.372 -6.170 1.00 0.00 H new ATOM 0 HG21 THR A 30 3.485 6.119 -6.039 1.00 0.00 H new ATOM 0 HG22 THR A 30 2.623 4.737 -5.322 1.00 0.00 H new ATOM 0 HG23 THR A 30 2.392 5.135 -7.041 1.00 0.00 H new ATOM 413 N PHE A 31 -0.357 3.341 -5.237 1.00 0.00 N ATOM 414 CA PHE A 31 -0.295 2.097 -4.479 1.00 0.00 C ATOM 415 C PHE A 31 0.931 1.279 -4.876 1.00 0.00 C ATOM 416 O PHE A 31 1.478 1.449 -5.967 1.00 0.00 O ATOM 417 CB PHE A 31 -1.565 1.275 -4.703 1.00 0.00 C ATOM 418 CG PHE A 31 -1.606 0.585 -6.036 1.00 0.00 C ATOM 419 CD1 PHE A 31 -1.949 1.284 -7.182 1.00 0.00 C ATOM 420 CD2 PHE A 31 -1.303 -0.762 -6.144 1.00 0.00 C ATOM 421 CE1 PHE A 31 -1.987 0.654 -8.411 1.00 0.00 C ATOM 422 CE2 PHE A 31 -1.340 -1.399 -7.370 1.00 0.00 C ATOM 423 CZ PHE A 31 -1.683 -0.691 -8.505 1.00 0.00 C ATOM 0 H PHE A 31 -0.861 3.272 -6.121 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.215 2.348 -3.421 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -1.648 0.528 -3.914 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -2.432 1.930 -4.615 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -2.190 2.335 -7.114 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -1.035 -1.321 -5.260 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -2.254 1.212 -9.297 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -1.101 -2.450 -7.440 1.00 0.00 H new ATOM 0 HZ PHE A 31 -1.714 -1.187 -9.464 1.00 0.00 H new ATOM 433 N LEU A 32 1.356 0.391 -3.984 1.00 0.00 N ATOM 434 CA LEU A 32 2.517 -0.454 -4.241 1.00 0.00 C ATOM 435 C LEU A 32 2.532 -1.657 -3.302 1.00 0.00 C ATOM 436 O LEU A 32 2.279 -1.526 -2.104 1.00 0.00 O ATOM 437 CB LEU A 32 3.807 0.352 -4.076 1.00 0.00 C ATOM 438 CG LEU A 32 4.257 0.611 -2.637 1.00 0.00 C ATOM 439 CD1 LEU A 32 5.147 -0.520 -2.145 1.00 0.00 C ATOM 440 CD2 LEU A 32 4.983 1.944 -2.538 1.00 0.00 C ATOM 0 H LEU A 32 0.915 0.238 -3.077 1.00 0.00 H new ATOM 0 HA LEU A 32 2.452 -0.817 -5.267 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.608 -0.172 -4.597 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.678 1.313 -4.574 1.00 0.00 H new ATOM 0 HG LEU A 32 3.372 0.653 -2.001 1.00 0.00 H new ATOM 0 HD11 LEU A 32 5.458 -0.319 -1.120 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.594 -1.459 -2.179 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.028 -0.594 -2.783 1.00 0.00 H new ATOM 0 HD21 LEU A 32 5.296 2.112 -1.508 1.00 0.00 H new ATOM 0 HD22 LEU A 32 5.859 1.930 -3.186 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.314 2.746 -2.850 1.00 0.00 H new ATOM 452 N VAL A 33 2.833 -2.828 -3.854 1.00 0.00 N ATOM 453 CA VAL A 33 2.885 -4.054 -3.066 1.00 0.00 C ATOM 454 C VAL A 33 4.319 -4.396 -2.677 1.00 0.00 C ATOM 455 O VAL A 33 5.258 -4.120 -3.424 1.00 0.00 O ATOM 456 CB VAL A 33 2.275 -5.241 -3.834 1.00 0.00 C ATOM 457 CG1 VAL A 33 2.028 -6.414 -2.897 1.00 0.00 C ATOM 458 CG2 VAL A 33 0.987 -4.822 -4.527 1.00 0.00 C ATOM 0 H VAL A 33 3.045 -2.954 -4.844 1.00 0.00 H new ATOM 0 HA VAL A 33 2.300 -3.876 -2.164 1.00 0.00 H new ATOM 0 HB VAL A 33 2.985 -5.560 -4.597 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.597 -7.243 -3.458 1.00 0.00 H new ATOM 0 HG12 VAL A 33 2.972 -6.729 -2.452 1.00 0.00 H new ATOM 0 HG13 VAL A 33 1.338 -6.111 -2.109 1.00 0.00 H new ATOM 0 HG21 VAL A 33 0.570 -5.673 -5.065 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.270 -4.476 -3.783 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.198 -4.016 -5.230 1.00 0.00 H new ATOM 468 N ARG A 34 4.480 -5.002 -1.505 1.00 0.00 N ATOM 469 CA ARG A 34 5.800 -5.382 -1.017 1.00 0.00 C ATOM 470 C ARG A 34 5.692 -6.453 0.065 1.00 0.00 C ATOM 471 O ARG A 34 4.724 -6.485 0.825 1.00 0.00 O ATOM 472 CB ARG A 34 6.535 -4.158 -0.465 1.00 0.00 C ATOM 473 CG ARG A 34 5.997 -3.677 0.872 1.00 0.00 C ATOM 474 CD ARG A 34 6.557 -2.310 1.238 1.00 0.00 C ATOM 475 NE ARG A 34 5.761 -1.651 2.270 1.00 0.00 N ATOM 476 CZ ARG A 34 5.794 -1.993 3.553 1.00 0.00 C ATOM 477 NH1 ARG A 34 6.579 -2.981 3.959 1.00 0.00 N ATOM 478 NH2 ARG A 34 5.041 -1.346 4.433 1.00 0.00 N ATOM 0 H ARG A 34 3.713 -5.240 -0.876 1.00 0.00 H new ATOM 0 HA ARG A 34 6.365 -5.791 -1.854 1.00 0.00 H new ATOM 0 HB2 ARG A 34 7.593 -4.398 -0.356 1.00 0.00 H new ATOM 0 HB3 ARG A 34 6.465 -3.346 -1.189 1.00 0.00 H new ATOM 0 HG2 ARG A 34 4.909 -3.627 0.831 1.00 0.00 H new ATOM 0 HG3 ARG A 34 6.254 -4.397 1.649 1.00 0.00 H new ATOM 0 HD2 ARG A 34 7.584 -2.420 1.587 1.00 0.00 H new ATOM 0 HD3 ARG A 34 6.589 -1.681 0.348 1.00 0.00 H new ATOM 0 HE ARG A 34 5.146 -0.887 1.990 1.00 0.00 H new ATOM 0 HH11 ARG A 34 7.160 -3.481 3.286 1.00 0.00 H new ATOM 0 HH12 ARG A 34 6.602 -3.242 4.945 1.00 0.00 H new ATOM 0 HH21 ARG A 34 4.436 -0.585 4.125 1.00 0.00 H new ATOM 0 HH22 ARG A 34 5.067 -1.610 5.418 1.00 0.00 H new ATOM 492 N GLU A 35 6.690 -7.328 0.126 1.00 0.00 N ATOM 493 CA GLU A 35 6.706 -8.402 1.112 1.00 0.00 C ATOM 494 C GLU A 35 6.778 -7.837 2.529 1.00 0.00 C ATOM 495 O GLU A 35 7.573 -6.941 2.811 1.00 0.00 O ATOM 496 CB GLU A 35 7.890 -9.337 0.863 1.00 0.00 C ATOM 497 CG GLU A 35 7.745 -10.180 -0.393 1.00 0.00 C ATOM 498 CD GLU A 35 9.023 -10.914 -0.754 1.00 0.00 C ATOM 499 OE1 GLU A 35 10.084 -10.259 -0.824 1.00 0.00 O ATOM 500 OE2 GLU A 35 8.961 -12.142 -0.966 1.00 0.00 O ATOM 0 H GLU A 35 7.498 -7.314 -0.496 1.00 0.00 H new ATOM 0 HA GLU A 35 5.780 -8.968 1.011 1.00 0.00 H new ATOM 0 HB2 GLU A 35 8.802 -8.744 0.789 1.00 0.00 H new ATOM 0 HB3 GLU A 35 8.008 -9.997 1.722 1.00 0.00 H new ATOM 0 HG2 GLU A 35 6.943 -10.904 -0.250 1.00 0.00 H new ATOM 0 HG3 GLU A 35 7.451 -9.539 -1.224 1.00 0.00 H new ATOM 507 N SER A 36 5.943 -8.370 3.415 1.00 0.00 N ATOM 508 CA SER A 36 5.909 -7.917 4.801 1.00 0.00 C ATOM 509 C SER A 36 7.117 -8.440 5.572 1.00 0.00 C ATOM 510 O SER A 36 7.585 -9.554 5.334 1.00 0.00 O ATOM 511 CB SER A 36 4.617 -8.378 5.479 1.00 0.00 C ATOM 512 OG SER A 36 4.445 -7.741 6.733 1.00 0.00 O ATOM 0 H SER A 36 5.281 -9.115 3.198 1.00 0.00 H new ATOM 0 HA SER A 36 5.942 -6.828 4.803 1.00 0.00 H new ATOM 0 HB2 SER A 36 3.766 -8.157 4.835 1.00 0.00 H new ATOM 0 HB3 SER A 36 4.640 -9.459 5.617 1.00 0.00 H new ATOM 0 HG SER A 36 3.612 -8.051 7.146 1.00 0.00 H new ATOM 586 N ASP A 42 2.772 -13.039 5.161 1.00 0.00 N ATOM 587 CA ASP A 42 1.820 -11.941 5.032 1.00 0.00 C ATOM 588 C ASP A 42 2.364 -10.856 4.108 1.00 0.00 C ATOM 589 O ASP A 42 3.575 -10.742 3.913 1.00 0.00 O ATOM 590 CB ASP A 42 1.503 -11.349 6.406 1.00 0.00 C ATOM 591 CG ASP A 42 0.602 -12.247 7.231 1.00 0.00 C ATOM 592 OD1 ASP A 42 1.010 -13.391 7.521 1.00 0.00 O ATOM 593 OD2 ASP A 42 -0.510 -11.805 7.587 1.00 0.00 O ATOM 0 HA ASP A 42 0.903 -12.337 4.596 1.00 0.00 H new ATOM 0 HB2 ASP A 42 2.433 -11.177 6.947 1.00 0.00 H new ATOM 0 HB3 ASP A 42 1.024 -10.378 6.278 1.00 0.00 H new ATOM 598 N PHE A 43 1.462 -10.062 3.542 1.00 0.00 N ATOM 599 CA PHE A 43 1.852 -8.986 2.638 1.00 0.00 C ATOM 600 C PHE A 43 1.384 -7.634 3.166 1.00 0.00 C ATOM 601 O PHE A 43 0.601 -7.562 4.113 1.00 0.00 O ATOM 602 CB PHE A 43 1.272 -9.229 1.243 1.00 0.00 C ATOM 603 CG PHE A 43 1.659 -10.556 0.655 1.00 0.00 C ATOM 604 CD1 PHE A 43 1.235 -11.737 1.242 1.00 0.00 C ATOM 605 CD2 PHE A 43 2.446 -10.621 -0.483 1.00 0.00 C ATOM 606 CE1 PHE A 43 1.589 -12.961 0.703 1.00 0.00 C ATOM 607 CE2 PHE A 43 2.803 -11.842 -1.026 1.00 0.00 C ATOM 608 CZ PHE A 43 2.375 -13.012 -0.431 1.00 0.00 C ATOM 0 H PHE A 43 0.456 -10.143 3.693 1.00 0.00 H new ATOM 0 HA PHE A 43 2.940 -8.975 2.576 1.00 0.00 H new ATOM 0 HB2 PHE A 43 0.185 -9.167 1.294 1.00 0.00 H new ATOM 0 HB3 PHE A 43 1.606 -8.434 0.576 1.00 0.00 H new ATOM 0 HD1 PHE A 43 0.621 -11.702 2.130 1.00 0.00 H new ATOM 0 HD2 PHE A 43 2.784 -9.709 -0.951 1.00 0.00 H new ATOM 0 HE1 PHE A 43 1.251 -13.875 1.168 1.00 0.00 H new ATOM 0 HE2 PHE A 43 3.416 -11.880 -1.914 1.00 0.00 H new ATOM 0 HZ PHE A 43 2.655 -13.966 -0.852 1.00 0.00 H new ATOM 618 N VAL A 44 1.871 -6.562 2.548 1.00 0.00 N ATOM 619 CA VAL A 44 1.503 -5.211 2.956 1.00 0.00 C ATOM 620 C VAL A 44 1.168 -4.345 1.748 1.00 0.00 C ATOM 621 O VAL A 44 1.825 -4.428 0.709 1.00 0.00 O ATOM 622 CB VAL A 44 2.634 -4.539 3.758 1.00 0.00 C ATOM 623 CG1 VAL A 44 2.379 -3.046 3.891 1.00 0.00 C ATOM 624 CG2 VAL A 44 2.775 -5.189 5.126 1.00 0.00 C ATOM 0 H VAL A 44 2.521 -6.603 1.763 1.00 0.00 H new ATOM 0 HA VAL A 44 0.622 -5.301 3.591 1.00 0.00 H new ATOM 0 HB VAL A 44 3.571 -4.676 3.218 1.00 0.00 H new ATOM 0 HG11 VAL A 44 3.188 -2.588 4.460 1.00 0.00 H new ATOM 0 HG12 VAL A 44 2.332 -2.595 2.900 1.00 0.00 H new ATOM 0 HG13 VAL A 44 1.434 -2.883 4.409 1.00 0.00 H new ATOM 0 HG21 VAL A 44 3.578 -4.702 5.679 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.840 -5.084 5.677 1.00 0.00 H new ATOM 0 HG23 VAL A 44 3.008 -6.247 5.004 1.00 0.00 H new ATOM 634 N LEU A 45 0.141 -3.514 1.889 1.00 0.00 N ATOM 635 CA LEU A 45 -0.283 -2.630 0.808 1.00 0.00 C ATOM 636 C LEU A 45 -0.138 -1.167 1.212 1.00 0.00 C ATOM 637 O LEU A 45 -0.790 -0.703 2.148 1.00 0.00 O ATOM 638 CB LEU A 45 -1.734 -2.923 0.423 1.00 0.00 C ATOM 639 CG LEU A 45 -2.407 -1.896 -0.488 1.00 0.00 C ATOM 640 CD1 LEU A 45 -1.812 -1.951 -1.887 1.00 0.00 C ATOM 641 CD2 LEU A 45 -3.910 -2.129 -0.536 1.00 0.00 C ATOM 0 H LEU A 45 -0.414 -3.434 2.741 1.00 0.00 H new ATOM 0 HA LEU A 45 0.360 -2.815 -0.053 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.769 -3.894 -0.070 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -2.321 -3.008 1.337 1.00 0.00 H new ATOM 0 HG LEU A 45 -2.226 -0.902 -0.078 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -2.304 -1.213 -2.521 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.745 -1.734 -1.837 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.960 -2.946 -2.307 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -4.372 -1.389 -1.189 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.111 -3.129 -0.921 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.325 -2.037 0.468 1.00 0.00 H new ATOM 653 N SER A 46 0.721 -0.444 0.500 1.00 0.00 N ATOM 654 CA SER A 46 0.953 0.967 0.787 1.00 0.00 C ATOM 655 C SER A 46 0.366 1.848 -0.313 1.00 0.00 C ATOM 656 O SER A 46 0.424 1.507 -1.494 1.00 0.00 O ATOM 657 CB SER A 46 2.451 1.240 0.928 1.00 0.00 C ATOM 658 OG SER A 46 3.080 0.238 1.710 1.00 0.00 O ATOM 0 H SER A 46 1.267 -0.812 -0.279 1.00 0.00 H new ATOM 0 HA SER A 46 0.456 1.208 1.727 1.00 0.00 H new ATOM 0 HB2 SER A 46 2.912 1.278 -0.059 1.00 0.00 H new ATOM 0 HB3 SER A 46 2.604 2.216 1.389 1.00 0.00 H new ATOM 0 HG SER A 46 3.848 0.624 2.180 1.00 0.00 H new ATOM 664 N VAL A 47 -0.199 2.983 0.087 1.00 0.00 N ATOM 665 CA VAL A 47 -0.797 3.914 -0.863 1.00 0.00 C ATOM 666 C VAL A 47 -0.574 5.358 -0.431 1.00 0.00 C ATOM 667 O VAL A 47 -0.696 5.691 0.750 1.00 0.00 O ATOM 668 CB VAL A 47 -2.309 3.664 -1.019 1.00 0.00 C ATOM 669 CG1 VAL A 47 -2.935 4.719 -1.918 1.00 0.00 C ATOM 670 CG2 VAL A 47 -2.564 2.268 -1.565 1.00 0.00 C ATOM 0 H VAL A 47 -0.255 3.280 1.061 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.308 3.745 -1.822 1.00 0.00 H new ATOM 0 HB VAL A 47 -2.775 3.736 -0.036 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -4.003 4.526 -2.016 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.783 5.706 -1.481 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -2.468 4.682 -2.902 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -3.637 2.108 -1.669 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -2.086 2.165 -2.539 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -2.152 1.528 -0.879 1.00 0.00 H new ATOM 680 N LEU A 48 -0.246 6.214 -1.392 1.00 0.00 N ATOM 681 CA LEU A 48 -0.006 7.625 -1.111 1.00 0.00 C ATOM 682 C LEU A 48 -1.272 8.447 -1.330 1.00 0.00 C ATOM 683 O LEU A 48 -1.577 8.849 -2.453 1.00 0.00 O ATOM 684 CB LEU A 48 1.121 8.157 -1.998 1.00 0.00 C ATOM 685 CG LEU A 48 1.713 9.509 -1.594 1.00 0.00 C ATOM 686 CD1 LEU A 48 2.395 9.409 -0.238 1.00 0.00 C ATOM 687 CD2 LEU A 48 2.691 10.001 -2.650 1.00 0.00 C ATOM 0 H LEU A 48 -0.140 5.956 -2.373 1.00 0.00 H new ATOM 0 HA LEU A 48 0.288 7.717 -0.066 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.924 7.421 -2.011 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.746 8.238 -3.018 1.00 0.00 H new ATOM 0 HG LEU A 48 0.900 10.231 -1.517 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.810 10.380 0.033 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.667 9.103 0.514 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.197 8.673 -0.288 1.00 0.00 H new ATOM 0 HD21 LEU A 48 3.102 10.964 -2.345 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.501 9.280 -2.760 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.172 10.113 -3.602 1.00 0.00 H new ATOM 699 N SER A 49 -2.004 8.697 -0.249 1.00 0.00 N ATOM 700 CA SER A 49 -3.239 9.470 -0.323 1.00 0.00 C ATOM 701 C SER A 49 -2.990 10.829 -0.971 1.00 0.00 C ATOM 702 O SER A 49 -1.856 11.305 -1.024 1.00 0.00 O ATOM 703 CB SER A 49 -3.831 9.659 1.074 1.00 0.00 C ATOM 704 OG SER A 49 -2.853 10.134 1.983 1.00 0.00 O ATOM 0 H SER A 49 -1.763 8.376 0.689 1.00 0.00 H new ATOM 0 HA SER A 49 -3.949 8.918 -0.939 1.00 0.00 H new ATOM 0 HB2 SER A 49 -4.662 10.363 1.028 1.00 0.00 H new ATOM 0 HB3 SER A 49 -4.235 8.712 1.432 1.00 0.00 H new ATOM 0 HG SER A 49 -1.964 9.844 1.689 1.00 0.00 H new ATOM 710 N ASP A 50 -4.059 11.446 -1.461 1.00 0.00 N ATOM 711 CA ASP A 50 -3.959 12.752 -2.105 1.00 0.00 C ATOM 712 C ASP A 50 -3.964 13.871 -1.069 1.00 0.00 C ATOM 713 O ASP A 50 -3.910 15.050 -1.415 1.00 0.00 O ATOM 714 CB ASP A 50 -5.111 12.947 -3.091 1.00 0.00 C ATOM 715 CG ASP A 50 -5.230 14.382 -3.565 1.00 0.00 C ATOM 716 OD1 ASP A 50 -4.182 15.018 -3.798 1.00 0.00 O ATOM 717 OD2 ASP A 50 -6.372 14.869 -3.704 1.00 0.00 O ATOM 0 H ASP A 50 -5.004 11.064 -1.425 1.00 0.00 H new ATOM 0 HA ASP A 50 -3.015 12.790 -2.649 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -4.964 12.294 -3.951 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -6.045 12.645 -2.618 1.00 0.00 H new ATOM 722 N GLN A 51 -4.031 13.492 0.203 1.00 0.00 N ATOM 723 CA GLN A 51 -4.045 14.464 1.290 1.00 0.00 C ATOM 724 C GLN A 51 -2.632 14.745 1.788 1.00 0.00 C ATOM 725 O GLN A 51 -1.956 13.873 2.336 1.00 0.00 O ATOM 726 CB GLN A 51 -4.915 13.959 2.443 1.00 0.00 C ATOM 727 CG GLN A 51 -6.407 14.073 2.175 1.00 0.00 C ATOM 728 CD GLN A 51 -7.245 13.774 3.403 1.00 0.00 C ATOM 729 OE1 GLN A 51 -6.813 13.999 4.534 1.00 0.00 O ATOM 730 NE2 GLN A 51 -8.451 13.262 3.186 1.00 0.00 N ATOM 0 H GLN A 51 -4.076 12.519 0.506 1.00 0.00 H new ATOM 0 HA GLN A 51 -4.466 15.393 0.907 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -4.669 12.916 2.643 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -4.672 14.522 3.344 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -6.633 15.079 1.822 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -6.682 13.385 1.376 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -8.769 13.092 2.232 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -9.060 13.039 3.974 1.00 0.00 H new ATOM 739 N PRO A 52 -2.172 15.990 1.596 1.00 0.00 N ATOM 740 CA PRO A 52 -0.834 16.413 2.019 1.00 0.00 C ATOM 741 C PRO A 52 -0.705 16.496 3.536 1.00 0.00 C ATOM 742 O PRO A 52 -1.678 16.769 4.239 1.00 0.00 O ATOM 743 CB PRO A 52 -0.688 17.803 1.394 1.00 0.00 C ATOM 744 CG PRO A 52 -2.086 18.296 1.234 1.00 0.00 C ATOM 745 CD PRO A 52 -2.923 17.079 0.951 1.00 0.00 C ATOM 0 HA PRO A 52 -0.065 15.706 1.706 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -0.105 18.466 2.034 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -0.174 17.753 0.434 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -2.427 18.803 2.137 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -2.155 19.016 0.418 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -3.926 17.176 1.366 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -3.036 16.910 -0.120 1.00 0.00 H new ATOM 753 N LYS A 53 0.503 16.258 4.036 1.00 0.00 N ATOM 754 CA LYS A 53 0.761 16.306 5.470 1.00 0.00 C ATOM 755 C LYS A 53 0.396 17.671 6.043 1.00 0.00 C ATOM 756 O LYS A 53 -0.177 17.767 7.128 1.00 0.00 O ATOM 757 CB LYS A 53 2.233 15.999 5.755 1.00 0.00 C ATOM 758 CG LYS A 53 2.533 14.516 5.879 1.00 0.00 C ATOM 759 CD LYS A 53 3.795 14.267 6.687 1.00 0.00 C ATOM 760 CE LYS A 53 3.496 14.183 8.177 1.00 0.00 C ATOM 761 NZ LYS A 53 4.742 14.143 8.991 1.00 0.00 N ATOM 0 H LYS A 53 1.319 16.030 3.469 1.00 0.00 H new ATOM 0 HA LYS A 53 0.139 15.551 5.951 1.00 0.00 H new ATOM 0 HB2 LYS A 53 2.844 16.419 4.956 1.00 0.00 H new ATOM 0 HB3 LYS A 53 2.527 16.499 6.678 1.00 0.00 H new ATOM 0 HG2 LYS A 53 1.691 14.012 6.354 1.00 0.00 H new ATOM 0 HG3 LYS A 53 2.645 14.082 4.885 1.00 0.00 H new ATOM 0 HD2 LYS A 53 4.263 13.340 6.356 1.00 0.00 H new ATOM 0 HD3 LYS A 53 4.510 15.069 6.503 1.00 0.00 H new ATOM 0 HE2 LYS A 53 2.894 15.042 8.476 1.00 0.00 H new ATOM 0 HE3 LYS A 53 2.902 13.292 8.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 4.496 14.086 10.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 5.304 13.310 8.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 5.297 15.005 8.818 1.00 0.00 H new ATOM 775 N ALA A 54 0.730 18.726 5.306 1.00 0.00 N ATOM 776 CA ALA A 54 0.433 20.086 5.739 1.00 0.00 C ATOM 777 C ALA A 54 -0.312 20.857 4.655 1.00 0.00 C ATOM 778 O ALA A 54 -1.298 21.539 4.931 1.00 0.00 O ATOM 779 CB ALA A 54 1.716 20.810 6.119 1.00 0.00 C ATOM 0 H ALA A 54 1.206 18.665 4.406 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.212 20.030 6.616 1.00 0.00 H new ATOM 0 HB1 ALA A 54 1.480 21.824 6.440 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.207 20.277 6.933 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.381 20.848 5.256 1.00 0.00 H new ATOM 785 N GLY A 55 0.169 20.745 3.420 1.00 0.00 N ATOM 786 CA GLY A 55 -0.465 21.439 2.314 1.00 0.00 C ATOM 787 C GLY A 55 0.308 21.288 1.017 1.00 0.00 C ATOM 788 O GLY A 55 0.927 20.257 0.756 1.00 0.00 O ATOM 0 H GLY A 55 0.985 20.187 3.166 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -1.476 21.054 2.178 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -0.557 22.497 2.558 1.00 0.00 H new ATOM 792 N PRO A 56 0.273 22.334 0.179 1.00 0.00 N ATOM 793 CA PRO A 56 0.969 22.338 -1.112 1.00 0.00 C ATOM 794 C PRO A 56 2.484 22.389 -0.953 1.00 0.00 C ATOM 795 O PRO A 56 3.074 23.465 -0.870 1.00 0.00 O ATOM 796 CB PRO A 56 0.459 23.613 -1.787 1.00 0.00 C ATOM 797 CG PRO A 56 0.059 24.503 -0.661 1.00 0.00 C ATOM 798 CD PRO A 56 -0.446 23.595 0.425 1.00 0.00 C ATOM 0 HA PRO A 56 0.773 21.430 -1.683 1.00 0.00 H new ATOM 0 HB2 PRO A 56 1.234 24.074 -2.400 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -0.385 23.403 -2.445 1.00 0.00 H new ATOM 0 HG2 PRO A 56 0.905 25.095 -0.312 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -0.714 25.205 -0.974 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -0.229 23.994 1.416 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -1.526 23.460 0.366 1.00 0.00 H new ATOM 806 N GLY A 57 3.111 21.216 -0.912 1.00 0.00 N ATOM 807 CA GLY A 57 4.554 21.150 -0.763 1.00 0.00 C ATOM 808 C GLY A 57 4.995 19.984 0.097 1.00 0.00 C ATOM 809 O GLY A 57 6.076 19.430 -0.103 1.00 0.00 O ATOM 0 H GLY A 57 2.645 20.311 -0.979 1.00 0.00 H new ATOM 0 HA2 GLY A 57 5.014 21.066 -1.747 1.00 0.00 H new ATOM 0 HA3 GLY A 57 4.913 22.079 -0.321 1.00 0.00 H new ATOM 813 N SER A 58 4.157 19.610 1.060 1.00 0.00 N ATOM 814 CA SER A 58 4.470 18.505 1.958 1.00 0.00 C ATOM 815 C SER A 58 4.261 17.163 1.263 1.00 0.00 C ATOM 816 O SER A 58 3.469 17.036 0.329 1.00 0.00 O ATOM 817 CB SER A 58 3.602 18.581 3.216 1.00 0.00 C ATOM 818 OG SER A 58 2.224 18.549 2.886 1.00 0.00 O ATOM 0 H SER A 58 3.257 20.056 1.238 1.00 0.00 H new ATOM 0 HA SER A 58 5.519 18.587 2.243 1.00 0.00 H new ATOM 0 HB2 SER A 58 3.840 17.748 3.877 1.00 0.00 H new ATOM 0 HB3 SER A 58 3.827 19.497 3.763 1.00 0.00 H new ATOM 0 HG SER A 58 1.990 17.661 2.544 1.00 0.00 H new ATOM 824 N PRO A 59 4.989 16.137 1.728 1.00 0.00 N ATOM 825 CA PRO A 59 4.901 14.785 1.166 1.00 0.00 C ATOM 826 C PRO A 59 3.569 14.113 1.480 1.00 0.00 C ATOM 827 O PRO A 59 3.261 13.835 2.641 1.00 0.00 O ATOM 828 CB PRO A 59 6.051 14.042 1.850 1.00 0.00 C ATOM 829 CG PRO A 59 6.269 14.774 3.128 1.00 0.00 C ATOM 830 CD PRO A 59 5.952 16.216 2.838 1.00 0.00 C ATOM 0 HA PRO A 59 4.966 14.790 0.078 1.00 0.00 H new ATOM 0 HB2 PRO A 59 5.796 12.998 2.031 1.00 0.00 H new ATOM 0 HB3 PRO A 59 6.949 14.048 1.232 1.00 0.00 H new ATOM 0 HG2 PRO A 59 5.625 14.384 3.916 1.00 0.00 H new ATOM 0 HG3 PRO A 59 7.297 14.662 3.472 1.00 0.00 H new ATOM 0 HD2 PRO A 59 5.524 16.716 3.707 1.00 0.00 H new ATOM 0 HD3 PRO A 59 6.845 16.775 2.557 1.00 0.00 H new ATOM 838 N LEU A 60 2.784 13.851 0.442 1.00 0.00 N ATOM 839 CA LEU A 60 1.485 13.208 0.607 1.00 0.00 C ATOM 840 C LEU A 60 1.536 12.151 1.705 1.00 0.00 C ATOM 841 O LEU A 60 2.568 11.516 1.921 1.00 0.00 O ATOM 842 CB LEU A 60 1.037 12.572 -0.710 1.00 0.00 C ATOM 843 CG LEU A 60 0.478 13.530 -1.763 1.00 0.00 C ATOM 844 CD1 LEU A 60 0.083 12.770 -3.019 1.00 0.00 C ATOM 845 CD2 LEU A 60 -0.710 14.300 -1.206 1.00 0.00 C ATOM 0 H LEU A 60 3.024 14.074 -0.524 1.00 0.00 H new ATOM 0 HA LEU A 60 0.764 13.972 0.897 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.887 12.044 -1.143 1.00 0.00 H new ATOM 0 HB3 LEU A 60 0.276 11.824 -0.488 1.00 0.00 H new ATOM 0 HG LEU A 60 1.257 14.245 -2.027 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -0.313 13.468 -3.757 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.958 12.265 -3.429 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.680 12.031 -2.773 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -1.095 14.977 -1.969 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.493 13.600 -0.914 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.395 14.876 -0.336 1.00 0.00 H new ATOM 857 N ARG A 61 0.415 11.966 2.394 1.00 0.00 N ATOM 858 CA ARG A 61 0.331 10.984 3.468 1.00 0.00 C ATOM 859 C ARG A 61 0.315 9.564 2.908 1.00 0.00 C ATOM 860 O ARG A 61 -0.243 9.314 1.840 1.00 0.00 O ATOM 861 CB ARG A 61 -0.921 11.225 4.312 1.00 0.00 C ATOM 862 CG ARG A 61 -0.768 10.803 5.765 1.00 0.00 C ATOM 863 CD ARG A 61 -0.228 11.939 6.620 1.00 0.00 C ATOM 864 NE ARG A 61 0.126 11.491 7.964 1.00 0.00 N ATOM 865 CZ ARG A 61 1.223 10.795 8.242 1.00 0.00 C ATOM 866 NH1 ARG A 61 2.068 10.470 7.274 1.00 0.00 N ATOM 867 NH2 ARG A 61 1.477 10.424 9.489 1.00 0.00 N ATOM 0 H ARG A 61 -0.448 12.484 2.227 1.00 0.00 H new ATOM 0 HA ARG A 61 1.213 11.097 4.098 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -1.175 12.284 4.275 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -1.756 10.681 3.871 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -1.733 10.480 6.155 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -0.096 9.947 5.828 1.00 0.00 H new ATOM 0 HD2 ARG A 61 0.650 12.370 6.138 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -0.975 12.730 6.686 1.00 0.00 H new ATOM 0 HE ARG A 61 -0.504 11.725 8.732 1.00 0.00 H new ATOM 0 HH11 ARG A 61 1.877 10.754 6.313 1.00 0.00 H new ATOM 0 HH12 ARG A 61 2.910 9.936 7.490 1.00 0.00 H new ATOM 0 HH21 ARG A 61 0.830 10.673 10.237 1.00 0.00 H new ATOM 0 HH22 ARG A 61 2.320 9.890 9.701 1.00 0.00 H new ATOM 881 N VAL A 62 0.931 8.638 3.637 1.00 0.00 N ATOM 882 CA VAL A 62 0.987 7.245 3.214 1.00 0.00 C ATOM 883 C VAL A 62 0.102 6.368 4.093 1.00 0.00 C ATOM 884 O VAL A 62 0.029 6.559 5.307 1.00 0.00 O ATOM 885 CB VAL A 62 2.429 6.703 3.253 1.00 0.00 C ATOM 886 CG1 VAL A 62 2.537 5.414 2.454 1.00 0.00 C ATOM 887 CG2 VAL A 62 3.403 7.748 2.731 1.00 0.00 C ATOM 0 H VAL A 62 1.398 8.829 4.524 1.00 0.00 H new ATOM 0 HA VAL A 62 0.622 7.211 2.187 1.00 0.00 H new ATOM 0 HB VAL A 62 2.689 6.482 4.288 1.00 0.00 H new ATOM 0 HG11 VAL A 62 3.562 5.046 2.493 1.00 0.00 H new ATOM 0 HG12 VAL A 62 1.867 4.666 2.878 1.00 0.00 H new ATOM 0 HG13 VAL A 62 2.259 5.604 1.417 1.00 0.00 H new ATOM 0 HG21 VAL A 62 4.417 7.350 2.765 1.00 0.00 H new ATOM 0 HG22 VAL A 62 3.147 8.002 1.702 1.00 0.00 H new ATOM 0 HG23 VAL A 62 3.344 8.643 3.351 1.00 0.00 H new ATOM 897 N THR A 63 -0.570 5.404 3.471 1.00 0.00 N ATOM 898 CA THR A 63 -1.451 4.496 4.196 1.00 0.00 C ATOM 899 C THR A 63 -0.936 3.063 4.134 1.00 0.00 C ATOM 900 O THR A 63 -0.957 2.430 3.079 1.00 0.00 O ATOM 901 CB THR A 63 -2.885 4.539 3.636 1.00 0.00 C ATOM 902 OG1 THR A 63 -3.407 5.869 3.728 1.00 0.00 O ATOM 903 CG2 THR A 63 -3.791 3.581 4.394 1.00 0.00 C ATOM 0 H THR A 63 -0.521 5.232 2.467 1.00 0.00 H new ATOM 0 HA THR A 63 -1.464 4.829 5.234 1.00 0.00 H new ATOM 0 HB THR A 63 -2.852 4.233 2.590 1.00 0.00 H new ATOM 0 HG1 THR A 63 -4.355 5.832 3.975 1.00 0.00 H new ATOM 0 HG21 THR A 63 -4.798 3.629 3.981 1.00 0.00 H new ATOM 0 HG22 THR A 63 -3.408 2.565 4.298 1.00 0.00 H new ATOM 0 HG23 THR A 63 -3.817 3.861 5.447 1.00 0.00 H new ATOM 911 N HIS A 64 -0.474 2.555 5.273 1.00 0.00 N ATOM 912 CA HIS A 64 0.046 1.195 5.348 1.00 0.00 C ATOM 913 C HIS A 64 -1.017 0.235 5.873 1.00 0.00 C ATOM 914 O HIS A 64 -1.397 0.295 7.043 1.00 0.00 O ATOM 915 CB HIS A 64 1.282 1.147 6.247 1.00 0.00 C ATOM 916 CG HIS A 64 2.268 2.240 5.969 1.00 0.00 C ATOM 917 ND1 HIS A 64 3.284 2.118 5.045 1.00 0.00 N ATOM 918 CD2 HIS A 64 2.388 3.480 6.499 1.00 0.00 C ATOM 919 CE1 HIS A 64 3.988 3.236 5.019 1.00 0.00 C ATOM 920 NE2 HIS A 64 3.465 4.079 5.892 1.00 0.00 N ATOM 0 H HIS A 64 -0.449 3.065 6.156 1.00 0.00 H new ATOM 0 HA HIS A 64 0.326 0.884 4.342 1.00 0.00 H new ATOM 0 HB2 HIS A 64 0.966 1.210 7.288 1.00 0.00 H new ATOM 0 HB3 HIS A 64 1.775 0.183 6.121 1.00 0.00 H new ATOM 0 HD1 HIS A 64 3.464 1.294 4.471 1.00 0.00 H new ATOM 0 HD2 HIS A 64 1.755 3.917 7.257 1.00 0.00 H new ATOM 0 HE1 HIS A 64 4.845 3.428 4.391 1.00 0.00 H new ATOM 929 N ILE A 65 -1.493 -0.647 5.001 1.00 0.00 N ATOM 930 CA ILE A 65 -2.512 -1.619 5.377 1.00 0.00 C ATOM 931 C ILE A 65 -1.962 -3.041 5.323 1.00 0.00 C ATOM 932 O ILE A 65 -1.238 -3.403 4.396 1.00 0.00 O ATOM 933 CB ILE A 65 -3.747 -1.522 4.463 1.00 0.00 C ATOM 934 CG1 ILE A 65 -4.318 -0.103 4.488 1.00 0.00 C ATOM 935 CG2 ILE A 65 -4.803 -2.531 4.890 1.00 0.00 C ATOM 936 CD1 ILE A 65 -5.009 0.293 3.202 1.00 0.00 C ATOM 0 H ILE A 65 -1.189 -0.709 4.029 1.00 0.00 H new ATOM 0 HA ILE A 65 -2.809 -1.386 6.400 1.00 0.00 H new ATOM 0 HB ILE A 65 -3.443 -1.753 3.442 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -5.026 -0.020 5.312 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -3.511 0.601 4.689 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -5.670 -2.450 4.234 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -4.391 -3.538 4.825 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -5.105 -2.329 5.918 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -5.389 1.311 3.292 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -4.299 0.242 2.377 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -5.838 -0.388 3.010 1.00 0.00 H new ATOM 948 N LYS A 66 -2.314 -3.843 6.322 1.00 0.00 N ATOM 949 CA LYS A 66 -1.860 -5.227 6.388 1.00 0.00 C ATOM 950 C LYS A 66 -2.643 -6.103 5.415 1.00 0.00 C ATOM 951 O LYS A 66 -3.824 -5.866 5.163 1.00 0.00 O ATOM 952 CB LYS A 66 -2.011 -5.768 7.812 1.00 0.00 C ATOM 953 CG LYS A 66 -0.946 -5.261 8.770 1.00 0.00 C ATOM 954 CD LYS A 66 -1.372 -3.966 9.442 1.00 0.00 C ATOM 955 CE LYS A 66 -2.121 -4.230 10.739 1.00 0.00 C ATOM 956 NZ LYS A 66 -3.497 -4.744 10.490 1.00 0.00 N ATOM 0 H LYS A 66 -2.912 -3.558 7.097 1.00 0.00 H new ATOM 0 HA LYS A 66 -0.807 -5.252 6.106 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -2.994 -5.492 8.195 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -1.974 -6.857 7.784 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -0.748 -6.018 9.529 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -0.014 -5.101 8.228 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -0.493 -3.355 9.646 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -2.007 -3.395 8.764 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -1.566 -4.952 11.338 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -2.177 -3.310 11.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -4.082 -4.594 11.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -3.917 -4.237 9.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -3.454 -5.760 10.274 1.00 0.00 H new ATOM 970 N VAL A 67 -1.977 -7.118 4.873 1.00 0.00 N ATOM 971 CA VAL A 67 -2.610 -8.032 3.930 1.00 0.00 C ATOM 972 C VAL A 67 -2.512 -9.475 4.412 1.00 0.00 C ATOM 973 O VAL A 67 -1.505 -10.146 4.193 1.00 0.00 O ATOM 974 CB VAL A 67 -1.975 -7.926 2.531 1.00 0.00 C ATOM 975 CG1 VAL A 67 -2.597 -8.939 1.583 1.00 0.00 C ATOM 976 CG2 VAL A 67 -2.120 -6.513 1.986 1.00 0.00 C ATOM 0 H VAL A 67 -0.999 -7.328 5.071 1.00 0.00 H new ATOM 0 HA VAL A 67 -3.659 -7.743 3.867 1.00 0.00 H new ATOM 0 HB VAL A 67 -0.912 -8.151 2.616 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -2.135 -8.849 0.600 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -2.435 -9.946 1.969 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -3.667 -8.750 1.500 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -1.666 -6.456 0.997 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -3.177 -6.257 1.915 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -1.621 -5.812 2.655 1.00 0.00 H new ATOM 986 N MET A 68 -3.567 -9.946 5.071 1.00 0.00 N ATOM 987 CA MET A 68 -3.601 -11.310 5.583 1.00 0.00 C ATOM 988 C MET A 68 -3.807 -12.312 4.450 1.00 0.00 C ATOM 989 O MET A 68 -4.207 -11.940 3.347 1.00 0.00 O ATOM 990 CB MET A 68 -4.713 -11.461 6.622 1.00 0.00 C ATOM 991 CG MET A 68 -4.299 -11.041 8.022 1.00 0.00 C ATOM 992 SD MET A 68 -5.692 -10.960 9.164 1.00 0.00 S ATOM 993 CE MET A 68 -6.742 -9.770 8.335 1.00 0.00 C ATOM 0 H MET A 68 -4.409 -9.403 5.262 1.00 0.00 H new ATOM 0 HA MET A 68 -2.641 -11.517 6.057 1.00 0.00 H new ATOM 0 HB2 MET A 68 -5.572 -10.865 6.312 1.00 0.00 H new ATOM 0 HB3 MET A 68 -5.038 -12.501 6.645 1.00 0.00 H new ATOM 0 HG2 MET A 68 -3.561 -11.746 8.405 1.00 0.00 H new ATOM 0 HG3 MET A 68 -3.815 -10.066 7.976 1.00 0.00 H new ATOM 0 HE1 MET A 68 -7.188 -9.103 9.072 1.00 0.00 H new ATOM 0 HE2 MET A 68 -6.147 -9.188 7.632 1.00 0.00 H new ATOM 0 HE3 MET A 68 -7.531 -10.294 7.796 1.00 0.00 H new ATOM 1003 N CYS A 69 -3.531 -13.580 4.731 1.00 0.00 N ATOM 1004 CA CYS A 69 -3.686 -14.635 3.734 1.00 0.00 C ATOM 1005 C CYS A 69 -4.639 -15.717 4.231 1.00 0.00 C ATOM 1006 O CYS A 69 -4.356 -16.402 5.213 1.00 0.00 O ATOM 1007 CB CYS A 69 -2.327 -15.250 3.399 1.00 0.00 C ATOM 1008 SG CYS A 69 -2.377 -16.464 2.060 1.00 0.00 S ATOM 0 H CYS A 69 -3.199 -13.903 5.640 1.00 0.00 H new ATOM 0 HA CYS A 69 -4.109 -14.191 2.833 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -1.636 -14.452 3.126 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -1.926 -15.727 4.293 1.00 0.00 H new ATOM 0 HG CYS A 69 -3.494 -16.343 1.406 1.00 0.00 H new ATOM 1014 N GLU A 70 -5.769 -15.861 3.547 1.00 0.00 N ATOM 1015 CA GLU A 70 -6.766 -16.859 3.922 1.00 0.00 C ATOM 1016 C GLU A 70 -6.419 -18.223 3.331 1.00 0.00 C ATOM 1017 O GLU A 70 -7.046 -18.673 2.373 1.00 0.00 O ATOM 1018 CB GLU A 70 -8.156 -16.425 3.451 1.00 0.00 C ATOM 1019 CG GLU A 70 -8.914 -15.595 4.475 1.00 0.00 C ATOM 1020 CD GLU A 70 -9.126 -16.335 5.781 1.00 0.00 C ATOM 1021 OE1 GLU A 70 -8.207 -16.327 6.625 1.00 0.00 O ATOM 1022 OE2 GLU A 70 -10.215 -16.922 5.959 1.00 0.00 O ATOM 0 H GLU A 70 -6.018 -15.301 2.732 1.00 0.00 H new ATOM 0 HA GLU A 70 -6.768 -16.943 5.009 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -8.055 -15.849 2.531 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -8.742 -17.312 3.209 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -8.365 -14.673 4.669 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -9.881 -15.309 4.062 1.00 0.00 H new ATOM 1029 N GLY A 71 -5.416 -18.873 3.910 1.00 0.00 N ATOM 1030 CA GLY A 71 -5.002 -20.179 3.427 1.00 0.00 C ATOM 1031 C GLY A 71 -5.057 -20.283 1.916 1.00 0.00 C ATOM 1032 O GLY A 71 -5.865 -21.030 1.368 1.00 0.00 O ATOM 0 H GLY A 71 -4.882 -18.520 4.704 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -3.986 -20.383 3.765 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -5.643 -20.945 3.864 1.00 0.00 H new ATOM 1036 N GLY A 72 -4.195 -19.528 1.241 1.00 0.00 N ATOM 1037 CA GLY A 72 -4.166 -19.552 -0.210 1.00 0.00 C ATOM 1038 C GLY A 72 -4.572 -18.225 -0.820 1.00 0.00 C ATOM 1039 O GLY A 72 -3.964 -17.766 -1.786 1.00 0.00 O ATOM 0 H GLY A 72 -3.517 -18.901 1.673 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -3.162 -19.811 -0.546 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -4.834 -20.334 -0.571 1.00 0.00 H new ATOM 1043 N ARG A 73 -5.605 -17.608 -0.255 1.00 0.00 N ATOM 1044 CA ARG A 73 -6.094 -16.327 -0.751 1.00 0.00 C ATOM 1045 C ARG A 73 -5.603 -15.180 0.128 1.00 0.00 C ATOM 1046 O ARG A 73 -4.887 -15.397 1.106 1.00 0.00 O ATOM 1047 CB ARG A 73 -7.622 -16.326 -0.803 1.00 0.00 C ATOM 1048 CG ARG A 73 -8.205 -17.479 -1.603 1.00 0.00 C ATOM 1049 CD ARG A 73 -8.481 -18.686 -0.719 1.00 0.00 C ATOM 1050 NE ARG A 73 -8.852 -19.862 -1.501 1.00 0.00 N ATOM 1051 CZ ARG A 73 -8.793 -21.104 -1.032 1.00 0.00 C ATOM 1052 NH1 ARG A 73 -8.380 -21.330 0.207 1.00 0.00 N ATOM 1053 NH2 ARG A 73 -9.148 -22.124 -1.803 1.00 0.00 N ATOM 0 H ARG A 73 -6.119 -17.974 0.546 1.00 0.00 H new ATOM 0 HA ARG A 73 -5.703 -16.183 -1.758 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -8.012 -16.367 0.214 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -7.962 -15.386 -1.237 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -9.130 -17.159 -2.083 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -7.513 -17.759 -2.397 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -7.595 -18.910 -0.125 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -9.282 -18.448 -0.020 1.00 0.00 H new ATOM 0 HE ARG A 73 -9.174 -19.723 -2.459 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -8.106 -20.549 0.804 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -8.336 -22.285 0.564 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -9.467 -21.955 -2.757 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -9.102 -23.077 -1.442 1.00 0.00 H new ATOM 1067 N TYR A 74 -5.993 -13.961 -0.226 1.00 0.00 N ATOM 1068 CA TYR A 74 -5.591 -12.780 0.528 1.00 0.00 C ATOM 1069 C TYR A 74 -6.807 -11.955 0.938 1.00 0.00 C ATOM 1070 O TYR A 74 -7.814 -11.918 0.231 1.00 0.00 O ATOM 1071 CB TYR A 74 -4.634 -11.921 -0.300 1.00 0.00 C ATOM 1072 CG TYR A 74 -3.303 -12.586 -0.571 1.00 0.00 C ATOM 1073 CD1 TYR A 74 -2.579 -13.180 0.456 1.00 0.00 C ATOM 1074 CD2 TYR A 74 -2.769 -12.621 -1.853 1.00 0.00 C ATOM 1075 CE1 TYR A 74 -1.363 -13.788 0.214 1.00 0.00 C ATOM 1076 CE2 TYR A 74 -1.554 -13.228 -2.105 1.00 0.00 C ATOM 1077 CZ TYR A 74 -0.855 -13.811 -1.069 1.00 0.00 C ATOM 1078 OH TYR A 74 0.356 -14.416 -1.315 1.00 0.00 O ATOM 0 H TYR A 74 -6.588 -13.765 -1.031 1.00 0.00 H new ATOM 0 HA TYR A 74 -5.080 -13.114 1.431 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -5.109 -11.676 -1.250 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -4.461 -10.980 0.221 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -2.974 -13.166 1.461 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -3.313 -12.166 -2.667 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -0.813 -14.243 1.024 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -1.154 -13.246 -3.108 1.00 0.00 H new ATOM 0 HH TYR A 74 1.079 -13.769 -1.175 1.00 0.00 H new ATOM 1088 N THR A 75 -6.705 -11.294 2.087 1.00 0.00 N ATOM 1089 CA THR A 75 -7.796 -10.470 2.593 1.00 0.00 C ATOM 1090 C THR A 75 -7.266 -9.322 3.446 1.00 0.00 C ATOM 1091 O THR A 75 -6.095 -9.305 3.824 1.00 0.00 O ATOM 1092 CB THR A 75 -8.787 -11.301 3.430 1.00 0.00 C ATOM 1093 OG1 THR A 75 -10.002 -10.567 3.620 1.00 0.00 O ATOM 1094 CG2 THR A 75 -8.187 -11.659 4.781 1.00 0.00 C ATOM 0 H THR A 75 -5.878 -11.313 2.684 1.00 0.00 H new ATOM 0 HA THR A 75 -8.316 -10.065 1.725 1.00 0.00 H new ATOM 0 HB THR A 75 -9.001 -12.224 2.890 1.00 0.00 H new ATOM 0 HG1 THR A 75 -10.768 -11.144 3.417 1.00 0.00 H new ATOM 0 HG21 THR A 75 -8.905 -12.246 5.354 1.00 0.00 H new ATOM 0 HG22 THR A 75 -7.278 -12.242 4.632 1.00 0.00 H new ATOM 0 HG23 THR A 75 -7.947 -10.746 5.326 1.00 0.00 H new ATOM 1102 N VAL A 76 -8.138 -8.363 3.745 1.00 0.00 N ATOM 1103 CA VAL A 76 -7.758 -7.212 4.555 1.00 0.00 C ATOM 1104 C VAL A 76 -8.740 -7.000 5.703 1.00 0.00 C ATOM 1105 O VAL A 76 -9.710 -6.256 5.574 1.00 0.00 O ATOM 1106 CB VAL A 76 -7.690 -5.927 3.709 1.00 0.00 C ATOM 1107 CG1 VAL A 76 -6.519 -5.987 2.741 1.00 0.00 C ATOM 1108 CG2 VAL A 76 -8.999 -5.712 2.962 1.00 0.00 C ATOM 0 H VAL A 76 -9.111 -8.361 3.439 1.00 0.00 H new ATOM 0 HA VAL A 76 -6.769 -7.423 4.960 1.00 0.00 H new ATOM 0 HB VAL A 76 -7.535 -5.080 4.377 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -6.487 -5.071 2.152 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -5.589 -6.091 3.301 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -6.640 -6.842 2.076 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -8.934 -4.800 2.369 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -9.186 -6.560 2.303 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -9.816 -5.622 3.678 1.00 0.00 H new ATOM 1118 N GLY A 77 -8.479 -7.660 6.828 1.00 0.00 N ATOM 1119 CA GLY A 77 -9.348 -7.530 7.982 1.00 0.00 C ATOM 1120 C GLY A 77 -10.659 -8.270 7.807 1.00 0.00 C ATOM 1121 O GLY A 77 -10.967 -9.189 8.566 1.00 0.00 O ATOM 0 H GLY A 77 -7.681 -8.282 6.960 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -8.834 -7.911 8.865 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -9.551 -6.475 8.163 1.00 0.00 H new ATOM 1125 N GLY A 78 -11.434 -7.871 6.804 1.00 0.00 N ATOM 1126 CA GLY A 78 -12.711 -8.512 6.551 1.00 0.00 C ATOM 1127 C GLY A 78 -12.574 -10.004 6.320 1.00 0.00 C ATOM 1128 O GLY A 78 -11.490 -10.568 6.480 1.00 0.00 O ATOM 0 H GLY A 78 -11.200 -7.114 6.161 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -13.376 -8.338 7.397 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -13.178 -8.054 5.679 1.00 0.00 H new ATOM 1132 N LEU A 79 -13.675 -10.646 5.945 1.00 0.00 N ATOM 1133 CA LEU A 79 -13.673 -12.083 5.693 1.00 0.00 C ATOM 1134 C LEU A 79 -13.449 -12.376 4.213 1.00 0.00 C ATOM 1135 O LEU A 79 -13.026 -13.471 3.846 1.00 0.00 O ATOM 1136 CB LEU A 79 -14.995 -12.702 6.153 1.00 0.00 C ATOM 1137 CG LEU A 79 -15.234 -12.730 7.663 1.00 0.00 C ATOM 1138 CD1 LEU A 79 -16.692 -13.034 7.967 1.00 0.00 C ATOM 1139 CD2 LEU A 79 -14.324 -13.754 8.327 1.00 0.00 C ATOM 0 H LEU A 79 -14.580 -10.195 5.809 1.00 0.00 H new ATOM 0 HA LEU A 79 -12.854 -12.526 6.260 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -15.812 -12.152 5.686 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -15.044 -13.725 5.779 1.00 0.00 H new ATOM 0 HG LEU A 79 -14.998 -11.746 8.068 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -16.843 -13.050 9.046 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -17.324 -12.265 7.523 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -16.956 -14.006 7.549 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -14.507 -13.761 9.401 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -14.529 -14.743 7.918 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -13.283 -13.492 8.138 1.00 0.00 H new ATOM 1151 N GLU A 80 -13.734 -11.389 3.370 1.00 0.00 N ATOM 1152 CA GLU A 80 -13.563 -11.542 1.930 1.00 0.00 C ATOM 1153 C GLU A 80 -12.204 -12.158 1.607 1.00 0.00 C ATOM 1154 O GLU A 80 -11.340 -12.275 2.476 1.00 0.00 O ATOM 1155 CB GLU A 80 -13.699 -10.187 1.231 1.00 0.00 C ATOM 1156 CG GLU A 80 -15.129 -9.842 0.848 1.00 0.00 C ATOM 1157 CD GLU A 80 -15.203 -8.912 -0.347 1.00 0.00 C ATOM 1158 OE1 GLU A 80 -14.243 -8.894 -1.146 1.00 0.00 O ATOM 1159 OE2 GLU A 80 -16.221 -8.203 -0.485 1.00 0.00 O ATOM 0 H GLU A 80 -14.084 -10.476 3.659 1.00 0.00 H new ATOM 0 HA GLU A 80 -14.343 -12.211 1.566 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -13.309 -9.408 1.887 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -13.081 -10.187 0.333 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -15.673 -10.760 0.624 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -15.627 -9.376 1.698 1.00 0.00 H new ATOM 1166 N THR A 81 -12.023 -12.551 0.350 1.00 0.00 N ATOM 1167 CA THR A 81 -10.772 -13.157 -0.089 1.00 0.00 C ATOM 1168 C THR A 81 -10.550 -12.940 -1.581 1.00 0.00 C ATOM 1169 O THR A 81 -11.493 -12.675 -2.328 1.00 0.00 O ATOM 1170 CB THR A 81 -10.746 -14.668 0.208 1.00 0.00 C ATOM 1171 OG1 THR A 81 -11.787 -15.329 -0.519 1.00 0.00 O ATOM 1172 CG2 THR A 81 -10.915 -14.930 1.697 1.00 0.00 C ATOM 0 H THR A 81 -12.727 -12.460 -0.382 1.00 0.00 H new ATOM 0 HA THR A 81 -9.972 -12.670 0.469 1.00 0.00 H new ATOM 0 HB THR A 81 -9.779 -15.061 -0.106 1.00 0.00 H new ATOM 0 HG1 THR A 81 -11.762 -16.289 -0.326 1.00 0.00 H new ATOM 0 HG21 THR A 81 -10.893 -16.004 1.882 1.00 0.00 H new ATOM 0 HG22 THR A 81 -10.104 -14.451 2.245 1.00 0.00 H new ATOM 0 HG23 THR A 81 -11.869 -14.523 2.032 1.00 0.00 H new ATOM 1180 N PHE A 82 -9.298 -13.056 -2.011 1.00 0.00 N ATOM 1181 CA PHE A 82 -8.952 -12.872 -3.416 1.00 0.00 C ATOM 1182 C PHE A 82 -7.888 -13.876 -3.850 1.00 0.00 C ATOM 1183 O PHE A 82 -7.021 -14.256 -3.064 1.00 0.00 O ATOM 1184 CB PHE A 82 -8.453 -11.445 -3.658 1.00 0.00 C ATOM 1185 CG PHE A 82 -9.408 -10.388 -3.184 1.00 0.00 C ATOM 1186 CD1 PHE A 82 -9.424 -9.996 -1.855 1.00 0.00 C ATOM 1187 CD2 PHE A 82 -10.288 -9.785 -4.067 1.00 0.00 C ATOM 1188 CE1 PHE A 82 -10.302 -9.023 -1.416 1.00 0.00 C ATOM 1189 CE2 PHE A 82 -11.169 -8.810 -3.634 1.00 0.00 C ATOM 1190 CZ PHE A 82 -11.175 -8.429 -2.307 1.00 0.00 C ATOM 0 H PHE A 82 -8.506 -13.277 -1.407 1.00 0.00 H new ATOM 0 HA PHE A 82 -9.850 -13.041 -4.011 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -7.497 -11.312 -3.152 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -8.272 -11.308 -4.724 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -8.743 -10.456 -1.154 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -10.287 -10.079 -5.106 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -10.306 -8.727 -0.377 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -11.851 -8.348 -4.333 1.00 0.00 H new ATOM 0 HZ PHE A 82 -11.861 -7.668 -1.966 1.00 0.00 H new ATOM 1200 N ASP A 83 -7.962 -14.301 -5.107 1.00 0.00 N ATOM 1201 CA ASP A 83 -7.006 -15.260 -5.647 1.00 0.00 C ATOM 1202 C ASP A 83 -5.580 -14.889 -5.249 1.00 0.00 C ATOM 1203 O ASP A 83 -4.811 -15.736 -4.794 1.00 0.00 O ATOM 1204 CB ASP A 83 -7.122 -15.326 -7.170 1.00 0.00 C ATOM 1205 CG ASP A 83 -8.445 -15.911 -7.625 1.00 0.00 C ATOM 1206 OD1 ASP A 83 -8.866 -16.940 -7.056 1.00 0.00 O ATOM 1207 OD2 ASP A 83 -9.060 -15.338 -8.549 1.00 0.00 O ATOM 0 H ASP A 83 -8.674 -13.996 -5.771 1.00 0.00 H new ATOM 0 HA ASP A 83 -7.238 -16.240 -5.230 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -7.010 -14.324 -7.584 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -6.306 -15.929 -7.568 1.00 0.00 H new ATOM 1212 N SER A 84 -5.234 -13.618 -5.424 1.00 0.00 N ATOM 1213 CA SER A 84 -3.899 -13.136 -5.088 1.00 0.00 C ATOM 1214 C SER A 84 -3.865 -11.612 -5.055 1.00 0.00 C ATOM 1215 O SER A 84 -4.888 -10.951 -5.242 1.00 0.00 O ATOM 1216 CB SER A 84 -2.876 -13.658 -6.098 1.00 0.00 C ATOM 1217 OG SER A 84 -3.281 -13.379 -7.427 1.00 0.00 O ATOM 0 H SER A 84 -5.859 -12.903 -5.796 1.00 0.00 H new ATOM 0 HA SER A 84 -3.643 -13.510 -4.097 1.00 0.00 H new ATOM 0 HB2 SER A 84 -1.906 -13.200 -5.907 1.00 0.00 H new ATOM 0 HB3 SER A 84 -2.751 -14.733 -5.971 1.00 0.00 H new ATOM 0 HG SER A 84 -2.609 -13.722 -8.053 1.00 0.00 H new ATOM 1223 N LEU A 85 -2.681 -11.057 -4.817 1.00 0.00 N ATOM 1224 CA LEU A 85 -2.511 -9.610 -4.758 1.00 0.00 C ATOM 1225 C LEU A 85 -3.130 -8.939 -5.981 1.00 0.00 C ATOM 1226 O LEU A 85 -3.625 -7.815 -5.903 1.00 0.00 O ATOM 1227 CB LEU A 85 -1.027 -9.255 -4.664 1.00 0.00 C ATOM 1228 CG LEU A 85 -0.453 -9.139 -3.251 1.00 0.00 C ATOM 1229 CD1 LEU A 85 -1.296 -8.196 -2.407 1.00 0.00 C ATOM 1230 CD2 LEU A 85 -0.366 -10.510 -2.598 1.00 0.00 C ATOM 0 H LEU A 85 -1.824 -11.588 -4.662 1.00 0.00 H new ATOM 0 HA LEU A 85 -3.023 -9.244 -3.868 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -0.458 -10.011 -5.205 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -0.867 -8.307 -5.178 1.00 0.00 H new ATOM 0 HG LEU A 85 0.554 -8.727 -3.321 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -0.872 -8.127 -1.405 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -1.306 -7.207 -2.866 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -2.315 -8.577 -2.344 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.044 -10.409 -1.593 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -1.362 -10.950 -2.541 1.00 0.00 H new ATOM 0 HD23 LEU A 85 0.282 -11.155 -3.191 1.00 0.00 H new ATOM 1242 N THR A 86 -3.099 -9.638 -7.112 1.00 0.00 N ATOM 1243 CA THR A 86 -3.657 -9.111 -8.351 1.00 0.00 C ATOM 1244 C THR A 86 -5.168 -8.943 -8.245 1.00 0.00 C ATOM 1245 O THR A 86 -5.696 -7.849 -8.447 1.00 0.00 O ATOM 1246 CB THR A 86 -3.336 -10.029 -9.546 1.00 0.00 C ATOM 1247 OG1 THR A 86 -1.918 -10.160 -9.696 1.00 0.00 O ATOM 1248 CG2 THR A 86 -3.938 -9.477 -10.829 1.00 0.00 C ATOM 0 H THR A 86 -2.693 -10.570 -7.195 1.00 0.00 H new ATOM 0 HA THR A 86 -3.197 -8.137 -8.517 1.00 0.00 H new ATOM 0 HB THR A 86 -3.772 -11.009 -9.351 1.00 0.00 H new ATOM 0 HG1 THR A 86 -1.722 -10.746 -10.456 1.00 0.00 H new ATOM 0 HG21 THR A 86 -3.698 -10.142 -11.659 1.00 0.00 H new ATOM 0 HG22 THR A 86 -5.020 -9.406 -10.722 1.00 0.00 H new ATOM 0 HG23 THR A 86 -3.527 -8.487 -11.027 1.00 0.00 H new ATOM 1256 N ASP A 87 -5.859 -10.033 -7.929 1.00 0.00 N ATOM 1257 CA ASP A 87 -7.311 -10.004 -7.794 1.00 0.00 C ATOM 1258 C ASP A 87 -7.734 -9.092 -6.647 1.00 0.00 C ATOM 1259 O ASP A 87 -8.762 -8.418 -6.722 1.00 0.00 O ATOM 1260 CB ASP A 87 -7.850 -11.417 -7.564 1.00 0.00 C ATOM 1261 CG ASP A 87 -9.351 -11.505 -7.770 1.00 0.00 C ATOM 1262 OD1 ASP A 87 -9.803 -11.326 -8.919 1.00 0.00 O ATOM 1263 OD2 ASP A 87 -10.071 -11.753 -6.781 1.00 0.00 O ATOM 0 H ASP A 87 -5.438 -10.947 -7.762 1.00 0.00 H new ATOM 0 HA ASP A 87 -7.729 -9.609 -8.720 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -7.352 -12.108 -8.244 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -7.606 -11.735 -6.551 1.00 0.00 H new ATOM 1268 N LEU A 88 -6.935 -9.076 -5.586 1.00 0.00 N ATOM 1269 CA LEU A 88 -7.226 -8.248 -4.421 1.00 0.00 C ATOM 1270 C LEU A 88 -7.111 -6.765 -4.765 1.00 0.00 C ATOM 1271 O LEU A 88 -8.090 -6.023 -4.693 1.00 0.00 O ATOM 1272 CB LEU A 88 -6.273 -8.592 -3.274 1.00 0.00 C ATOM 1273 CG LEU A 88 -6.453 -7.786 -1.988 1.00 0.00 C ATOM 1274 CD1 LEU A 88 -6.064 -8.618 -0.777 1.00 0.00 C ATOM 1275 CD2 LEU A 88 -5.633 -6.505 -2.043 1.00 0.00 C ATOM 0 H LEU A 88 -6.080 -9.627 -5.508 1.00 0.00 H new ATOM 0 HA LEU A 88 -8.250 -8.452 -4.108 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -6.390 -9.649 -3.036 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -5.250 -8.455 -3.625 1.00 0.00 H new ATOM 0 HG LEU A 88 -7.505 -7.517 -1.895 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -6.199 -8.027 0.129 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -6.694 -9.506 -0.728 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -5.020 -8.918 -0.862 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -5.773 -5.943 -1.119 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -4.578 -6.753 -2.161 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -5.960 -5.900 -2.889 1.00 0.00 H new ATOM 1287 N VAL A 89 -5.909 -6.343 -5.142 1.00 0.00 N ATOM 1288 CA VAL A 89 -5.665 -4.950 -5.501 1.00 0.00 C ATOM 1289 C VAL A 89 -6.619 -4.491 -6.598 1.00 0.00 C ATOM 1290 O VAL A 89 -7.339 -3.507 -6.436 1.00 0.00 O ATOM 1291 CB VAL A 89 -4.215 -4.737 -5.974 1.00 0.00 C ATOM 1292 CG1 VAL A 89 -3.985 -3.282 -6.351 1.00 0.00 C ATOM 1293 CG2 VAL A 89 -3.234 -5.180 -4.899 1.00 0.00 C ATOM 0 H VAL A 89 -5.088 -6.945 -5.207 1.00 0.00 H new ATOM 0 HA VAL A 89 -5.836 -4.357 -4.603 1.00 0.00 H new ATOM 0 HB VAL A 89 -4.047 -5.348 -6.861 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -2.955 -3.151 -6.683 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -4.664 -3.003 -7.157 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -4.171 -2.648 -5.484 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -2.214 -5.023 -5.250 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -3.400 -4.598 -3.993 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -3.384 -6.238 -4.683 1.00 0.00 H new ATOM 1303 N GLU A 90 -6.619 -5.212 -7.715 1.00 0.00 N ATOM 1304 CA GLU A 90 -7.485 -4.878 -8.839 1.00 0.00 C ATOM 1305 C GLU A 90 -8.887 -4.514 -8.357 1.00 0.00 C ATOM 1306 O GLU A 90 -9.356 -3.394 -8.566 1.00 0.00 O ATOM 1307 CB GLU A 90 -7.560 -6.050 -9.820 1.00 0.00 C ATOM 1308 CG GLU A 90 -6.410 -6.087 -10.813 1.00 0.00 C ATOM 1309 CD GLU A 90 -6.797 -6.728 -12.131 1.00 0.00 C ATOM 1310 OE1 GLU A 90 -6.814 -7.975 -12.201 1.00 0.00 O ATOM 1311 OE2 GLU A 90 -7.084 -5.983 -13.092 1.00 0.00 O ATOM 0 H GLU A 90 -6.029 -6.031 -7.865 1.00 0.00 H new ATOM 0 HA GLU A 90 -7.059 -4.014 -9.348 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -7.573 -6.984 -9.257 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -8.501 -5.995 -10.368 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -6.061 -5.071 -10.996 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -5.576 -6.637 -10.377 1.00 0.00 H new ATOM 1318 N HIS A 91 -9.551 -5.468 -7.711 1.00 0.00 N ATOM 1319 CA HIS A 91 -10.898 -5.249 -7.199 1.00 0.00 C ATOM 1320 C HIS A 91 -10.948 -4.007 -6.314 1.00 0.00 C ATOM 1321 O HIS A 91 -12.005 -3.405 -6.130 1.00 0.00 O ATOM 1322 CB HIS A 91 -11.373 -6.470 -6.413 1.00 0.00 C ATOM 1323 CG HIS A 91 -12.687 -6.267 -5.725 1.00 0.00 C ATOM 1324 ND1 HIS A 91 -13.015 -5.517 -4.646 1.00 0.00 N flip ATOM 1325 CD2 HIS A 91 -13.855 -6.875 -6.135 1.00 0.00 C flip ATOM 1326 CE1 HIS A 91 -14.361 -5.684 -4.428 1.00 0.00 C flip ATOM 1327 NE2 HIS A 91 -14.844 -6.507 -5.340 1.00 0.00 N flip ATOM 0 H HIS A 91 -9.177 -6.400 -7.530 1.00 0.00 H new ATOM 0 HA HIS A 91 -11.562 -5.094 -8.049 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -11.455 -7.319 -7.092 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -10.619 -6.728 -5.669 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -13.947 -7.547 -6.975 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -14.931 -5.218 -3.638 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -15.816 -6.808 -5.418 1.00 0.00 H new ATOM 1336 N PHE A 92 -9.797 -3.632 -5.766 1.00 0.00 N ATOM 1337 CA PHE A 92 -9.709 -2.464 -4.896 1.00 0.00 C ATOM 1338 C PHE A 92 -9.317 -1.223 -5.692 1.00 0.00 C ATOM 1339 O PHE A 92 -9.469 -0.095 -5.222 1.00 0.00 O ATOM 1340 CB PHE A 92 -8.694 -2.709 -3.779 1.00 0.00 C ATOM 1341 CG PHE A 92 -9.304 -3.273 -2.528 1.00 0.00 C ATOM 1342 CD1 PHE A 92 -10.457 -2.721 -1.993 1.00 0.00 C ATOM 1343 CD2 PHE A 92 -8.726 -4.358 -1.887 1.00 0.00 C ATOM 1344 CE1 PHE A 92 -11.020 -3.238 -0.842 1.00 0.00 C ATOM 1345 CE2 PHE A 92 -9.284 -4.879 -0.736 1.00 0.00 C ATOM 1346 CZ PHE A 92 -10.434 -4.320 -0.213 1.00 0.00 C ATOM 0 H PHE A 92 -8.912 -4.119 -5.909 1.00 0.00 H new ATOM 0 HA PHE A 92 -10.691 -2.296 -4.454 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -7.927 -3.394 -4.140 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -8.196 -1.770 -3.539 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -10.921 -1.877 -2.481 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -7.829 -4.801 -2.293 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -11.917 -2.797 -0.434 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -8.822 -5.723 -0.245 1.00 0.00 H new ATOM 0 HZ PHE A 92 -10.874 -4.728 0.685 1.00 0.00 H new ATOM 1356 N LYS A 93 -8.811 -1.438 -6.902 1.00 0.00 N ATOM 1357 CA LYS A 93 -8.396 -0.338 -7.765 1.00 0.00 C ATOM 1358 C LYS A 93 -9.607 0.378 -8.354 1.00 0.00 C ATOM 1359 O LYS A 93 -9.514 1.526 -8.786 1.00 0.00 O ATOM 1360 CB LYS A 93 -7.499 -0.857 -8.892 1.00 0.00 C ATOM 1361 CG LYS A 93 -6.192 -1.457 -8.401 1.00 0.00 C ATOM 1362 CD LYS A 93 -5.083 -1.288 -9.426 1.00 0.00 C ATOM 1363 CE LYS A 93 -5.102 -2.406 -10.457 1.00 0.00 C ATOM 1364 NZ LYS A 93 -4.067 -2.208 -11.510 1.00 0.00 N ATOM 0 H LYS A 93 -8.678 -2.365 -7.307 1.00 0.00 H new ATOM 0 HA LYS A 93 -7.834 0.373 -7.160 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -8.044 -1.610 -9.461 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -7.279 -0.038 -9.576 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -5.900 -0.980 -7.465 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -6.334 -2.517 -8.188 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -5.193 -0.327 -9.928 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -4.118 -1.274 -8.920 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -4.936 -3.361 -9.960 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -6.087 -2.455 -10.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -4.113 -2.991 -12.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -4.240 -1.308 -12.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -3.125 -2.186 -11.071 1.00 0.00 H new ATOM 1378 N LYS A 94 -10.745 -0.308 -8.367 1.00 0.00 N ATOM 1379 CA LYS A 94 -11.977 0.262 -8.900 1.00 0.00 C ATOM 1380 C LYS A 94 -12.940 0.626 -7.774 1.00 0.00 C ATOM 1381 O LYS A 94 -13.669 1.615 -7.860 1.00 0.00 O ATOM 1382 CB LYS A 94 -12.647 -0.724 -9.860 1.00 0.00 C ATOM 1383 CG LYS A 94 -12.717 -2.143 -9.322 1.00 0.00 C ATOM 1384 CD LYS A 94 -13.339 -3.092 -10.332 1.00 0.00 C ATOM 1385 CE LYS A 94 -13.979 -4.292 -9.650 1.00 0.00 C ATOM 1386 NZ LYS A 94 -15.027 -4.921 -10.502 1.00 0.00 N ATOM 0 H LYS A 94 -10.840 -1.260 -8.014 1.00 0.00 H new ATOM 0 HA LYS A 94 -11.721 1.171 -9.444 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -13.657 -0.377 -10.078 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -12.101 -0.728 -10.803 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -11.714 -2.487 -9.068 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -13.301 -2.156 -8.402 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -14.090 -2.561 -10.917 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -12.575 -3.434 -11.030 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -13.211 -5.029 -9.416 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -14.420 -3.979 -8.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -15.439 -5.735 -10.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -15.773 -4.225 -10.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -14.602 -5.243 -11.395 1.00 0.00 H new ATOM 1400 N THR A 95 -12.938 -0.180 -6.717 1.00 0.00 N ATOM 1401 CA THR A 95 -13.811 0.057 -5.573 1.00 0.00 C ATOM 1402 C THR A 95 -13.179 1.040 -4.594 1.00 0.00 C ATOM 1403 O THR A 95 -13.682 2.145 -4.398 1.00 0.00 O ATOM 1404 CB THR A 95 -14.133 -1.253 -4.831 1.00 0.00 C ATOM 1405 OG1 THR A 95 -12.935 -1.817 -4.289 1.00 0.00 O ATOM 1406 CG2 THR A 95 -14.794 -2.257 -5.766 1.00 0.00 C ATOM 0 H THR A 95 -12.342 -1.003 -6.629 1.00 0.00 H new ATOM 0 HA THR A 95 -14.736 0.481 -5.964 1.00 0.00 H new ATOM 0 HB THR A 95 -14.825 -1.024 -4.021 1.00 0.00 H new ATOM 0 HG1 THR A 95 -12.747 -2.672 -4.730 1.00 0.00 H new ATOM 0 HG21 THR A 95 -15.012 -3.174 -5.219 1.00 0.00 H new ATOM 0 HG22 THR A 95 -15.722 -1.837 -6.154 1.00 0.00 H new ATOM 0 HG23 THR A 95 -14.122 -2.480 -6.595 1.00 0.00 H new ATOM 1414 N GLY A 96 -12.073 0.630 -3.982 1.00 0.00 N ATOM 1415 CA GLY A 96 -11.391 1.487 -3.030 1.00 0.00 C ATOM 1416 C GLY A 96 -11.462 0.953 -1.613 1.00 0.00 C ATOM 1417 O GLY A 96 -12.442 0.310 -1.233 1.00 0.00 O ATOM 0 H GLY A 96 -11.637 -0.280 -4.128 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -10.346 1.591 -3.323 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -11.832 2.483 -3.062 1.00 0.00 H new ATOM 1421 N ILE A 97 -10.421 1.216 -0.831 1.00 0.00 N ATOM 1422 CA ILE A 97 -10.370 0.756 0.552 1.00 0.00 C ATOM 1423 C ILE A 97 -10.899 1.822 1.506 1.00 0.00 C ATOM 1424 O ILE A 97 -10.641 3.012 1.327 1.00 0.00 O ATOM 1425 CB ILE A 97 -8.936 0.379 0.966 1.00 0.00 C ATOM 1426 CG1 ILE A 97 -8.389 -0.720 0.052 1.00 0.00 C ATOM 1427 CG2 ILE A 97 -8.906 -0.072 2.420 1.00 0.00 C ATOM 1428 CD1 ILE A 97 -6.881 -0.716 -0.061 1.00 0.00 C ATOM 0 H ILE A 97 -9.602 1.745 -1.131 1.00 0.00 H new ATOM 0 HA ILE A 97 -11.003 -0.129 0.614 1.00 0.00 H new ATOM 0 HB ILE A 97 -8.302 1.259 0.864 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -8.715 -1.690 0.428 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -8.820 -0.603 -0.942 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -7.886 -0.335 2.698 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -9.259 0.737 3.059 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -9.552 -0.941 2.545 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -6.564 -1.521 -0.724 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -6.549 0.240 -0.466 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -6.442 -0.864 0.926 1.00 0.00 H new ATOM 1440 N GLU A 98 -11.639 1.385 2.520 1.00 0.00 N ATOM 1441 CA GLU A 98 -12.204 2.303 3.503 1.00 0.00 C ATOM 1442 C GLU A 98 -11.573 2.086 4.875 1.00 0.00 C ATOM 1443 O GLU A 98 -11.716 1.020 5.474 1.00 0.00 O ATOM 1444 CB GLU A 98 -13.721 2.120 3.592 1.00 0.00 C ATOM 1445 CG GLU A 98 -14.356 2.868 4.752 1.00 0.00 C ATOM 1446 CD GLU A 98 -15.867 2.947 4.636 1.00 0.00 C ATOM 1447 OE1 GLU A 98 -16.491 1.913 4.318 1.00 0.00 O ATOM 1448 OE2 GLU A 98 -16.423 4.042 4.864 1.00 0.00 O ATOM 0 H GLU A 98 -11.861 0.403 2.682 1.00 0.00 H new ATOM 0 HA GLU A 98 -11.987 3.321 3.179 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -14.175 2.458 2.660 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -13.946 1.058 3.689 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -14.092 2.373 5.687 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -13.945 3.877 4.798 1.00 0.00 H new ATOM 1455 N GLU A 99 -10.874 3.104 5.367 1.00 0.00 N ATOM 1456 CA GLU A 99 -10.220 3.023 6.667 1.00 0.00 C ATOM 1457 C GLU A 99 -11.221 3.252 7.796 1.00 0.00 C ATOM 1458 O GLU A 99 -12.132 4.070 7.674 1.00 0.00 O ATOM 1459 CB GLU A 99 -9.088 4.051 6.759 1.00 0.00 C ATOM 1460 CG GLU A 99 -7.882 3.706 5.902 1.00 0.00 C ATOM 1461 CD GLU A 99 -6.941 4.881 5.719 1.00 0.00 C ATOM 1462 OE1 GLU A 99 -6.611 5.538 6.729 1.00 0.00 O ATOM 1463 OE2 GLU A 99 -6.536 5.144 4.568 1.00 0.00 O ATOM 0 H GLU A 99 -10.746 3.994 4.885 1.00 0.00 H new ATOM 0 HA GLU A 99 -9.802 2.022 6.772 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -9.469 5.027 6.459 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -8.772 4.139 7.798 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -7.340 2.879 6.361 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -8.222 3.362 4.925 1.00 0.00 H new ATOM 1470 N ALA A 100 -11.045 2.522 8.892 1.00 0.00 N ATOM 1471 CA ALA A 100 -11.932 2.645 10.042 1.00 0.00 C ATOM 1472 C ALA A 100 -12.296 4.104 10.301 1.00 0.00 C ATOM 1473 O ALA A 100 -13.471 4.470 10.293 1.00 0.00 O ATOM 1474 CB ALA A 100 -11.284 2.034 11.276 1.00 0.00 C ATOM 0 H ALA A 100 -10.296 1.839 9.008 1.00 0.00 H new ATOM 0 HA ALA A 100 -12.851 2.102 9.821 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -11.957 2.133 12.127 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -11.080 0.979 11.095 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -10.349 2.552 11.491 1.00 0.00 H new ATOM 1480 N SER A 101 -11.282 4.931 10.530 1.00 0.00 N ATOM 1481 CA SER A 101 -11.496 6.348 10.796 1.00 0.00 C ATOM 1482 C SER A 101 -12.466 6.950 9.783 1.00 0.00 C ATOM 1483 O SER A 101 -13.225 7.865 10.100 1.00 0.00 O ATOM 1484 CB SER A 101 -10.166 7.103 10.757 1.00 0.00 C ATOM 1485 OG SER A 101 -9.732 7.304 9.422 1.00 0.00 O ATOM 0 H SER A 101 -10.303 4.644 10.537 1.00 0.00 H new ATOM 0 HA SER A 101 -11.930 6.444 11.791 1.00 0.00 H new ATOM 0 HB2 SER A 101 -10.276 8.066 11.256 1.00 0.00 H new ATOM 0 HB3 SER A 101 -9.410 6.543 11.308 1.00 0.00 H new ATOM 0 HG SER A 101 -8.881 7.790 9.424 1.00 0.00 H new ATOM 1491 N GLY A 102 -12.433 6.428 8.560 1.00 0.00 N ATOM 1492 CA GLY A 102 -13.313 6.925 7.519 1.00 0.00 C ATOM 1493 C GLY A 102 -12.582 7.179 6.215 1.00 0.00 C ATOM 1494 O GLY A 102 -13.130 6.960 5.135 1.00 0.00 O ATOM 0 H GLY A 102 -11.813 5.671 8.272 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -14.113 6.205 7.349 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -13.783 7.850 7.855 1.00 0.00 H new ATOM 1498 N ALA A 103 -11.341 7.644 6.315 1.00 0.00 N ATOM 1499 CA ALA A 103 -10.534 7.927 5.134 1.00 0.00 C ATOM 1500 C ALA A 103 -10.746 6.869 4.057 1.00 0.00 C ATOM 1501 O ALA A 103 -11.090 5.725 4.356 1.00 0.00 O ATOM 1502 CB ALA A 103 -9.062 8.012 5.510 1.00 0.00 C ATOM 0 H ALA A 103 -10.873 7.833 7.201 1.00 0.00 H new ATOM 0 HA ALA A 103 -10.851 8.888 4.729 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -8.471 8.224 4.619 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -8.918 8.809 6.239 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -8.741 7.064 5.941 1.00 0.00 H new ATOM 1508 N PHE A 104 -10.540 7.258 2.803 1.00 0.00 N ATOM 1509 CA PHE A 104 -10.711 6.343 1.681 1.00 0.00 C ATOM 1510 C PHE A 104 -9.473 6.339 0.788 1.00 0.00 C ATOM 1511 O PHE A 104 -9.105 7.365 0.215 1.00 0.00 O ATOM 1512 CB PHE A 104 -11.943 6.732 0.862 1.00 0.00 C ATOM 1513 CG PHE A 104 -13.200 6.036 1.300 1.00 0.00 C ATOM 1514 CD1 PHE A 104 -13.999 6.580 2.292 1.00 0.00 C ATOM 1515 CD2 PHE A 104 -13.581 4.837 0.720 1.00 0.00 C ATOM 1516 CE1 PHE A 104 -15.156 5.942 2.698 1.00 0.00 C ATOM 1517 CE2 PHE A 104 -14.737 4.194 1.121 1.00 0.00 C ATOM 1518 CZ PHE A 104 -15.525 4.747 2.112 1.00 0.00 C ATOM 0 H PHE A 104 -10.254 8.201 2.539 1.00 0.00 H new ATOM 0 HA PHE A 104 -10.851 5.339 2.082 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -12.091 7.810 0.933 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -11.758 6.504 -0.188 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -13.715 7.514 2.754 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -12.968 4.400 -0.054 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -15.770 6.377 3.472 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -15.024 3.260 0.660 1.00 0.00 H new ATOM 0 HZ PHE A 104 -16.428 4.246 2.428 1.00 0.00 H new ATOM 1528 N VAL A 105 -8.835 5.179 0.678 1.00 0.00 N ATOM 1529 CA VAL A 105 -7.639 5.040 -0.144 1.00 0.00 C ATOM 1530 C VAL A 105 -7.996 4.645 -1.572 1.00 0.00 C ATOM 1531 O VAL A 105 -8.842 3.779 -1.795 1.00 0.00 O ATOM 1532 CB VAL A 105 -6.674 3.991 0.441 1.00 0.00 C ATOM 1533 CG1 VAL A 105 -5.550 3.694 -0.540 1.00 0.00 C ATOM 1534 CG2 VAL A 105 -6.118 4.464 1.775 1.00 0.00 C ATOM 0 H VAL A 105 -9.126 4.322 1.148 1.00 0.00 H new ATOM 0 HA VAL A 105 -7.146 6.012 -0.152 1.00 0.00 H new ATOM 0 HB VAL A 105 -7.228 3.068 0.612 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -4.878 2.951 -0.110 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -5.970 3.309 -1.469 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -4.995 4.609 -0.745 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -5.438 3.711 2.174 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -5.579 5.401 1.633 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -6.938 4.620 2.476 1.00 0.00 H new ATOM 1544 N TYR A 106 -7.346 5.286 -2.537 1.00 0.00 N ATOM 1545 CA TYR A 106 -7.596 5.004 -3.946 1.00 0.00 C ATOM 1546 C TYR A 106 -6.317 4.557 -4.647 1.00 0.00 C ATOM 1547 O TYR A 106 -5.240 5.103 -4.407 1.00 0.00 O ATOM 1548 CB TYR A 106 -8.168 6.240 -4.641 1.00 0.00 C ATOM 1549 CG TYR A 106 -9.409 6.791 -3.975 1.00 0.00 C ATOM 1550 CD1 TYR A 106 -10.420 5.945 -3.539 1.00 0.00 C ATOM 1551 CD2 TYR A 106 -9.569 8.158 -3.782 1.00 0.00 C ATOM 1552 CE1 TYR A 106 -11.556 6.443 -2.930 1.00 0.00 C ATOM 1553 CE2 TYR A 106 -10.700 8.665 -3.173 1.00 0.00 C ATOM 1554 CZ TYR A 106 -11.691 7.804 -2.749 1.00 0.00 C ATOM 1555 OH TYR A 106 -12.820 8.305 -2.144 1.00 0.00 O ATOM 0 H TYR A 106 -6.642 6.005 -2.369 1.00 0.00 H new ATOM 0 HA TYR A 106 -8.323 4.194 -4.005 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -7.405 7.017 -4.667 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -8.402 5.989 -5.675 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -10.317 4.879 -3.678 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -8.796 8.835 -4.114 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -12.333 5.771 -2.598 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -10.808 9.730 -3.029 1.00 0.00 H new ATOM 0 HH TYR A 106 -12.757 9.282 -2.092 1.00 0.00 H new ATOM 1565 N LEU A 107 -6.445 3.561 -5.517 1.00 0.00 N ATOM 1566 CA LEU A 107 -5.301 3.040 -6.256 1.00 0.00 C ATOM 1567 C LEU A 107 -5.468 3.273 -7.755 1.00 0.00 C ATOM 1568 O LEU A 107 -5.977 2.414 -8.473 1.00 0.00 O ATOM 1569 CB LEU A 107 -5.127 1.546 -5.978 1.00 0.00 C ATOM 1570 CG LEU A 107 -5.274 1.113 -4.519 1.00 0.00 C ATOM 1571 CD1 LEU A 107 -6.722 0.770 -4.207 1.00 0.00 C ATOM 1572 CD2 LEU A 107 -4.366 -0.071 -4.219 1.00 0.00 C ATOM 0 H LEU A 107 -7.329 3.098 -5.728 1.00 0.00 H new ATOM 0 HA LEU A 107 -4.411 3.573 -5.921 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -5.857 0.999 -6.574 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -4.140 1.244 -6.328 1.00 0.00 H new ATOM 0 HG LEU A 107 -4.974 1.945 -3.882 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -6.807 0.464 -3.164 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -7.349 1.645 -4.381 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -7.050 -0.045 -4.852 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -4.484 -0.365 -3.176 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -4.634 -0.908 -4.865 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -3.329 0.211 -4.401 1.00 0.00 H new ATOM 1584 N ARG A 108 -5.033 4.440 -8.218 1.00 0.00 N ATOM 1585 CA ARG A 108 -5.133 4.786 -9.631 1.00 0.00 C ATOM 1586 C ARG A 108 -3.980 4.177 -10.423 1.00 0.00 C ATOM 1587 O ARG A 108 -4.193 3.515 -11.438 1.00 0.00 O ATOM 1588 CB ARG A 108 -5.140 6.306 -9.807 1.00 0.00 C ATOM 1589 CG ARG A 108 -6.290 6.997 -9.091 1.00 0.00 C ATOM 1590 CD ARG A 108 -6.716 8.263 -9.816 1.00 0.00 C ATOM 1591 NE ARG A 108 -7.244 7.981 -11.148 1.00 0.00 N ATOM 1592 CZ ARG A 108 -8.018 8.822 -11.825 1.00 0.00 C ATOM 1593 NH1 ARG A 108 -8.352 9.991 -11.297 1.00 0.00 N ATOM 1594 NH2 ARG A 108 -8.458 8.493 -13.032 1.00 0.00 N ATOM 0 H ARG A 108 -4.608 5.162 -7.636 1.00 0.00 H new ATOM 0 HA ARG A 108 -6.069 4.379 -10.013 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -4.198 6.710 -9.437 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -5.192 6.540 -10.870 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -7.137 6.315 -9.019 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -5.991 7.243 -8.072 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -7.474 8.780 -9.228 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -5.863 8.937 -9.899 1.00 0.00 H new ATOM 0 HE ARG A 108 -7.005 7.089 -11.582 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -8.015 10.246 -10.369 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -8.946 10.635 -11.819 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -8.202 7.594 -13.441 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -9.052 9.139 -13.552 1.00 0.00 H new ATOM 1608 N GLN A 109 -2.759 4.408 -9.952 1.00 0.00 N ATOM 1609 CA GLN A 109 -1.572 3.883 -10.617 1.00 0.00 C ATOM 1610 C GLN A 109 -0.551 3.387 -9.599 1.00 0.00 C ATOM 1611 O GLN A 109 -0.370 3.971 -8.530 1.00 0.00 O ATOM 1612 CB GLN A 109 -0.942 4.958 -11.506 1.00 0.00 C ATOM 1613 CG GLN A 109 -0.363 6.128 -10.728 1.00 0.00 C ATOM 1614 CD GLN A 109 -1.393 7.199 -10.431 1.00 0.00 C ATOM 1615 OE1 GLN A 109 -2.528 7.133 -10.905 1.00 0.00 O ATOM 1616 NE2 GLN A 109 -1.003 8.194 -9.643 1.00 0.00 N ATOM 0 H GLN A 109 -2.566 4.955 -9.113 1.00 0.00 H new ATOM 0 HA GLN A 109 -1.878 3.041 -11.238 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -0.153 4.505 -12.106 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -1.695 5.331 -12.200 1.00 0.00 H new ATOM 0 HG2 GLN A 109 0.057 5.764 -9.791 1.00 0.00 H new ATOM 0 HG3 GLN A 109 0.458 6.566 -11.296 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -0.053 8.209 -9.272 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -1.654 8.944 -9.408 1.00 0.00 H new ATOM 1625 N PRO A 110 0.133 2.283 -9.935 1.00 0.00 N ATOM 1626 CA PRO A 110 1.148 1.685 -9.063 1.00 0.00 C ATOM 1627 C PRO A 110 2.401 2.546 -8.954 1.00 0.00 C ATOM 1628 O PRO A 110 2.388 3.725 -9.311 1.00 0.00 O ATOM 1629 CB PRO A 110 1.471 0.357 -9.754 1.00 0.00 C ATOM 1630 CG PRO A 110 1.133 0.585 -11.187 1.00 0.00 C ATOM 1631 CD PRO A 110 -0.031 1.536 -11.193 1.00 0.00 C ATOM 0 HA PRO A 110 0.790 1.574 -8.039 1.00 0.00 H new ATOM 0 HB2 PRO A 110 2.521 0.092 -9.632 1.00 0.00 H new ATOM 0 HB3 PRO A 110 0.885 -0.461 -9.334 1.00 0.00 H new ATOM 0 HG2 PRO A 110 1.982 1.005 -11.726 1.00 0.00 H new ATOM 0 HG3 PRO A 110 0.874 -0.352 -11.680 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -0.005 2.197 -12.059 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -0.983 1.006 -11.225 1.00 0.00 H new ATOM 1639 N TYR A 111 3.481 1.952 -8.460 1.00 0.00 N ATOM 1640 CA TYR A 111 4.742 2.667 -8.303 1.00 0.00 C ATOM 1641 C TYR A 111 5.918 1.803 -8.749 1.00 0.00 C ATOM 1642 O TYR A 111 6.249 0.807 -8.108 1.00 0.00 O ATOM 1643 CB TYR A 111 4.932 3.094 -6.846 1.00 0.00 C ATOM 1644 CG TYR A 111 6.220 3.846 -6.598 1.00 0.00 C ATOM 1645 CD1 TYR A 111 6.374 5.158 -7.029 1.00 0.00 C ATOM 1646 CD2 TYR A 111 7.283 3.245 -5.934 1.00 0.00 C ATOM 1647 CE1 TYR A 111 7.549 5.850 -6.806 1.00 0.00 C ATOM 1648 CE2 TYR A 111 8.460 3.929 -5.705 1.00 0.00 C ATOM 1649 CZ TYR A 111 8.589 5.232 -6.143 1.00 0.00 C ATOM 1650 OH TYR A 111 9.761 5.916 -5.919 1.00 0.00 O ATOM 0 H TYR A 111 3.509 0.977 -8.161 1.00 0.00 H new ATOM 0 HA TYR A 111 4.708 3.555 -8.934 1.00 0.00 H new ATOM 0 HB2 TYR A 111 4.092 3.721 -6.548 1.00 0.00 H new ATOM 0 HB3 TYR A 111 4.910 2.208 -6.211 1.00 0.00 H new ATOM 0 HD1 TYR A 111 5.561 5.645 -7.547 1.00 0.00 H new ATOM 0 HD2 TYR A 111 7.186 2.225 -5.591 1.00 0.00 H new ATOM 0 HE1 TYR A 111 7.653 6.869 -7.149 1.00 0.00 H new ATOM 0 HE2 TYR A 111 9.276 3.447 -5.186 1.00 0.00 H new ATOM 0 HH TYR A 111 9.628 6.564 -5.196 1.00 0.00 H new ATOM 1660 N TYR A 112 6.543 2.194 -9.854 1.00 0.00 N ATOM 1661 CA TYR A 112 7.681 1.456 -10.390 1.00 0.00 C ATOM 1662 C TYR A 112 8.997 2.065 -9.916 1.00 0.00 C ATOM 1663 O TYR A 112 9.119 3.283 -9.785 1.00 0.00 O ATOM 1664 CB TYR A 112 7.633 1.442 -11.918 1.00 0.00 C ATOM 1665 CG TYR A 112 6.249 1.202 -12.478 1.00 0.00 C ATOM 1666 CD1 TYR A 112 5.465 0.151 -12.019 1.00 0.00 C ATOM 1667 CD2 TYR A 112 5.726 2.025 -13.467 1.00 0.00 C ATOM 1668 CE1 TYR A 112 4.200 -0.073 -12.527 1.00 0.00 C ATOM 1669 CE2 TYR A 112 4.462 1.811 -13.981 1.00 0.00 C ATOM 1670 CZ TYR A 112 3.703 0.760 -13.509 1.00 0.00 C ATOM 1671 OH TYR A 112 2.444 0.542 -14.018 1.00 0.00 O ATOM 0 H TYR A 112 6.281 3.017 -10.396 1.00 0.00 H new ATOM 0 HA TYR A 112 7.623 0.431 -10.023 1.00 0.00 H new ATOM 0 HB2 TYR A 112 8.008 2.394 -12.294 1.00 0.00 H new ATOM 0 HB3 TYR A 112 8.305 0.667 -12.287 1.00 0.00 H new ATOM 0 HD1 TYR A 112 5.851 -0.503 -11.251 1.00 0.00 H new ATOM 0 HD2 TYR A 112 6.318 2.847 -13.841 1.00 0.00 H new ATOM 0 HE1 TYR A 112 3.604 -0.895 -12.158 1.00 0.00 H new ATOM 0 HE2 TYR A 112 4.070 2.463 -14.748 1.00 0.00 H new ATOM 0 HH TYR A 112 2.245 1.217 -14.700 1.00 0.00 H new ATOM 1869 N SER B 9 -3.307 2.254 9.199 1.00 0.00 N ATOM 1870 CA SER B 9 -4.705 2.661 9.260 1.00 0.00 C ATOM 1871 C SER B 9 -5.629 1.458 9.088 1.00 0.00 C ATOM 1872 O SER B 9 -5.834 0.974 7.976 1.00 0.00 O ATOM 1873 CB SER B 9 -5.004 3.705 8.184 1.00 0.00 C ATOM 1874 OG SER B 9 -4.759 5.016 8.662 1.00 0.00 O ATOM 0 HA SER B 9 -4.886 3.100 10.241 1.00 0.00 H new ATOM 0 HB2 SER B 9 -4.387 3.514 7.306 1.00 0.00 H new ATOM 0 HB3 SER B 9 -6.044 3.618 7.868 1.00 0.00 H new ATOM 0 HG SER B 9 -5.322 5.653 8.174 1.00 0.00 H new ATOM 1880 N ASP B 10 -6.183 0.982 10.198 1.00 0.00 N ATOM 1881 CA ASP B 10 -7.086 -0.163 10.171 1.00 0.00 C ATOM 1882 C ASP B 10 -8.223 0.065 9.181 1.00 0.00 C ATOM 1883 O ASP B 10 -8.361 1.151 8.617 1.00 0.00 O ATOM 1884 CB ASP B 10 -7.653 -0.425 11.567 1.00 0.00 C ATOM 1885 CG ASP B 10 -6.813 -1.409 12.357 1.00 0.00 C ATOM 1886 OD1 ASP B 10 -5.571 -1.297 12.317 1.00 0.00 O ATOM 1887 OD2 ASP B 10 -7.400 -2.290 13.019 1.00 0.00 O ATOM 0 H ASP B 10 -6.023 1.371 11.127 1.00 0.00 H new ATOM 0 HA ASP B 10 -6.518 -1.035 9.849 1.00 0.00 H new ATOM 0 HB2 ASP B 10 -7.715 0.516 12.113 1.00 0.00 H new ATOM 0 HB3 ASP B 10 -8.669 -0.809 11.477 1.00 0.00 H new ATOM 1892 N LEU B 11 -9.034 -0.967 8.972 1.00 0.00 N ATOM 1893 CA LEU B 11 -10.159 -0.880 8.047 1.00 0.00 C ATOM 1894 C LEU B 11 -11.482 -0.817 8.804 1.00 0.00 C ATOM 1895 O LEU B 11 -11.502 -0.733 10.032 1.00 0.00 O ATOM 1896 CB LEU B 11 -10.159 -2.079 7.098 1.00 0.00 C ATOM 1897 CG LEU B 11 -9.384 -1.902 5.792 1.00 0.00 C ATOM 1898 CD1 LEU B 11 -8.012 -1.302 6.064 1.00 0.00 C ATOM 1899 CD2 LEU B 11 -9.251 -3.232 5.066 1.00 0.00 C ATOM 0 H LEU B 11 -8.934 -1.873 9.430 1.00 0.00 H new ATOM 0 HA LEU B 11 -10.049 0.035 7.466 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -9.746 -2.937 7.629 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -11.193 -2.323 6.853 1.00 0.00 H new ATOM 0 HG LEU B 11 -9.939 -1.216 5.152 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -7.474 -1.183 5.124 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -8.129 -0.329 6.541 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -7.449 -1.964 6.722 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -8.697 -3.087 4.139 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -8.718 -3.941 5.700 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -10.243 -3.623 4.838 1.00 0.00 H new ATOM 1911 N ASN B 12 -12.585 -0.859 8.064 1.00 0.00 N ATOM 1912 CA ASN B 12 -13.912 -0.809 8.666 1.00 0.00 C ATOM 1913 C ASN B 12 -14.362 -2.197 9.109 1.00 0.00 C ATOM 1914 O ASN B 12 -15.154 -2.338 10.043 1.00 0.00 O ATOM 1915 CB ASN B 12 -14.922 -0.225 7.676 1.00 0.00 C ATOM 1916 CG ASN B 12 -15.341 -1.228 6.618 1.00 0.00 C ATOM 1917 OD1 ASN B 12 -14.459 -1.476 5.657 1.00 0.00 O flip ATOM 1918 ND2 ASN B 12 -16.444 -1.773 6.666 1.00 0.00 N flip ATOM 0 H ASN B 12 -12.586 -0.928 7.046 1.00 0.00 H new ATOM 0 HA ASN B 12 -13.861 -0.166 9.545 1.00 0.00 H new ATOM 0 HB2 ASN B 12 -15.804 0.116 8.219 1.00 0.00 H new ATOM 0 HB3 ASN B 12 -14.488 0.650 7.192 1.00 0.00 H new ATOM 0 HD21 ASN B 12 -17.090 -1.551 7.424 1.00 0.00 H new ATOM 0 HD22 ASN B 12 -16.712 -2.446 5.948 1.00 0.00 H new