USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 586 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 MET CE :methyl 148:sc= -0.0287 (180deg=-0.347) USER MOD Single : A 8 LYS NZ :NH3+ 170:sc= -0.013 (180deg=-0.149) USER MOD Single : A 10 THR OG1 : rot 2:sc= 1.13 USER MOD Single : A 11 LYS NZ :NH3+ 134:sc= 1.23 (180deg=0.105) USER MOD Single : A 13 TYR OH : rot 51:sc= 0.242 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot -68:sc= 1.02 USER MOD Single : A 28 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0465) USER MOD Single : A 29 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.062) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 CYS SG : rot 84:sc= 0.173 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 HIS : no HE2:sc= -3.91! C(o=-3.9!,f=-4!) USER MOD Single : A 42 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0557) USER MOD Single : A 43 ASN : amide:sc= -3.47! C(o=-3.5!,f=-5.1!) USER MOD Single : A 45 SER OG : rot 180:sc= 0.0165 USER MOD Single : A 51 LYS NZ :NH3+ 167:sc= -0.0208 (180deg=-0.21) USER MOD Single : A 53 LYS NZ :NH3+ -171:sc= -0.0158 (180deg=-0.149) USER MOD Single : A 56 SER OG : rot -9:sc= 1.04 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 148:sc= 0.624 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 TYR OH : rot 103:sc= 0.0589 USER MOD Single : A 73 GLN : amide:sc= -0.689 K(o=-0.69,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 8.300 4.610 -3.026 1.00 0.00 N ATOM 2 CA GLY A 1 7.800 3.253 -2.723 1.00 0.00 C ATOM 3 C GLY A 1 6.567 2.923 -3.528 1.00 0.00 C ATOM 4 O GLY A 1 5.449 2.997 -3.017 1.00 0.00 O ATOM 0 H1 GLY A 1 9.148 4.803 -2.455 1.00 0.00 H new ATOM 0 H2 GLY A 1 8.541 4.674 -4.036 1.00 0.00 H new ATOM 0 H3 GLY A 1 7.564 5.309 -2.801 1.00 0.00 H new ATOM 0 HA2 GLY A 1 8.580 2.522 -2.935 1.00 0.00 H new ATOM 0 HA3 GLY A 1 7.572 3.178 -1.660 1.00 0.00 H new ATOM 10 N GLU A 2 6.758 2.593 -4.800 1.00 0.00 N ATOM 11 CA GLU A 2 5.643 2.270 -5.677 1.00 0.00 C ATOM 12 C GLU A 2 4.931 1.005 -5.229 1.00 0.00 C ATOM 13 O GLU A 2 3.692 0.961 -5.174 1.00 0.00 O ATOM 14 CB GLU A 2 6.131 2.070 -7.103 1.00 0.00 C ATOM 15 CG GLU A 2 6.647 3.320 -7.773 1.00 0.00 C ATOM 16 CD GLU A 2 7.063 3.052 -9.194 1.00 0.00 C ATOM 17 OE1 GLU A 2 8.198 2.572 -9.412 1.00 0.00 O ATOM 18 OE2 GLU A 2 6.244 3.285 -10.102 1.00 0.00 O ATOM 0 H GLU A 2 7.674 2.543 -5.245 1.00 0.00 H new ATOM 0 HA GLU A 2 4.946 3.107 -5.632 1.00 0.00 H new ATOM 0 HB2 GLU A 2 6.924 1.322 -7.100 1.00 0.00 H new ATOM 0 HB3 GLU A 2 5.313 1.665 -7.699 1.00 0.00 H new ATOM 0 HG2 GLU A 2 5.874 4.088 -7.758 1.00 0.00 H new ATOM 0 HG3 GLU A 2 7.496 3.711 -7.212 1.00 0.00 H new ATOM 25 N PHE A 3 5.727 -0.023 -4.899 1.00 0.00 N ATOM 26 CA PHE A 3 5.210 -1.341 -4.513 1.00 0.00 C ATOM 27 C PHE A 3 4.157 -1.822 -5.510 1.00 0.00 C ATOM 28 O PHE A 3 3.201 -2.509 -5.144 1.00 0.00 O ATOM 29 CB PHE A 3 4.642 -1.320 -3.088 1.00 0.00 C ATOM 30 CG PHE A 3 5.663 -1.006 -2.030 1.00 0.00 C ATOM 31 CD1 PHE A 3 5.731 0.253 -1.461 1.00 0.00 C ATOM 32 CD2 PHE A 3 6.558 -1.978 -1.607 1.00 0.00 C ATOM 33 CE1 PHE A 3 6.672 0.541 -0.489 1.00 0.00 C ATOM 34 CE2 PHE A 3 7.500 -1.697 -0.636 1.00 0.00 C ATOM 35 CZ PHE A 3 7.557 -0.436 -0.077 1.00 0.00 C ATOM 0 H PHE A 3 6.745 0.037 -4.893 1.00 0.00 H new ATOM 0 HA PHE A 3 6.043 -2.044 -4.529 1.00 0.00 H new ATOM 0 HB2 PHE A 3 3.842 -0.582 -3.037 1.00 0.00 H new ATOM 0 HB3 PHE A 3 4.195 -2.290 -2.871 1.00 0.00 H new ATOM 0 HD1 PHE A 3 5.041 1.020 -1.780 1.00 0.00 H new ATOM 0 HD2 PHE A 3 6.518 -2.966 -2.042 1.00 0.00 H new ATOM 0 HE1 PHE A 3 6.715 1.528 -0.053 1.00 0.00 H new ATOM 0 HE2 PHE A 3 8.191 -2.463 -0.315 1.00 0.00 H new ATOM 0 HZ PHE A 3 8.293 -0.214 0.682 1.00 0.00 H new ATOM 45 N GLY A 4 4.344 -1.464 -6.767 1.00 0.00 N ATOM 46 CA GLY A 4 3.390 -1.812 -7.784 1.00 0.00 C ATOM 47 C GLY A 4 4.002 -2.637 -8.875 1.00 0.00 C ATOM 48 O GLY A 4 5.187 -2.498 -9.175 1.00 0.00 O ATOM 0 H GLY A 4 5.149 -0.933 -7.100 1.00 0.00 H new ATOM 0 HA2 GLY A 4 2.565 -2.364 -7.333 1.00 0.00 H new ATOM 0 HA3 GLY A 4 2.969 -0.902 -8.211 1.00 0.00 H new ATOM 52 N SER A 5 3.201 -3.487 -9.463 1.00 0.00 N ATOM 53 CA SER A 5 3.645 -4.364 -10.515 1.00 0.00 C ATOM 54 C SER A 5 2.452 -4.797 -11.353 1.00 0.00 C ATOM 55 O SER A 5 1.303 -4.554 -10.964 1.00 0.00 O ATOM 56 CB SER A 5 4.346 -5.584 -9.905 1.00 0.00 C ATOM 57 OG SER A 5 3.462 -6.320 -9.067 1.00 0.00 O ATOM 0 H SER A 5 2.215 -3.591 -9.224 1.00 0.00 H new ATOM 0 HA SER A 5 4.352 -3.840 -11.158 1.00 0.00 H new ATOM 0 HB2 SER A 5 4.718 -6.229 -10.701 1.00 0.00 H new ATOM 0 HB3 SER A 5 5.212 -5.259 -9.328 1.00 0.00 H new ATOM 0 HG SER A 5 3.934 -7.093 -8.693 1.00 0.00 H new ATOM 63 N MET A 6 2.714 -5.407 -12.506 1.00 0.00 N ATOM 64 CA MET A 6 1.637 -5.917 -13.341 1.00 0.00 C ATOM 65 C MET A 6 0.887 -6.987 -12.577 1.00 0.00 C ATOM 66 O MET A 6 1.505 -7.904 -12.015 1.00 0.00 O ATOM 67 CB MET A 6 2.176 -6.477 -14.662 1.00 0.00 C ATOM 68 CG MET A 6 2.434 -5.417 -15.730 1.00 0.00 C ATOM 69 SD MET A 6 3.723 -4.234 -15.278 1.00 0.00 S ATOM 70 CE MET A 6 5.168 -5.292 -15.254 1.00 0.00 C ATOM 0 H MET A 6 3.652 -5.558 -12.878 1.00 0.00 H new ATOM 0 HA MET A 6 0.961 -5.098 -13.587 1.00 0.00 H new ATOM 0 HB2 MET A 6 3.105 -7.012 -14.465 1.00 0.00 H new ATOM 0 HB3 MET A 6 1.465 -7.205 -15.052 1.00 0.00 H new ATOM 0 HG2 MET A 6 2.716 -5.911 -16.660 1.00 0.00 H new ATOM 0 HG3 MET A 6 1.508 -4.876 -15.924 1.00 0.00 H new ATOM 0 HE1 MET A 6 6.044 -4.718 -15.556 1.00 0.00 H new ATOM 0 HE2 MET A 6 5.318 -5.680 -14.247 1.00 0.00 H new ATOM 0 HE3 MET A 6 5.022 -6.123 -15.945 1.00 0.00 H new ATOM 80 N VAL A 7 -0.437 -6.881 -12.570 1.00 0.00 N ATOM 81 CA VAL A 7 -1.281 -7.745 -11.759 1.00 0.00 C ATOM 82 C VAL A 7 -0.869 -7.599 -10.294 1.00 0.00 C ATOM 83 O VAL A 7 -0.252 -8.494 -9.702 1.00 0.00 O ATOM 84 CB VAL A 7 -1.217 -9.239 -12.192 1.00 0.00 C ATOM 85 CG1 VAL A 7 -2.250 -10.068 -11.433 1.00 0.00 C ATOM 86 CG2 VAL A 7 -1.428 -9.375 -13.693 1.00 0.00 C ATOM 0 H VAL A 7 -0.952 -6.197 -13.124 1.00 0.00 H new ATOM 0 HA VAL A 7 -2.315 -7.431 -11.901 1.00 0.00 H new ATOM 0 HB VAL A 7 -0.225 -9.618 -11.948 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -2.187 -11.108 -11.752 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -2.053 -10.004 -10.363 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -3.249 -9.684 -11.642 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -1.379 -10.427 -13.973 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -2.405 -8.973 -13.961 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -0.651 -8.822 -14.221 1.00 0.00 H new ATOM 96 N LYS A 8 -1.179 -6.441 -9.733 1.00 0.00 N ATOM 97 CA LYS A 8 -0.806 -6.126 -8.367 1.00 0.00 C ATOM 98 C LYS A 8 -1.697 -6.869 -7.394 1.00 0.00 C ATOM 99 O LYS A 8 -2.922 -6.862 -7.530 1.00 0.00 O ATOM 100 CB LYS A 8 -0.889 -4.610 -8.125 1.00 0.00 C ATOM 101 CG LYS A 8 -2.278 -4.030 -8.350 1.00 0.00 C ATOM 102 CD LYS A 8 -2.307 -2.532 -8.115 1.00 0.00 C ATOM 103 CE LYS A 8 -3.682 -1.952 -8.412 1.00 0.00 C ATOM 104 NZ LYS A 8 -4.737 -2.515 -7.529 1.00 0.00 N ATOM 0 H LYS A 8 -1.692 -5.699 -10.209 1.00 0.00 H new ATOM 0 HA LYS A 8 0.224 -6.444 -8.205 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -0.577 -4.397 -7.103 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -0.183 -4.106 -8.785 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -2.601 -4.245 -9.369 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -2.988 -4.517 -7.681 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -2.036 -2.319 -7.081 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -1.562 -2.048 -8.746 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -3.650 -0.869 -8.291 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -3.940 -2.149 -9.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -5.617 -1.973 -7.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -4.906 -3.510 -7.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -4.428 -2.456 -6.538 1.00 0.00 H new ATOM 118 N GLU A 9 -1.094 -7.523 -6.431 1.00 0.00 N ATOM 119 CA GLU A 9 -1.853 -8.277 -5.475 1.00 0.00 C ATOM 120 C GLU A 9 -1.225 -8.177 -4.082 1.00 0.00 C ATOM 121 O GLU A 9 -0.009 -8.067 -3.953 1.00 0.00 O ATOM 122 CB GLU A 9 -1.934 -9.735 -5.934 1.00 0.00 C ATOM 123 CG GLU A 9 -2.937 -10.577 -5.176 1.00 0.00 C ATOM 124 CD GLU A 9 -3.000 -11.992 -5.694 1.00 0.00 C ATOM 125 OE1 GLU A 9 -3.853 -12.273 -6.561 1.00 0.00 O ATOM 126 OE2 GLU A 9 -2.195 -12.831 -5.242 1.00 0.00 O ATOM 0 H GLU A 9 -0.084 -7.546 -6.292 1.00 0.00 H new ATOM 0 HA GLU A 9 -2.860 -7.866 -5.411 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -2.189 -9.755 -6.994 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -0.948 -10.189 -5.834 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -2.672 -10.590 -4.119 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -3.924 -10.120 -5.252 1.00 0.00 H new ATOM 133 N THR A 10 -2.086 -8.157 -3.059 1.00 0.00 N ATOM 134 CA THR A 10 -1.696 -8.144 -1.629 1.00 0.00 C ATOM 135 C THR A 10 -0.964 -6.864 -1.189 1.00 0.00 C ATOM 136 O THR A 10 -0.296 -6.853 -0.155 1.00 0.00 O ATOM 137 CB THR A 10 -0.876 -9.408 -1.202 1.00 0.00 C ATOM 138 OG1 THR A 10 0.389 -9.469 -1.879 1.00 0.00 O ATOM 139 CG2 THR A 10 -1.658 -10.678 -1.491 1.00 0.00 C ATOM 0 H THR A 10 -3.097 -8.149 -3.196 1.00 0.00 H new ATOM 0 HA THR A 10 -2.650 -8.165 -1.103 1.00 0.00 H new ATOM 0 HB THR A 10 -0.695 -9.326 -0.130 1.00 0.00 H new ATOM 0 HG1 THR A 10 0.491 -8.682 -2.454 1.00 0.00 H new ATOM 0 HG21 THR A 10 -1.070 -11.544 -1.187 1.00 0.00 H new ATOM 0 HG22 THR A 10 -2.596 -10.662 -0.935 1.00 0.00 H new ATOM 0 HG23 THR A 10 -1.870 -10.740 -2.558 1.00 0.00 H new ATOM 147 N LYS A 11 -1.160 -5.780 -1.929 1.00 0.00 N ATOM 148 CA LYS A 11 -0.514 -4.502 -1.609 1.00 0.00 C ATOM 149 C LYS A 11 -0.882 -3.999 -0.234 1.00 0.00 C ATOM 150 O LYS A 11 -0.036 -3.488 0.478 1.00 0.00 O ATOM 151 CB LYS A 11 -0.855 -3.424 -2.617 1.00 0.00 C ATOM 152 CG LYS A 11 -0.168 -3.577 -3.946 1.00 0.00 C ATOM 153 CD LYS A 11 -0.543 -2.443 -4.885 1.00 0.00 C ATOM 154 CE LYS A 11 -0.198 -1.074 -4.285 1.00 0.00 C ATOM 155 NZ LYS A 11 1.248 -0.933 -3.967 1.00 0.00 N ATOM 0 H LYS A 11 -1.759 -5.754 -2.754 1.00 0.00 H new ATOM 0 HA LYS A 11 0.556 -4.707 -1.641 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -1.933 -3.421 -2.777 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -0.593 -2.454 -2.196 1.00 0.00 H new ATOM 0 HG2 LYS A 11 0.912 -3.592 -3.802 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -0.443 -4.532 -4.394 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -0.020 -2.567 -5.833 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -1.610 -2.487 -5.101 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -0.489 -0.291 -4.985 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -0.782 -0.923 -3.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 1.591 -0.014 -4.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 1.384 -0.989 -2.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 1.781 -1.697 -4.429 1.00 0.00 H new ATOM 169 N PHE A 12 -2.126 -4.155 0.142 1.00 0.00 N ATOM 170 CA PHE A 12 -2.580 -3.681 1.433 1.00 0.00 C ATOM 171 C PHE A 12 -2.004 -4.512 2.565 1.00 0.00 C ATOM 172 O PHE A 12 -1.714 -3.986 3.642 1.00 0.00 O ATOM 173 CB PHE A 12 -4.100 -3.601 1.513 1.00 0.00 C ATOM 174 CG PHE A 12 -4.667 -2.375 0.848 1.00 0.00 C ATOM 175 CD1 PHE A 12 -5.643 -2.473 -0.124 1.00 0.00 C ATOM 176 CD2 PHE A 12 -4.219 -1.116 1.212 1.00 0.00 C ATOM 177 CE1 PHE A 12 -6.167 -1.336 -0.715 1.00 0.00 C ATOM 178 CE2 PHE A 12 -4.732 0.018 0.627 1.00 0.00 C ATOM 179 CZ PHE A 12 -5.707 -0.089 -0.333 1.00 0.00 C ATOM 0 H PHE A 12 -2.845 -4.606 -0.424 1.00 0.00 H new ATOM 0 HA PHE A 12 -2.204 -2.664 1.548 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -4.529 -4.489 1.049 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -4.403 -3.611 2.560 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -6.001 -3.446 -0.426 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -3.454 -1.023 1.968 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -6.933 -1.423 -1.472 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -4.368 0.991 0.923 1.00 0.00 H new ATOM 0 HZ PHE A 12 -6.115 0.800 -0.790 1.00 0.00 H new ATOM 189 N TYR A 13 -1.822 -5.809 2.319 1.00 0.00 N ATOM 190 CA TYR A 13 -1.215 -6.668 3.321 1.00 0.00 C ATOM 191 C TYR A 13 0.245 -6.265 3.472 1.00 0.00 C ATOM 192 O TYR A 13 0.771 -6.173 4.579 1.00 0.00 O ATOM 193 CB TYR A 13 -1.314 -8.148 2.929 1.00 0.00 C ATOM 194 CG TYR A 13 -2.733 -8.684 2.818 1.00 0.00 C ATOM 195 CD1 TYR A 13 -3.304 -8.926 1.580 1.00 0.00 C ATOM 196 CD2 TYR A 13 -3.489 -8.958 3.952 1.00 0.00 C ATOM 197 CE1 TYR A 13 -4.586 -9.429 1.467 1.00 0.00 C ATOM 198 CE2 TYR A 13 -4.775 -9.460 3.849 1.00 0.00 C ATOM 199 CZ TYR A 13 -5.317 -9.695 2.602 1.00 0.00 C ATOM 200 OH TYR A 13 -6.592 -10.206 2.492 1.00 0.00 O ATOM 0 H TYR A 13 -2.082 -6.276 1.450 1.00 0.00 H new ATOM 0 HA TYR A 13 -1.747 -6.547 4.265 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -0.811 -8.291 1.973 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -0.773 -8.742 3.666 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -2.736 -8.718 0.685 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -3.066 -8.776 4.929 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -5.012 -9.613 0.492 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -5.351 -9.666 4.739 1.00 0.00 H new ATOM 0 HH TYR A 13 -6.580 -10.991 1.906 1.00 0.00 H new ATOM 210 N ASP A 14 0.882 -6.008 2.325 1.00 0.00 N ATOM 211 CA ASP A 14 2.267 -5.526 2.277 1.00 0.00 C ATOM 212 C ASP A 14 2.421 -4.205 2.998 1.00 0.00 C ATOM 213 O ASP A 14 3.363 -4.014 3.766 1.00 0.00 O ATOM 214 CB ASP A 14 2.715 -5.330 0.824 1.00 0.00 C ATOM 215 CG ASP A 14 2.944 -6.622 0.070 1.00 0.00 C ATOM 216 OD1 ASP A 14 3.420 -7.602 0.686 1.00 0.00 O ATOM 217 OD2 ASP A 14 2.676 -6.659 -1.144 1.00 0.00 O ATOM 0 H ASP A 14 0.454 -6.128 1.407 1.00 0.00 H new ATOM 0 HA ASP A 14 2.883 -6.279 2.768 1.00 0.00 H new ATOM 0 HB2 ASP A 14 1.961 -4.743 0.298 1.00 0.00 H new ATOM 0 HB3 ASP A 14 3.636 -4.748 0.814 1.00 0.00 H new ATOM 222 N ILE A 15 1.494 -3.300 2.753 1.00 0.00 N ATOM 223 CA ILE A 15 1.527 -1.984 3.368 1.00 0.00 C ATOM 224 C ILE A 15 1.429 -2.063 4.892 1.00 0.00 C ATOM 225 O ILE A 15 2.230 -1.451 5.600 1.00 0.00 O ATOM 226 CB ILE A 15 0.410 -1.083 2.789 1.00 0.00 C ATOM 227 CG1 ILE A 15 0.735 -0.706 1.341 1.00 0.00 C ATOM 228 CG2 ILE A 15 0.193 0.166 3.642 1.00 0.00 C ATOM 229 CD1 ILE A 15 -0.406 -0.025 0.619 1.00 0.00 C ATOM 0 H ILE A 15 0.702 -3.452 2.128 1.00 0.00 H new ATOM 0 HA ILE A 15 2.492 -1.536 3.130 1.00 0.00 H new ATOM 0 HB ILE A 15 -0.521 -1.649 2.805 1.00 0.00 H new ATOM 0 HG12 ILE A 15 1.603 -0.047 1.333 1.00 0.00 H new ATOM 0 HG13 ILE A 15 1.013 -1.607 0.794 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -0.599 0.773 3.203 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -0.093 -0.128 4.652 1.00 0.00 H new ATOM 0 HG23 ILE A 15 1.116 0.745 3.680 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -0.102 0.212 -0.401 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -1.270 -0.690 0.595 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -0.670 0.894 1.142 1.00 0.00 H new ATOM 241 N LEU A 16 0.459 -2.808 5.392 1.00 0.00 N ATOM 242 CA LEU A 16 0.332 -2.993 6.833 1.00 0.00 C ATOM 243 C LEU A 16 1.468 -3.834 7.429 1.00 0.00 C ATOM 244 O LEU A 16 1.817 -3.668 8.597 1.00 0.00 O ATOM 245 CB LEU A 16 -1.034 -3.569 7.218 1.00 0.00 C ATOM 246 CG LEU A 16 -2.244 -2.646 7.009 1.00 0.00 C ATOM 247 CD1 LEU A 16 -3.522 -3.369 7.381 1.00 0.00 C ATOM 248 CD2 LEU A 16 -2.096 -1.373 7.830 1.00 0.00 C ATOM 0 H LEU A 16 -0.245 -3.290 4.833 1.00 0.00 H new ATOM 0 HA LEU A 16 0.412 -1.997 7.268 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.196 -4.481 6.643 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.000 -3.857 8.269 1.00 0.00 H new ATOM 0 HG LEU A 16 -2.291 -2.370 5.956 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.373 -2.705 7.229 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.635 -4.254 6.754 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.479 -3.669 8.428 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.963 -0.733 7.668 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.026 -1.628 8.887 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.193 -0.845 7.523 1.00 0.00 H new ATOM 260 N GLY A 17 2.052 -4.716 6.634 1.00 0.00 N ATOM 261 CA GLY A 17 3.113 -5.565 7.148 1.00 0.00 C ATOM 262 C GLY A 17 2.559 -6.829 7.770 1.00 0.00 C ATOM 263 O GLY A 17 3.211 -7.479 8.597 1.00 0.00 O ATOM 0 H GLY A 17 1.816 -4.861 5.652 1.00 0.00 H new ATOM 0 HA2 GLY A 17 3.796 -5.825 6.340 1.00 0.00 H new ATOM 0 HA3 GLY A 17 3.692 -5.016 7.891 1.00 0.00 H new ATOM 267 N VAL A 18 1.350 -7.157 7.377 1.00 0.00 N ATOM 268 CA VAL A 18 0.655 -8.339 7.854 1.00 0.00 C ATOM 269 C VAL A 18 0.635 -9.400 6.766 1.00 0.00 C ATOM 270 O VAL A 18 0.802 -9.078 5.588 1.00 0.00 O ATOM 271 CB VAL A 18 -0.797 -8.007 8.263 1.00 0.00 C ATOM 272 CG1 VAL A 18 -0.805 -7.070 9.441 1.00 0.00 C ATOM 273 CG2 VAL A 18 -1.566 -7.401 7.094 1.00 0.00 C ATOM 0 H VAL A 18 0.811 -6.606 6.709 1.00 0.00 H new ATOM 0 HA VAL A 18 1.188 -8.711 8.729 1.00 0.00 H new ATOM 0 HB VAL A 18 -1.293 -8.934 8.550 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.834 -6.844 9.719 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -0.296 -7.540 10.283 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.290 -6.147 9.175 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -2.586 -7.176 7.407 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -1.074 -6.483 6.772 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -1.589 -8.110 6.267 1.00 0.00 H new ATOM 283 N PRO A 19 0.448 -10.679 7.124 1.00 0.00 N ATOM 284 CA PRO A 19 0.366 -11.749 6.136 1.00 0.00 C ATOM 285 C PRO A 19 -0.903 -11.621 5.320 1.00 0.00 C ATOM 286 O PRO A 19 -1.813 -10.887 5.691 1.00 0.00 O ATOM 287 CB PRO A 19 0.300 -13.021 6.987 1.00 0.00 C ATOM 288 CG PRO A 19 -0.273 -12.567 8.276 1.00 0.00 C ATOM 289 CD PRO A 19 0.297 -11.194 8.506 1.00 0.00 C ATOM 0 HA PRO A 19 1.200 -11.737 5.434 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -0.325 -13.781 6.519 1.00 0.00 H new ATOM 0 HB3 PRO A 19 1.288 -13.461 7.123 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -1.362 -12.538 8.233 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -0.004 -13.245 9.086 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -0.371 -10.571 9.101 1.00 0.00 H new ATOM 0 HD3 PRO A 19 1.251 -11.233 9.032 1.00 0.00 H new ATOM 297 N VAL A 20 -0.969 -12.317 4.217 1.00 0.00 N ATOM 298 CA VAL A 20 -2.157 -12.299 3.394 1.00 0.00 C ATOM 299 C VAL A 20 -3.289 -12.964 4.179 1.00 0.00 C ATOM 300 O VAL A 20 -4.460 -12.618 4.048 1.00 0.00 O ATOM 301 CB VAL A 20 -1.926 -13.047 2.066 1.00 0.00 C ATOM 302 CG1 VAL A 20 -3.179 -13.036 1.211 1.00 0.00 C ATOM 303 CG2 VAL A 20 -0.755 -12.439 1.315 1.00 0.00 C ATOM 0 H VAL A 20 -0.215 -12.906 3.864 1.00 0.00 H new ATOM 0 HA VAL A 20 -2.413 -11.268 3.150 1.00 0.00 H new ATOM 0 HB VAL A 20 -1.688 -14.086 2.295 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -2.989 -13.570 0.280 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -3.991 -13.524 1.750 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -3.458 -12.006 0.988 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -0.604 -12.977 0.379 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.965 -11.391 1.101 1.00 0.00 H new ATOM 0 HG23 VAL A 20 0.145 -12.511 1.925 1.00 0.00 H new ATOM 313 N THR A 21 -2.895 -13.909 5.015 1.00 0.00 N ATOM 314 CA THR A 21 -3.807 -14.659 5.855 1.00 0.00 C ATOM 315 C THR A 21 -3.978 -13.948 7.222 1.00 0.00 C ATOM 316 O THR A 21 -4.348 -14.565 8.224 1.00 0.00 O ATOM 317 CB THR A 21 -3.247 -16.080 6.079 1.00 0.00 C ATOM 318 OG1 THR A 21 -2.750 -16.588 4.830 1.00 0.00 O ATOM 319 CG2 THR A 21 -4.326 -17.026 6.595 1.00 0.00 C ATOM 0 H THR A 21 -1.918 -14.179 5.130 1.00 0.00 H new ATOM 0 HA THR A 21 -4.778 -14.720 5.363 1.00 0.00 H new ATOM 0 HB THR A 21 -2.451 -16.021 6.821 1.00 0.00 H new ATOM 0 HG1 THR A 21 -2.391 -17.490 4.963 1.00 0.00 H new ATOM 0 HG21 THR A 21 -3.900 -18.018 6.742 1.00 0.00 H new ATOM 0 HG22 THR A 21 -4.714 -16.653 7.543 1.00 0.00 H new ATOM 0 HG23 THR A 21 -5.137 -17.084 5.869 1.00 0.00 H new ATOM 327 N ALA A 22 -3.720 -12.646 7.241 1.00 0.00 N ATOM 328 CA ALA A 22 -3.790 -11.857 8.468 1.00 0.00 C ATOM 329 C ALA A 22 -5.179 -11.815 9.066 1.00 0.00 C ATOM 330 O ALA A 22 -6.189 -11.881 8.360 1.00 0.00 O ATOM 331 CB ALA A 22 -3.308 -10.446 8.222 1.00 0.00 C ATOM 0 H ALA A 22 -3.458 -12.109 6.414 1.00 0.00 H new ATOM 0 HA ALA A 22 -3.138 -12.355 9.186 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -3.368 -9.874 9.148 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -2.274 -10.470 7.876 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -3.933 -9.975 7.464 1.00 0.00 H new ATOM 337 N THR A 23 -5.211 -11.708 10.368 1.00 0.00 N ATOM 338 CA THR A 23 -6.434 -11.579 11.112 1.00 0.00 C ATOM 339 C THR A 23 -6.641 -10.111 11.476 1.00 0.00 C ATOM 340 O THR A 23 -5.699 -9.316 11.390 1.00 0.00 O ATOM 341 CB THR A 23 -6.386 -12.433 12.396 1.00 0.00 C ATOM 342 OG1 THR A 23 -5.228 -12.073 13.170 1.00 0.00 O ATOM 343 CG2 THR A 23 -6.334 -13.917 12.060 1.00 0.00 C ATOM 0 H THR A 23 -4.373 -11.708 10.950 1.00 0.00 H new ATOM 0 HA THR A 23 -7.262 -11.932 10.498 1.00 0.00 H new ATOM 0 HB THR A 23 -7.291 -12.242 12.973 1.00 0.00 H new ATOM 0 HG1 THR A 23 -4.417 -12.350 12.694 1.00 0.00 H new ATOM 0 HG21 THR A 23 -6.301 -14.498 12.982 1.00 0.00 H new ATOM 0 HG22 THR A 23 -7.221 -14.192 11.490 1.00 0.00 H new ATOM 0 HG23 THR A 23 -5.443 -14.125 11.468 1.00 0.00 H new ATOM 351 N ASP A 24 -7.849 -9.757 11.899 1.00 0.00 N ATOM 352 CA ASP A 24 -8.170 -8.363 12.244 1.00 0.00 C ATOM 353 C ASP A 24 -7.239 -7.823 13.298 1.00 0.00 C ATOM 354 O ASP A 24 -6.903 -6.647 13.294 1.00 0.00 O ATOM 355 CB ASP A 24 -9.603 -8.212 12.744 1.00 0.00 C ATOM 356 CG ASP A 24 -9.941 -9.077 13.937 1.00 0.00 C ATOM 357 OD1 ASP A 24 -10.371 -10.234 13.741 1.00 0.00 O ATOM 358 OD2 ASP A 24 -9.795 -8.596 15.083 1.00 0.00 O ATOM 0 H ASP A 24 -8.625 -10.409 12.014 1.00 0.00 H new ATOM 0 HA ASP A 24 -8.050 -7.794 11.322 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -9.776 -7.168 13.006 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -10.287 -8.453 11.930 1.00 0.00 H new ATOM 363 N VAL A 25 -6.822 -8.680 14.187 1.00 0.00 N ATOM 364 CA VAL A 25 -5.941 -8.303 15.264 1.00 0.00 C ATOM 365 C VAL A 25 -4.577 -7.864 14.723 1.00 0.00 C ATOM 366 O VAL A 25 -4.036 -6.836 15.128 1.00 0.00 O ATOM 367 CB VAL A 25 -5.774 -9.483 16.225 1.00 0.00 C ATOM 368 CG1 VAL A 25 -4.677 -9.223 17.252 1.00 0.00 C ATOM 369 CG2 VAL A 25 -7.089 -9.798 16.920 1.00 0.00 C ATOM 0 H VAL A 25 -7.083 -9.666 14.188 1.00 0.00 H new ATOM 0 HA VAL A 25 -6.380 -7.460 15.798 1.00 0.00 H new ATOM 0 HB VAL A 25 -5.474 -10.348 15.633 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -4.589 -10.083 17.916 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -3.729 -9.062 16.739 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -4.928 -8.338 17.836 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -6.949 -10.639 17.599 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -7.420 -8.927 17.485 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -7.842 -10.054 16.175 1.00 0.00 H new ATOM 379 N GLU A 26 -4.053 -8.642 13.780 1.00 0.00 N ATOM 380 CA GLU A 26 -2.758 -8.360 13.163 1.00 0.00 C ATOM 381 C GLU A 26 -2.871 -7.110 12.327 1.00 0.00 C ATOM 382 O GLU A 26 -1.986 -6.258 12.314 1.00 0.00 O ATOM 383 CB GLU A 26 -2.357 -9.535 12.280 1.00 0.00 C ATOM 384 CG GLU A 26 -2.090 -10.807 13.052 1.00 0.00 C ATOM 385 CD GLU A 26 -1.953 -12.002 12.148 1.00 0.00 C ATOM 386 OE1 GLU A 26 -0.818 -12.469 11.934 1.00 0.00 O ATOM 387 OE2 GLU A 26 -2.987 -12.482 11.652 1.00 0.00 O ATOM 0 H GLU A 26 -4.510 -9.481 13.423 1.00 0.00 H new ATOM 0 HA GLU A 26 -2.002 -8.213 13.934 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -3.148 -9.720 11.554 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.463 -9.267 11.716 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -1.178 -10.690 13.638 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -2.902 -10.979 13.758 1.00 0.00 H new ATOM 394 N ILE A 27 -3.982 -7.017 11.650 1.00 0.00 N ATOM 395 CA ILE A 27 -4.301 -5.908 10.791 1.00 0.00 C ATOM 396 C ILE A 27 -4.404 -4.605 11.577 1.00 0.00 C ATOM 397 O ILE A 27 -3.843 -3.586 11.181 1.00 0.00 O ATOM 398 CB ILE A 27 -5.625 -6.200 10.057 1.00 0.00 C ATOM 399 CG1 ILE A 27 -5.405 -7.335 9.046 1.00 0.00 C ATOM 400 CG2 ILE A 27 -6.160 -4.947 9.372 1.00 0.00 C ATOM 401 CD1 ILE A 27 -6.678 -7.932 8.493 1.00 0.00 C ATOM 0 H ILE A 27 -4.711 -7.730 11.681 1.00 0.00 H new ATOM 0 HA ILE A 27 -3.497 -5.787 10.065 1.00 0.00 H new ATOM 0 HB ILE A 27 -6.375 -6.513 10.784 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -4.806 -6.957 8.218 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -4.825 -8.124 9.525 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -7.094 -5.182 8.862 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -6.338 -4.173 10.118 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -5.430 -4.590 8.646 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -6.431 -8.725 7.788 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -7.271 -8.344 9.309 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -7.251 -7.158 7.983 1.00 0.00 H new ATOM 413 N LYS A 28 -5.112 -4.648 12.689 1.00 0.00 N ATOM 414 CA LYS A 28 -5.317 -3.494 13.508 1.00 0.00 C ATOM 415 C LYS A 28 -4.008 -3.008 14.128 1.00 0.00 C ATOM 416 O LYS A 28 -3.737 -1.811 14.155 1.00 0.00 O ATOM 417 CB LYS A 28 -6.320 -3.822 14.590 1.00 0.00 C ATOM 418 CG LYS A 28 -6.772 -2.630 15.368 1.00 0.00 C ATOM 419 CD LYS A 28 -7.782 -3.023 16.410 1.00 0.00 C ATOM 420 CE LYS A 28 -8.420 -1.814 17.052 1.00 0.00 C ATOM 421 NZ LYS A 28 -7.429 -0.969 17.754 1.00 0.00 N ATOM 0 H LYS A 28 -5.559 -5.494 13.042 1.00 0.00 H new ATOM 0 HA LYS A 28 -5.701 -2.689 12.882 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -7.188 -4.300 14.136 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -5.879 -4.547 15.275 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -5.915 -2.156 15.847 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -7.207 -1.893 14.693 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -8.554 -3.643 15.954 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -7.298 -3.629 17.176 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -8.924 -1.222 16.288 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -9.183 -2.140 17.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -7.922 -0.218 18.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -6.883 -1.554 18.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -6.784 -0.540 17.060 1.00 0.00 H new ATOM 435 N LYS A 29 -3.197 -3.940 14.622 1.00 0.00 N ATOM 436 CA LYS A 29 -1.927 -3.575 15.229 1.00 0.00 C ATOM 437 C LYS A 29 -0.968 -3.038 14.187 1.00 0.00 C ATOM 438 O LYS A 29 -0.187 -2.133 14.460 1.00 0.00 O ATOM 439 CB LYS A 29 -1.328 -4.742 16.040 1.00 0.00 C ATOM 440 CG LYS A 29 -1.071 -6.011 15.243 1.00 0.00 C ATOM 441 CD LYS A 29 -0.695 -7.184 16.152 1.00 0.00 C ATOM 442 CE LYS A 29 0.584 -6.924 16.940 1.00 0.00 C ATOM 443 NZ LYS A 29 1.764 -6.772 16.054 1.00 0.00 N ATOM 0 H LYS A 29 -3.396 -4.940 14.613 1.00 0.00 H new ATOM 0 HA LYS A 29 -2.109 -2.771 15.942 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -0.388 -4.412 16.483 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -2.003 -4.978 16.863 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -1.961 -6.267 14.669 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -0.269 -5.834 14.526 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -1.513 -7.378 16.846 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -0.570 -8.082 15.548 1.00 0.00 H new ATOM 0 HE2 LYS A 29 0.463 -6.022 17.540 1.00 0.00 H new ATOM 0 HE3 LYS A 29 0.756 -7.747 17.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 2.627 -6.716 16.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 1.827 -7.591 15.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 1.666 -5.903 15.492 1.00 0.00 H new ATOM 457 N ALA A 30 -1.036 -3.594 12.996 1.00 0.00 N ATOM 458 CA ALA A 30 -0.280 -3.094 11.884 1.00 0.00 C ATOM 459 C ALA A 30 -0.739 -1.699 11.533 1.00 0.00 C ATOM 460 O ALA A 30 0.070 -0.833 11.221 1.00 0.00 O ATOM 461 CB ALA A 30 -0.424 -4.007 10.699 1.00 0.00 C ATOM 0 H ALA A 30 -1.618 -4.403 12.779 1.00 0.00 H new ATOM 0 HA ALA A 30 0.773 -3.057 12.163 1.00 0.00 H new ATOM 0 HB1 ALA A 30 0.156 -3.613 9.864 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -0.058 -5.000 10.958 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -1.474 -4.070 10.414 1.00 0.00 H new ATOM 467 N TYR A 31 -2.052 -1.484 11.574 1.00 0.00 N ATOM 468 CA TYR A 31 -2.603 -0.176 11.325 1.00 0.00 C ATOM 469 C TYR A 31 -2.127 0.808 12.352 1.00 0.00 C ATOM 470 O TYR A 31 -1.631 1.869 12.005 1.00 0.00 O ATOM 471 CB TYR A 31 -4.131 -0.195 11.298 1.00 0.00 C ATOM 472 CG TYR A 31 -4.737 1.197 11.331 1.00 0.00 C ATOM 473 CD1 TYR A 31 -4.649 2.048 10.239 1.00 0.00 C ATOM 474 CD2 TYR A 31 -5.378 1.663 12.475 1.00 0.00 C ATOM 475 CE1 TYR A 31 -5.183 3.323 10.286 1.00 0.00 C ATOM 476 CE2 TYR A 31 -5.916 2.930 12.525 1.00 0.00 C ATOM 477 CZ TYR A 31 -5.815 3.757 11.431 1.00 0.00 C ATOM 478 OH TYR A 31 -6.342 5.028 11.484 1.00 0.00 O ATOM 0 H TYR A 31 -2.744 -2.205 11.778 1.00 0.00 H new ATOM 0 HA TYR A 31 -2.251 0.133 10.341 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -4.468 -0.712 10.399 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -4.498 -0.766 12.151 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -4.156 1.710 9.339 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -5.455 1.020 13.339 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -5.105 3.976 9.429 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -6.415 3.272 13.420 1.00 0.00 H new ATOM 0 HH TYR A 31 -6.754 5.175 12.361 1.00 0.00 H new ATOM 488 N ARG A 32 -2.262 0.455 13.628 1.00 0.00 N ATOM 489 CA ARG A 32 -1.825 1.362 14.656 1.00 0.00 C ATOM 490 C ARG A 32 -0.326 1.584 14.637 1.00 0.00 C ATOM 491 O ARG A 32 0.123 2.671 14.925 1.00 0.00 O ATOM 492 CB ARG A 32 -2.355 1.021 16.050 1.00 0.00 C ATOM 493 CG ARG A 32 -2.004 -0.345 16.552 1.00 0.00 C ATOM 494 CD ARG A 32 -2.385 -0.500 18.011 1.00 0.00 C ATOM 495 NE ARG A 32 -2.233 -1.878 18.479 1.00 0.00 N ATOM 496 CZ ARG A 32 -2.049 -2.227 19.756 1.00 0.00 C ATOM 497 NH1 ARG A 32 -1.913 -1.294 20.695 1.00 0.00 N ATOM 498 NH2 ARG A 32 -1.995 -3.513 20.092 1.00 0.00 N ATOM 0 H ARG A 32 -2.658 -0.426 13.956 1.00 0.00 H new ATOM 0 HA ARG A 32 -2.284 2.319 14.407 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -1.973 1.759 16.756 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -3.441 1.119 16.042 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -2.518 -1.099 15.956 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -0.935 -0.518 16.431 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -1.765 0.159 18.619 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -3.418 -0.183 18.150 1.00 0.00 H new ATOM 0 HE ARG A 32 -2.270 -2.623 17.783 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -1.949 -0.307 20.442 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -1.773 -1.566 21.668 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -2.094 -4.232 19.375 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -1.855 -3.780 21.066 1.00 0.00 H new ATOM 512 N LYS A 33 0.456 0.576 14.264 1.00 0.00 N ATOM 513 CA LYS A 33 1.893 0.798 14.173 1.00 0.00 C ATOM 514 C LYS A 33 2.190 1.709 12.993 1.00 0.00 C ATOM 515 O LYS A 33 2.887 2.683 13.139 1.00 0.00 O ATOM 516 CB LYS A 33 2.703 -0.524 14.065 1.00 0.00 C ATOM 517 CG LYS A 33 2.746 -1.126 12.671 1.00 0.00 C ATOM 518 CD LYS A 33 3.542 -2.417 12.620 1.00 0.00 C ATOM 519 CE LYS A 33 3.584 -2.976 11.201 1.00 0.00 C ATOM 520 NZ LYS A 33 4.370 -4.232 11.115 1.00 0.00 N ATOM 0 H LYS A 33 0.137 -0.364 14.029 1.00 0.00 H new ATOM 0 HA LYS A 33 2.212 1.275 15.099 1.00 0.00 H new ATOM 0 HB2 LYS A 33 3.724 -0.338 14.398 1.00 0.00 H new ATOM 0 HB3 LYS A 33 2.273 -1.255 14.749 1.00 0.00 H new ATOM 0 HG2 LYS A 33 1.729 -1.317 12.329 1.00 0.00 H new ATOM 0 HG3 LYS A 33 3.184 -0.405 11.981 1.00 0.00 H new ATOM 0 HD2 LYS A 33 4.557 -2.237 12.974 1.00 0.00 H new ATOM 0 HD3 LYS A 33 3.095 -3.151 13.291 1.00 0.00 H new ATOM 0 HE2 LYS A 33 2.567 -3.162 10.856 1.00 0.00 H new ATOM 0 HE3 LYS A 33 4.017 -2.232 10.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 4.371 -4.575 10.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 5.348 -4.051 11.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 3.943 -4.952 11.732 1.00 0.00 H new ATOM 534 N CYS A 34 1.601 1.424 11.839 1.00 0.00 N ATOM 535 CA CYS A 34 1.859 2.233 10.653 1.00 0.00 C ATOM 536 C CYS A 34 1.386 3.668 10.848 1.00 0.00 C ATOM 537 O CYS A 34 2.105 4.622 10.522 1.00 0.00 O ATOM 538 CB CYS A 34 1.191 1.618 9.424 1.00 0.00 C ATOM 539 SG CYS A 34 1.938 0.065 8.878 1.00 0.00 S ATOM 0 H CYS A 34 0.951 0.651 11.698 1.00 0.00 H new ATOM 0 HA CYS A 34 2.937 2.251 10.493 1.00 0.00 H new ATOM 0 HB2 CYS A 34 0.138 1.444 9.645 1.00 0.00 H new ATOM 0 HB3 CYS A 34 1.231 2.336 8.605 1.00 0.00 H new ATOM 0 HG CYS A 34 1.438 -0.921 9.562 1.00 0.00 H new ATOM 545 N ALA A 35 0.190 3.817 11.398 1.00 0.00 N ATOM 546 CA ALA A 35 -0.378 5.125 11.637 1.00 0.00 C ATOM 547 C ALA A 35 0.407 5.892 12.695 1.00 0.00 C ATOM 548 O ALA A 35 0.767 7.025 12.491 1.00 0.00 O ATOM 549 CB ALA A 35 -1.837 4.996 12.050 1.00 0.00 C ATOM 0 H ALA A 35 -0.405 3.040 11.687 1.00 0.00 H new ATOM 0 HA ALA A 35 -0.319 5.690 10.707 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -2.254 5.987 12.227 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -2.398 4.503 11.256 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -1.906 4.405 12.963 1.00 0.00 H new ATOM 555 N LEU A 36 0.681 5.245 13.816 1.00 0.00 N ATOM 556 CA LEU A 36 1.403 5.890 14.900 1.00 0.00 C ATOM 557 C LEU A 36 2.843 6.208 14.526 1.00 0.00 C ATOM 558 O LEU A 36 3.374 7.231 14.923 1.00 0.00 O ATOM 559 CB LEU A 36 1.345 5.067 16.183 1.00 0.00 C ATOM 560 CG LEU A 36 -0.050 4.888 16.796 1.00 0.00 C ATOM 561 CD1 LEU A 36 0.022 4.059 18.066 1.00 0.00 C ATOM 562 CD2 LEU A 36 -0.707 6.235 17.059 1.00 0.00 C ATOM 0 H LEU A 36 0.416 4.277 13.999 1.00 0.00 H new ATOM 0 HA LEU A 36 0.899 6.839 15.084 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.761 4.081 15.979 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.990 5.538 16.925 1.00 0.00 H new ATOM 0 HG LEU A 36 -0.669 4.351 16.077 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.978 3.945 18.483 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.433 3.076 17.836 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.663 4.560 18.792 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -1.695 6.080 17.493 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.093 6.811 17.751 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -0.805 6.781 16.121 1.00 0.00 H new ATOM 574 N LYS A 37 3.476 5.319 13.791 1.00 0.00 N ATOM 575 CA LYS A 37 4.860 5.521 13.378 1.00 0.00 C ATOM 576 C LYS A 37 5.028 6.712 12.408 1.00 0.00 C ATOM 577 O LYS A 37 5.974 7.489 12.539 1.00 0.00 O ATOM 578 CB LYS A 37 5.429 4.228 12.758 1.00 0.00 C ATOM 579 CG LYS A 37 5.656 3.106 13.778 1.00 0.00 C ATOM 580 CD LYS A 37 5.998 1.779 13.109 1.00 0.00 C ATOM 581 CE LYS A 37 7.334 1.836 12.379 1.00 0.00 C ATOM 582 NZ LYS A 37 7.681 0.532 11.753 1.00 0.00 N ATOM 0 H LYS A 37 3.060 4.447 13.464 1.00 0.00 H new ATOM 0 HA LYS A 37 5.427 5.769 14.275 1.00 0.00 H new ATOM 0 HB2 LYS A 37 4.745 3.873 11.987 1.00 0.00 H new ATOM 0 HB3 LYS A 37 6.374 4.457 12.266 1.00 0.00 H new ATOM 0 HG2 LYS A 37 6.464 3.389 14.453 1.00 0.00 H new ATOM 0 HG3 LYS A 37 4.760 2.984 14.386 1.00 0.00 H new ATOM 0 HD2 LYS A 37 6.029 0.991 13.861 1.00 0.00 H new ATOM 0 HD3 LYS A 37 5.210 1.515 12.403 1.00 0.00 H new ATOM 0 HE2 LYS A 37 7.295 2.608 11.611 1.00 0.00 H new ATOM 0 HE3 LYS A 37 8.118 2.122 13.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 8.597 0.613 11.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 7.743 -0.201 12.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 6.946 0.270 11.065 1.00 0.00 H new ATOM 596 N TYR A 38 4.102 6.861 11.447 1.00 0.00 N ATOM 597 CA TYR A 38 4.223 7.918 10.423 1.00 0.00 C ATOM 598 C TYR A 38 3.062 8.919 10.423 1.00 0.00 C ATOM 599 O TYR A 38 2.828 9.601 9.430 1.00 0.00 O ATOM 600 CB TYR A 38 4.384 7.270 9.056 1.00 0.00 C ATOM 601 CG TYR A 38 5.645 6.446 8.961 1.00 0.00 C ATOM 602 CD1 TYR A 38 5.633 5.085 9.244 1.00 0.00 C ATOM 603 CD2 TYR A 38 6.851 7.031 8.608 1.00 0.00 C ATOM 604 CE1 TYR A 38 6.788 4.334 9.175 1.00 0.00 C ATOM 605 CE2 TYR A 38 8.009 6.286 8.535 1.00 0.00 C ATOM 606 CZ TYR A 38 7.972 4.940 8.819 1.00 0.00 C ATOM 607 OH TYR A 38 9.124 4.195 8.745 1.00 0.00 O ATOM 0 H TYR A 38 3.273 6.274 11.355 1.00 0.00 H new ATOM 0 HA TYR A 38 5.106 8.507 10.670 1.00 0.00 H new ATOM 0 HB2 TYR A 38 3.521 6.636 8.853 1.00 0.00 H new ATOM 0 HB3 TYR A 38 4.399 8.044 8.288 1.00 0.00 H new ATOM 0 HD1 TYR A 38 4.705 4.608 9.522 1.00 0.00 H new ATOM 0 HD2 TYR A 38 6.884 8.088 8.387 1.00 0.00 H new ATOM 0 HE1 TYR A 38 6.764 3.278 9.399 1.00 0.00 H new ATOM 0 HE2 TYR A 38 8.940 6.756 8.256 1.00 0.00 H new ATOM 0 HH TYR A 38 9.870 4.772 8.480 1.00 0.00 H new ATOM 617 N HIS A 39 2.365 9.013 11.534 1.00 0.00 N ATOM 618 CA HIS A 39 1.240 9.956 11.680 1.00 0.00 C ATOM 619 C HIS A 39 1.652 11.411 11.406 1.00 0.00 C ATOM 620 O HIS A 39 2.685 11.868 11.883 1.00 0.00 O ATOM 621 CB HIS A 39 0.632 9.850 13.099 1.00 0.00 C ATOM 622 CG HIS A 39 1.622 10.033 14.230 1.00 0.00 C ATOM 623 ND1 HIS A 39 1.240 10.214 15.543 1.00 0.00 N ATOM 624 CD2 HIS A 39 2.981 10.016 14.242 1.00 0.00 C ATOM 625 CE1 HIS A 39 2.315 10.296 16.307 1.00 0.00 C ATOM 626 NE2 HIS A 39 3.383 10.178 15.542 1.00 0.00 N ATOM 0 H HIS A 39 2.547 8.450 12.365 1.00 0.00 H new ATOM 0 HA HIS A 39 0.496 9.677 10.934 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -0.154 10.598 13.199 1.00 0.00 H new ATOM 0 HB3 HIS A 39 0.158 8.874 13.204 1.00 0.00 H new ATOM 0 HD1 HIS A 39 0.277 10.275 15.873 1.00 0.00 H new ATOM 0 HD2 HIS A 39 3.626 9.897 13.384 1.00 0.00 H new ATOM 0 HE1 HIS A 39 2.319 10.436 17.378 1.00 0.00 H new ATOM 634 N PRO A 40 0.812 12.160 10.657 1.00 0.00 N ATOM 635 CA PRO A 40 1.054 13.584 10.330 1.00 0.00 C ATOM 636 C PRO A 40 1.239 14.453 11.578 1.00 0.00 C ATOM 637 O PRO A 40 1.874 15.507 11.523 1.00 0.00 O ATOM 638 CB PRO A 40 -0.226 13.992 9.591 1.00 0.00 C ATOM 639 CG PRO A 40 -0.728 12.726 9.003 1.00 0.00 C ATOM 640 CD PRO A 40 -0.428 11.667 10.021 1.00 0.00 C ATOM 0 HA PRO A 40 1.969 13.718 9.753 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -0.955 14.431 10.271 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -0.021 14.735 8.820 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -1.797 12.784 8.800 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -0.235 12.511 8.055 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -1.237 11.560 10.743 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -0.284 10.691 9.558 1.00 0.00 H new ATOM 648 N ASP A 41 0.682 13.996 12.698 1.00 0.00 N ATOM 649 CA ASP A 41 0.757 14.722 13.976 1.00 0.00 C ATOM 650 C ASP A 41 2.190 14.869 14.484 1.00 0.00 C ATOM 651 O ASP A 41 2.477 15.741 15.301 1.00 0.00 O ATOM 652 CB ASP A 41 -0.112 14.053 15.048 1.00 0.00 C ATOM 653 CG ASP A 41 -1.595 14.217 14.793 1.00 0.00 C ATOM 654 OD1 ASP A 41 -2.040 15.361 14.581 1.00 0.00 O ATOM 655 OD2 ASP A 41 -2.327 13.203 14.813 1.00 0.00 O ATOM 0 H ASP A 41 0.167 13.117 12.751 1.00 0.00 H new ATOM 0 HA ASP A 41 0.372 15.723 13.780 1.00 0.00 H new ATOM 0 HB2 ASP A 41 0.128 12.991 15.092 1.00 0.00 H new ATOM 0 HB3 ASP A 41 0.133 14.476 16.022 1.00 0.00 H new ATOM 660 N LYS A 42 3.088 14.023 14.005 1.00 0.00 N ATOM 661 CA LYS A 42 4.488 14.078 14.425 1.00 0.00 C ATOM 662 C LYS A 42 5.418 13.968 13.237 1.00 0.00 C ATOM 663 O LYS A 42 6.538 14.471 13.268 1.00 0.00 O ATOM 664 CB LYS A 42 4.821 13.015 15.469 1.00 0.00 C ATOM 665 CG LYS A 42 4.208 13.275 16.835 1.00 0.00 C ATOM 666 CD LYS A 42 4.807 14.523 17.470 1.00 0.00 C ATOM 667 CE LYS A 42 4.322 14.715 18.894 1.00 0.00 C ATOM 668 NZ LYS A 42 2.855 14.914 18.957 1.00 0.00 N ATOM 0 H LYS A 42 2.878 13.290 13.327 1.00 0.00 H new ATOM 0 HA LYS A 42 4.638 15.051 14.894 1.00 0.00 H new ATOM 0 HB2 LYS A 42 4.478 12.046 15.107 1.00 0.00 H new ATOM 0 HB3 LYS A 42 5.904 12.951 15.575 1.00 0.00 H new ATOM 0 HG2 LYS A 42 3.129 13.394 16.737 1.00 0.00 H new ATOM 0 HG3 LYS A 42 4.377 12.415 17.483 1.00 0.00 H new ATOM 0 HD2 LYS A 42 5.894 14.449 17.463 1.00 0.00 H new ATOM 0 HD3 LYS A 42 4.543 15.397 16.875 1.00 0.00 H new ATOM 0 HE2 LYS A 42 4.596 13.845 19.491 1.00 0.00 H new ATOM 0 HE3 LYS A 42 4.824 15.576 19.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 2.577 15.142 19.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 2.583 15.696 18.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 2.373 14.043 18.655 1.00 0.00 H new ATOM 682 N ASN A 43 4.947 13.321 12.192 1.00 0.00 N ATOM 683 CA ASN A 43 5.713 13.175 10.981 1.00 0.00 C ATOM 684 C ASN A 43 5.167 14.132 9.935 1.00 0.00 C ATOM 685 O ASN A 43 4.093 13.911 9.378 1.00 0.00 O ATOM 686 CB ASN A 43 5.638 11.728 10.458 1.00 0.00 C ATOM 687 CG ASN A 43 6.213 10.701 11.422 1.00 0.00 C ATOM 688 OD1 ASN A 43 6.108 10.832 12.641 1.00 0.00 O ATOM 689 ND2 ASN A 43 6.843 9.679 10.877 1.00 0.00 N ATOM 0 H ASN A 43 4.026 12.884 12.162 1.00 0.00 H new ATOM 0 HA ASN A 43 6.758 13.406 11.189 1.00 0.00 H new ATOM 0 HB2 ASN A 43 4.597 11.478 10.253 1.00 0.00 H new ATOM 0 HB3 ASN A 43 6.174 11.665 9.511 1.00 0.00 H new ATOM 0 HD21 ASN A 43 7.263 8.964 11.470 1.00 0.00 H new ATOM 0 HD22 ASN A 43 6.910 9.604 9.862 1.00 0.00 H new ATOM 696 N PRO A 44 5.892 15.226 9.670 1.00 0.00 N ATOM 697 CA PRO A 44 5.464 16.254 8.721 1.00 0.00 C ATOM 698 C PRO A 44 5.680 15.866 7.260 1.00 0.00 C ATOM 699 O PRO A 44 5.227 16.564 6.356 1.00 0.00 O ATOM 700 CB PRO A 44 6.339 17.447 9.092 1.00 0.00 C ATOM 701 CG PRO A 44 7.595 16.835 9.601 1.00 0.00 C ATOM 702 CD PRO A 44 7.189 15.564 10.297 1.00 0.00 C ATOM 0 HA PRO A 44 4.392 16.440 8.790 1.00 0.00 H new ATOM 0 HB2 PRO A 44 6.528 18.085 8.229 1.00 0.00 H new ATOM 0 HB3 PRO A 44 5.863 18.069 9.850 1.00 0.00 H new ATOM 0 HG2 PRO A 44 8.286 16.628 8.784 1.00 0.00 H new ATOM 0 HG3 PRO A 44 8.106 17.509 10.288 1.00 0.00 H new ATOM 0 HD2 PRO A 44 7.924 14.773 10.149 1.00 0.00 H new ATOM 0 HD3 PRO A 44 7.089 15.710 11.373 1.00 0.00 H new ATOM 710 N SER A 45 6.385 14.771 7.029 1.00 0.00 N ATOM 711 CA SER A 45 6.684 14.338 5.677 1.00 0.00 C ATOM 712 C SER A 45 5.419 13.945 4.946 1.00 0.00 C ATOM 713 O SER A 45 4.530 13.296 5.508 1.00 0.00 O ATOM 714 CB SER A 45 7.619 13.163 5.702 1.00 0.00 C ATOM 715 OG SER A 45 8.566 13.291 6.755 1.00 0.00 O ATOM 0 H SER A 45 6.760 14.167 7.760 1.00 0.00 H new ATOM 0 HA SER A 45 7.154 15.172 5.155 1.00 0.00 H new ATOM 0 HB2 SER A 45 7.049 12.242 5.830 1.00 0.00 H new ATOM 0 HB3 SER A 45 8.139 13.086 4.747 1.00 0.00 H new ATOM 0 HG SER A 45 9.164 12.514 6.754 1.00 0.00 H new ATOM 721 N GLU A 46 5.343 14.345 3.707 1.00 0.00 N ATOM 722 CA GLU A 46 4.201 14.038 2.868 1.00 0.00 C ATOM 723 C GLU A 46 4.069 12.542 2.676 1.00 0.00 C ATOM 724 O GLU A 46 2.974 12.003 2.730 1.00 0.00 O ATOM 725 CB GLU A 46 4.296 14.742 1.505 1.00 0.00 C ATOM 726 CG GLU A 46 4.096 16.255 1.557 1.00 0.00 C ATOM 727 CD GLU A 46 5.226 16.982 2.247 1.00 0.00 C ATOM 728 OE1 GLU A 46 6.394 16.604 2.041 1.00 0.00 O ATOM 729 OE2 GLU A 46 4.956 17.936 3.000 1.00 0.00 O ATOM 0 H GLU A 46 6.067 14.894 3.243 1.00 0.00 H new ATOM 0 HA GLU A 46 3.311 14.410 3.376 1.00 0.00 H new ATOM 0 HB2 GLU A 46 5.273 14.532 1.070 1.00 0.00 H new ATOM 0 HB3 GLU A 46 3.550 14.313 0.836 1.00 0.00 H new ATOM 0 HG2 GLU A 46 3.994 16.636 0.541 1.00 0.00 H new ATOM 0 HG3 GLU A 46 3.162 16.474 2.075 1.00 0.00 H new ATOM 736 N GLU A 47 5.199 11.879 2.494 1.00 0.00 N ATOM 737 CA GLU A 47 5.235 10.435 2.306 1.00 0.00 C ATOM 738 C GLU A 47 4.704 9.727 3.529 1.00 0.00 C ATOM 739 O GLU A 47 4.002 8.728 3.427 1.00 0.00 O ATOM 740 CB GLU A 47 6.652 9.985 2.055 1.00 0.00 C ATOM 741 CG GLU A 47 7.222 10.444 0.724 1.00 0.00 C ATOM 742 CD GLU A 47 8.615 9.914 0.480 1.00 0.00 C ATOM 743 OE1 GLU A 47 8.791 8.676 0.452 1.00 0.00 O ATOM 744 OE2 GLU A 47 9.546 10.730 0.305 1.00 0.00 O ATOM 0 H GLU A 47 6.117 12.324 2.472 1.00 0.00 H new ATOM 0 HA GLU A 47 4.610 10.187 1.448 1.00 0.00 H new ATOM 0 HB2 GLU A 47 7.288 10.358 2.858 1.00 0.00 H new ATOM 0 HB3 GLU A 47 6.689 8.896 2.098 1.00 0.00 H new ATOM 0 HG2 GLU A 47 6.565 10.116 -0.082 1.00 0.00 H new ATOM 0 HG3 GLU A 47 7.241 11.533 0.696 1.00 0.00 H new ATOM 751 N ALA A 48 5.053 10.253 4.687 1.00 0.00 N ATOM 752 CA ALA A 48 4.608 9.683 5.948 1.00 0.00 C ATOM 753 C ALA A 48 3.111 9.737 6.022 1.00 0.00 C ATOM 754 O ALA A 48 2.450 8.785 6.438 1.00 0.00 O ATOM 755 CB ALA A 48 5.238 10.423 7.116 1.00 0.00 C ATOM 0 H ALA A 48 5.646 11.078 4.783 1.00 0.00 H new ATOM 0 HA ALA A 48 4.924 8.641 6.004 1.00 0.00 H new ATOM 0 HB1 ALA A 48 4.895 9.984 8.053 1.00 0.00 H new ATOM 0 HB2 ALA A 48 6.323 10.343 7.054 1.00 0.00 H new ATOM 0 HB3 ALA A 48 4.949 11.473 7.080 1.00 0.00 H new ATOM 761 N ALA A 49 2.590 10.846 5.587 1.00 0.00 N ATOM 762 CA ALA A 49 1.157 11.060 5.522 1.00 0.00 C ATOM 763 C ALA A 49 0.520 10.101 4.522 1.00 0.00 C ATOM 764 O ALA A 49 -0.576 9.584 4.748 1.00 0.00 O ATOM 765 CB ALA A 49 0.843 12.501 5.163 1.00 0.00 C ATOM 0 H ALA A 49 3.143 11.639 5.263 1.00 0.00 H new ATOM 0 HA ALA A 49 0.735 10.859 6.507 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -0.237 12.638 5.120 1.00 0.00 H new ATOM 0 HB2 ALA A 49 1.263 13.164 5.919 1.00 0.00 H new ATOM 0 HB3 ALA A 49 1.278 12.737 4.192 1.00 0.00 H new ATOM 771 N GLU A 50 1.222 9.875 3.409 1.00 0.00 N ATOM 772 CA GLU A 50 0.743 8.974 2.365 1.00 0.00 C ATOM 773 C GLU A 50 0.622 7.573 2.933 1.00 0.00 C ATOM 774 O GLU A 50 -0.374 6.878 2.720 1.00 0.00 O ATOM 775 CB GLU A 50 1.740 8.941 1.208 1.00 0.00 C ATOM 776 CG GLU A 50 1.999 10.287 0.579 1.00 0.00 C ATOM 777 CD GLU A 50 2.803 10.183 -0.693 1.00 0.00 C ATOM 778 OE1 GLU A 50 4.026 10.387 -0.648 1.00 0.00 O ATOM 779 OE2 GLU A 50 2.209 9.897 -1.756 1.00 0.00 O ATOM 0 H GLU A 50 2.125 10.306 3.210 1.00 0.00 H new ATOM 0 HA GLU A 50 -0.225 9.327 2.008 1.00 0.00 H new ATOM 0 HB2 GLU A 50 2.684 8.533 1.568 1.00 0.00 H new ATOM 0 HB3 GLU A 50 1.369 8.260 0.442 1.00 0.00 H new ATOM 0 HG2 GLU A 50 1.048 10.774 0.365 1.00 0.00 H new ATOM 0 HG3 GLU A 50 2.529 10.921 1.290 1.00 0.00 H new ATOM 786 N LYS A 51 1.639 7.190 3.685 1.00 0.00 N ATOM 787 CA LYS A 51 1.692 5.890 4.339 1.00 0.00 C ATOM 788 C LYS A 51 0.548 5.754 5.320 1.00 0.00 C ATOM 789 O LYS A 51 -0.086 4.705 5.414 1.00 0.00 O ATOM 790 CB LYS A 51 3.012 5.762 5.091 1.00 0.00 C ATOM 791 CG LYS A 51 4.227 5.657 4.193 1.00 0.00 C ATOM 792 CD LYS A 51 5.515 5.756 4.993 1.00 0.00 C ATOM 793 CE LYS A 51 5.669 4.595 5.962 1.00 0.00 C ATOM 794 NZ LYS A 51 5.738 3.291 5.259 1.00 0.00 N ATOM 0 H LYS A 51 2.457 7.774 3.861 1.00 0.00 H new ATOM 0 HA LYS A 51 1.612 5.107 3.585 1.00 0.00 H new ATOM 0 HB2 LYS A 51 3.130 6.626 5.745 1.00 0.00 H new ATOM 0 HB3 LYS A 51 2.969 4.881 5.731 1.00 0.00 H new ATOM 0 HG2 LYS A 51 4.203 4.710 3.654 1.00 0.00 H new ATOM 0 HG3 LYS A 51 4.199 6.450 3.445 1.00 0.00 H new ATOM 0 HD2 LYS A 51 6.365 5.776 4.311 1.00 0.00 H new ATOM 0 HD3 LYS A 51 5.528 6.695 5.546 1.00 0.00 H new ATOM 0 HE2 LYS A 51 6.572 4.735 6.555 1.00 0.00 H new ATOM 0 HE3 LYS A 51 4.829 4.589 6.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 6.060 2.556 5.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 4.796 3.042 4.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 6.407 3.359 4.466 1.00 0.00 H new ATOM 808 N PHE A 52 0.288 6.832 6.038 1.00 0.00 N ATOM 809 CA PHE A 52 -0.782 6.879 7.008 1.00 0.00 C ATOM 810 C PHE A 52 -2.129 6.619 6.322 1.00 0.00 C ATOM 811 O PHE A 52 -2.918 5.784 6.770 1.00 0.00 O ATOM 812 CB PHE A 52 -0.792 8.256 7.692 1.00 0.00 C ATOM 813 CG PHE A 52 -1.854 8.423 8.747 1.00 0.00 C ATOM 814 CD1 PHE A 52 -1.592 8.106 10.068 1.00 0.00 C ATOM 815 CD2 PHE A 52 -3.113 8.896 8.416 1.00 0.00 C ATOM 816 CE1 PHE A 52 -2.563 8.258 11.037 1.00 0.00 C ATOM 817 CE2 PHE A 52 -4.088 9.048 9.380 1.00 0.00 C ATOM 818 CZ PHE A 52 -3.812 8.728 10.694 1.00 0.00 C ATOM 0 H PHE A 52 0.817 7.701 5.962 1.00 0.00 H new ATOM 0 HA PHE A 52 -0.621 6.106 7.759 1.00 0.00 H new ATOM 0 HB2 PHE A 52 0.184 8.429 8.146 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.930 9.024 6.931 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -0.616 7.735 10.344 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -3.334 9.149 7.390 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -2.344 8.008 12.065 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -5.066 9.417 9.107 1.00 0.00 H new ATOM 0 HZ PHE A 52 -4.573 8.846 11.451 1.00 0.00 H new ATOM 828 N LYS A 53 -2.373 7.332 5.225 1.00 0.00 N ATOM 829 CA LYS A 53 -3.628 7.207 4.491 1.00 0.00 C ATOM 830 C LYS A 53 -3.799 5.823 3.870 1.00 0.00 C ATOM 831 O LYS A 53 -4.892 5.249 3.910 1.00 0.00 O ATOM 832 CB LYS A 53 -3.736 8.291 3.418 1.00 0.00 C ATOM 833 CG LYS A 53 -3.839 9.707 3.979 1.00 0.00 C ATOM 834 CD LYS A 53 -4.974 9.844 4.995 1.00 0.00 C ATOM 835 CE LYS A 53 -6.332 9.530 4.383 1.00 0.00 C ATOM 836 NZ LYS A 53 -6.662 10.439 3.263 1.00 0.00 N ATOM 0 H LYS A 53 -1.717 8.003 4.825 1.00 0.00 H new ATOM 0 HA LYS A 53 -4.435 7.340 5.212 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -2.865 8.231 2.766 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -4.611 8.091 2.800 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -2.895 9.978 4.452 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -3.999 10.409 3.161 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -4.791 9.173 5.834 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -4.982 10.858 5.394 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -6.339 8.500 4.027 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -7.102 9.607 5.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -7.651 10.292 2.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -6.533 11.425 3.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -6.035 10.240 2.458 1.00 0.00 H new ATOM 850 N GLU A 54 -2.733 5.280 3.308 1.00 0.00 N ATOM 851 CA GLU A 54 -2.795 3.949 2.728 1.00 0.00 C ATOM 852 C GLU A 54 -3.039 2.914 3.803 1.00 0.00 C ATOM 853 O GLU A 54 -3.795 1.960 3.605 1.00 0.00 O ATOM 854 CB GLU A 54 -1.539 3.636 1.935 1.00 0.00 C ATOM 855 CG GLU A 54 -1.419 4.470 0.679 1.00 0.00 C ATOM 856 CD GLU A 54 -0.182 4.152 -0.125 1.00 0.00 C ATOM 857 OE1 GLU A 54 -0.226 3.204 -0.941 1.00 0.00 O ATOM 858 OE2 GLU A 54 0.828 4.855 0.032 1.00 0.00 O ATOM 0 H GLU A 54 -1.822 5.734 3.241 1.00 0.00 H new ATOM 0 HA GLU A 54 -3.634 3.919 2.032 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -0.665 3.806 2.564 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -1.538 2.580 1.666 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -2.300 4.310 0.058 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -1.408 5.526 0.950 1.00 0.00 H new ATOM 865 N ALA A 55 -2.413 3.119 4.954 1.00 0.00 N ATOM 866 CA ALA A 55 -2.589 2.231 6.083 1.00 0.00 C ATOM 867 C ALA A 55 -4.034 2.262 6.549 1.00 0.00 C ATOM 868 O ALA A 55 -4.610 1.230 6.890 1.00 0.00 O ATOM 869 CB ALA A 55 -1.654 2.614 7.220 1.00 0.00 C ATOM 0 H ALA A 55 -1.777 3.898 5.126 1.00 0.00 H new ATOM 0 HA ALA A 55 -2.343 1.217 5.769 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -1.803 1.934 8.058 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -0.621 2.549 6.879 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -1.867 3.634 7.538 1.00 0.00 H new ATOM 875 N SER A 56 -4.626 3.458 6.551 1.00 0.00 N ATOM 876 CA SER A 56 -5.988 3.610 6.971 1.00 0.00 C ATOM 877 C SER A 56 -6.958 2.957 5.984 1.00 0.00 C ATOM 878 O SER A 56 -7.926 2.343 6.395 1.00 0.00 O ATOM 879 CB SER A 56 -6.331 5.085 7.244 1.00 0.00 C ATOM 880 OG SER A 56 -6.177 5.909 6.100 1.00 0.00 O ATOM 0 H SER A 56 -4.170 4.324 6.264 1.00 0.00 H new ATOM 0 HA SER A 56 -6.104 3.081 7.917 1.00 0.00 H new ATOM 0 HB2 SER A 56 -7.359 5.154 7.599 1.00 0.00 H new ATOM 0 HB3 SER A 56 -5.692 5.459 8.044 1.00 0.00 H new ATOM 0 HG SER A 56 -5.741 5.399 5.386 1.00 0.00 H new ATOM 886 N ALA A 57 -6.677 3.072 4.675 1.00 0.00 N ATOM 887 CA ALA A 57 -7.521 2.426 3.657 1.00 0.00 C ATOM 888 C ALA A 57 -7.441 0.909 3.797 1.00 0.00 C ATOM 889 O ALA A 57 -8.450 0.188 3.684 1.00 0.00 O ATOM 890 CB ALA A 57 -7.097 2.860 2.263 1.00 0.00 C ATOM 0 H ALA A 57 -5.886 3.597 4.302 1.00 0.00 H new ATOM 0 HA ALA A 57 -8.555 2.735 3.810 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -7.731 2.373 1.522 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -7.197 3.942 2.172 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -6.058 2.577 2.094 1.00 0.00 H new ATOM 896 N ALA A 58 -6.234 0.437 4.064 1.00 0.00 N ATOM 897 CA ALA A 58 -5.987 -0.968 4.284 1.00 0.00 C ATOM 898 C ALA A 58 -6.789 -1.418 5.468 1.00 0.00 C ATOM 899 O ALA A 58 -7.436 -2.437 5.433 1.00 0.00 O ATOM 900 CB ALA A 58 -4.508 -1.205 4.541 1.00 0.00 C ATOM 0 H ALA A 58 -5.401 1.022 4.133 1.00 0.00 H new ATOM 0 HA ALA A 58 -6.280 -1.535 3.400 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -4.333 -2.268 4.706 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -3.931 -0.872 3.679 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -4.198 -0.645 5.423 1.00 0.00 H new ATOM 906 N TYR A 59 -6.773 -0.602 6.497 1.00 0.00 N ATOM 907 CA TYR A 59 -7.538 -0.838 7.699 1.00 0.00 C ATOM 908 C TYR A 59 -9.025 -0.886 7.387 1.00 0.00 C ATOM 909 O TYR A 59 -9.738 -1.705 7.911 1.00 0.00 O ATOM 910 CB TYR A 59 -7.248 0.260 8.716 1.00 0.00 C ATOM 911 CG TYR A 59 -7.976 0.124 10.033 1.00 0.00 C ATOM 912 CD1 TYR A 59 -7.545 -0.777 10.992 1.00 0.00 C ATOM 913 CD2 TYR A 59 -9.082 0.914 10.325 1.00 0.00 C ATOM 914 CE1 TYR A 59 -8.188 -0.890 12.205 1.00 0.00 C ATOM 915 CE2 TYR A 59 -9.736 0.803 11.536 1.00 0.00 C ATOM 916 CZ TYR A 59 -9.283 -0.099 12.473 1.00 0.00 C ATOM 917 OH TYR A 59 -9.923 -0.208 13.687 1.00 0.00 O ATOM 0 H TYR A 59 -6.221 0.255 6.523 1.00 0.00 H new ATOM 0 HA TYR A 59 -7.246 -1.801 8.118 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -6.176 0.278 8.912 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -7.508 1.222 8.273 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -6.689 -1.403 10.785 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -9.435 1.626 9.593 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -7.835 -1.596 12.942 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -10.597 1.420 11.747 1.00 0.00 H new ATOM 0 HH TYR A 59 -10.675 0.420 13.718 1.00 0.00 H new ATOM 927 N GLU A 60 -9.470 -0.017 6.508 1.00 0.00 N ATOM 928 CA GLU A 60 -10.884 0.088 6.185 1.00 0.00 C ATOM 929 C GLU A 60 -11.440 -1.243 5.675 1.00 0.00 C ATOM 930 O GLU A 60 -12.538 -1.643 6.048 1.00 0.00 O ATOM 931 CB GLU A 60 -11.105 1.160 5.115 1.00 0.00 C ATOM 932 CG GLU A 60 -10.812 2.576 5.574 1.00 0.00 C ATOM 933 CD GLU A 60 -11.636 2.990 6.773 1.00 0.00 C ATOM 934 OE1 GLU A 60 -12.876 2.845 6.728 1.00 0.00 O ATOM 935 OE2 GLU A 60 -11.050 3.480 7.760 1.00 0.00 O ATOM 0 H GLU A 60 -8.872 0.634 5.998 1.00 0.00 H new ATOM 0 HA GLU A 60 -11.409 0.361 7.100 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -10.475 0.933 4.255 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -12.139 1.108 4.775 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -9.754 2.661 5.820 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -11.004 3.266 4.752 1.00 0.00 H new ATOM 942 N ILE A 61 -10.688 -1.921 4.831 1.00 0.00 N ATOM 943 CA ILE A 61 -11.141 -3.199 4.295 1.00 0.00 C ATOM 944 C ILE A 61 -10.660 -4.364 5.132 1.00 0.00 C ATOM 945 O ILE A 61 -11.428 -5.244 5.488 1.00 0.00 O ATOM 946 CB ILE A 61 -10.709 -3.375 2.823 1.00 0.00 C ATOM 947 CG1 ILE A 61 -9.213 -3.078 2.658 1.00 0.00 C ATOM 948 CG2 ILE A 61 -11.542 -2.481 1.918 1.00 0.00 C ATOM 949 CD1 ILE A 61 -8.687 -3.328 1.271 1.00 0.00 C ATOM 0 H ILE A 61 -9.771 -1.618 4.502 1.00 0.00 H new ATOM 0 HA ILE A 61 -12.230 -3.190 4.334 1.00 0.00 H new ATOM 0 HB ILE A 61 -10.880 -4.412 2.533 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -9.029 -2.037 2.923 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -8.652 -3.690 3.364 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -11.226 -2.616 0.883 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -12.595 -2.746 2.014 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -11.403 -1.439 2.207 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -7.623 -3.094 1.238 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -8.837 -4.375 1.008 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -9.220 -2.696 0.560 1.00 0.00 H new ATOM 961 N LEU A 62 -9.392 -4.354 5.442 1.00 0.00 N ATOM 962 CA LEU A 62 -8.762 -5.426 6.175 1.00 0.00 C ATOM 963 C LEU A 62 -9.287 -5.573 7.616 1.00 0.00 C ATOM 964 O LEU A 62 -9.461 -6.690 8.095 1.00 0.00 O ATOM 965 CB LEU A 62 -7.259 -5.236 6.140 1.00 0.00 C ATOM 966 CG LEU A 62 -6.625 -5.310 4.744 1.00 0.00 C ATOM 967 CD1 LEU A 62 -5.126 -5.106 4.819 1.00 0.00 C ATOM 968 CD2 LEU A 62 -6.955 -6.623 4.056 1.00 0.00 C ATOM 0 H LEU A 62 -8.758 -3.595 5.192 1.00 0.00 H new ATOM 0 HA LEU A 62 -9.022 -6.364 5.684 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -7.021 -4.267 6.579 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -6.798 -5.995 6.772 1.00 0.00 H new ATOM 0 HG LEU A 62 -7.050 -4.504 4.146 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -4.700 -5.163 3.817 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -4.913 -4.127 5.249 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -4.684 -5.881 5.445 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -6.491 -6.644 3.070 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -6.575 -7.452 4.653 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -8.036 -6.717 3.951 1.00 0.00 H new ATOM 980 N SER A 63 -9.548 -4.453 8.299 1.00 0.00 N ATOM 981 CA SER A 63 -10.075 -4.495 9.677 1.00 0.00 C ATOM 982 C SER A 63 -11.472 -5.105 9.706 1.00 0.00 C ATOM 983 O SER A 63 -11.987 -5.469 10.768 1.00 0.00 O ATOM 984 CB SER A 63 -10.105 -3.098 10.297 1.00 0.00 C ATOM 985 OG SER A 63 -10.494 -3.141 11.659 1.00 0.00 O ATOM 0 H SER A 63 -9.406 -3.513 7.929 1.00 0.00 H new ATOM 0 HA SER A 63 -9.406 -5.122 10.266 1.00 0.00 H new ATOM 0 HB2 SER A 63 -9.119 -2.641 10.214 1.00 0.00 H new ATOM 0 HB3 SER A 63 -10.797 -2.467 9.740 1.00 0.00 H new ATOM 0 HG SER A 63 -10.048 -2.419 12.150 1.00 0.00 H new ATOM 991 N ASP A 64 -12.084 -5.214 8.541 1.00 0.00 N ATOM 992 CA ASP A 64 -13.395 -5.792 8.436 1.00 0.00 C ATOM 993 C ASP A 64 -13.276 -7.158 7.827 1.00 0.00 C ATOM 994 O ASP A 64 -12.981 -7.288 6.665 1.00 0.00 O ATOM 995 CB ASP A 64 -14.349 -4.910 7.634 1.00 0.00 C ATOM 996 CG ASP A 64 -15.207 -4.032 8.522 1.00 0.00 C ATOM 997 OD1 ASP A 64 -16.356 -4.440 8.834 1.00 0.00 O ATOM 998 OD2 ASP A 64 -14.752 -2.935 8.914 1.00 0.00 O ATOM 0 H ASP A 64 -11.685 -4.906 7.654 1.00 0.00 H new ATOM 0 HA ASP A 64 -13.823 -5.873 9.435 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -13.774 -4.282 6.953 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -14.992 -5.540 7.020 1.00 0.00 H new ATOM 1003 N PRO A 65 -13.518 -8.192 8.618 1.00 0.00 N ATOM 1004 CA PRO A 65 -13.322 -9.592 8.213 1.00 0.00 C ATOM 1005 C PRO A 65 -14.043 -9.954 6.922 1.00 0.00 C ATOM 1006 O PRO A 65 -13.528 -10.717 6.107 1.00 0.00 O ATOM 1007 CB PRO A 65 -13.913 -10.370 9.385 1.00 0.00 C ATOM 1008 CG PRO A 65 -13.768 -9.451 10.537 1.00 0.00 C ATOM 1009 CD PRO A 65 -14.018 -8.087 9.989 1.00 0.00 C ATOM 0 HA PRO A 65 -12.274 -9.808 8.007 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -14.958 -10.626 9.208 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -13.380 -11.306 9.552 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -14.480 -9.694 11.326 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -12.772 -9.523 10.974 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -15.077 -7.828 10.015 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -13.489 -7.320 10.555 1.00 0.00 H new ATOM 1017 N GLU A 66 -15.200 -9.368 6.709 1.00 0.00 N ATOM 1018 CA GLU A 66 -15.984 -9.721 5.550 1.00 0.00 C ATOM 1019 C GLU A 66 -15.503 -8.944 4.351 1.00 0.00 C ATOM 1020 O GLU A 66 -15.563 -9.420 3.229 1.00 0.00 O ATOM 1021 CB GLU A 66 -17.472 -9.503 5.791 1.00 0.00 C ATOM 1022 CG GLU A 66 -18.006 -10.305 6.966 1.00 0.00 C ATOM 1023 CD GLU A 66 -17.625 -11.773 6.902 1.00 0.00 C ATOM 1024 OE1 GLU A 66 -17.968 -12.447 5.908 1.00 0.00 O ATOM 1025 OE2 GLU A 66 -16.967 -12.263 7.855 1.00 0.00 O ATOM 0 H GLU A 66 -15.613 -8.657 7.313 1.00 0.00 H new ATOM 0 HA GLU A 66 -15.849 -10.785 5.354 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -17.654 -8.443 5.969 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -18.024 -9.775 4.891 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -17.627 -9.877 7.894 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -19.092 -10.218 6.995 1.00 0.00 H new ATOM 1032 N LYS A 67 -14.966 -7.764 4.606 1.00 0.00 N ATOM 1033 CA LYS A 67 -14.457 -6.913 3.577 1.00 0.00 C ATOM 1034 C LYS A 67 -13.078 -7.373 3.203 1.00 0.00 C ATOM 1035 O LYS A 67 -12.601 -7.152 2.094 1.00 0.00 O ATOM 1036 CB LYS A 67 -14.427 -5.483 4.097 1.00 0.00 C ATOM 1037 CG LYS A 67 -15.805 -4.915 4.394 1.00 0.00 C ATOM 1038 CD LYS A 67 -16.644 -4.828 3.132 1.00 0.00 C ATOM 1039 CE LYS A 67 -18.011 -4.239 3.410 1.00 0.00 C ATOM 1040 NZ LYS A 67 -18.835 -4.163 2.177 1.00 0.00 N ATOM 0 H LYS A 67 -14.876 -7.378 5.546 1.00 0.00 H new ATOM 0 HA LYS A 67 -15.091 -6.954 2.692 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -13.825 -5.448 5.005 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -13.932 -4.848 3.362 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -16.310 -5.543 5.128 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -15.706 -3.924 4.837 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -16.127 -4.216 2.393 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -16.757 -5.822 2.700 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -18.525 -4.847 4.155 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -17.898 -3.242 3.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -19.764 -3.755 2.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -18.356 -3.563 1.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -18.963 -5.118 1.786 1.00 0.00 H new ATOM 1054 N ARG A 68 -12.457 -8.038 4.145 1.00 0.00 N ATOM 1055 CA ARG A 68 -11.144 -8.570 3.994 1.00 0.00 C ATOM 1056 C ARG A 68 -11.210 -9.764 3.051 1.00 0.00 C ATOM 1057 O ARG A 68 -10.388 -9.900 2.159 1.00 0.00 O ATOM 1058 CB ARG A 68 -10.616 -8.998 5.368 1.00 0.00 C ATOM 1059 CG ARG A 68 -9.104 -8.948 5.504 1.00 0.00 C ATOM 1060 CD ARG A 68 -8.530 -10.283 5.956 1.00 0.00 C ATOM 1061 NE ARG A 68 -8.689 -11.326 4.940 1.00 0.00 N ATOM 1062 CZ ARG A 68 -9.383 -12.456 5.120 1.00 0.00 C ATOM 1063 NH1 ARG A 68 -9.993 -12.690 6.277 1.00 0.00 N ATOM 1064 NH2 ARG A 68 -9.456 -13.354 4.150 1.00 0.00 N ATOM 0 H ARG A 68 -12.870 -8.224 5.059 1.00 0.00 H new ATOM 0 HA ARG A 68 -10.470 -7.821 3.578 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -11.058 -8.356 6.130 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -10.953 -10.014 5.573 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -8.663 -8.668 4.547 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -8.829 -8.174 6.220 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -7.472 -10.162 6.187 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -9.024 -10.596 6.876 1.00 0.00 H new ATOM 0 HE ARG A 68 -8.241 -11.181 4.035 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -9.933 -12.007 7.032 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -10.521 -13.553 6.410 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -8.982 -13.186 3.262 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -9.986 -14.214 4.290 1.00 0.00 H new ATOM 1078 N ASP A 69 -12.226 -10.628 3.256 1.00 0.00 N ATOM 1079 CA ASP A 69 -12.434 -11.794 2.389 1.00 0.00 C ATOM 1080 C ASP A 69 -12.793 -11.333 1.007 1.00 0.00 C ATOM 1081 O ASP A 69 -12.320 -11.869 0.008 1.00 0.00 O ATOM 1082 CB ASP A 69 -13.564 -12.699 2.906 1.00 0.00 C ATOM 1083 CG ASP A 69 -13.239 -13.443 4.183 1.00 0.00 C ATOM 1084 OD1 ASP A 69 -12.209 -14.147 4.229 1.00 0.00 O ATOM 1085 OD2 ASP A 69 -14.038 -13.365 5.136 1.00 0.00 O ATOM 0 H ASP A 69 -12.907 -10.537 4.010 1.00 0.00 H new ATOM 0 HA ASP A 69 -11.506 -12.366 2.382 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -14.453 -12.090 3.072 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -13.814 -13.424 2.132 1.00 0.00 H new ATOM 1090 N ILE A 70 -13.636 -10.322 0.962 1.00 0.00 N ATOM 1091 CA ILE A 70 -14.074 -9.748 -0.282 1.00 0.00 C ATOM 1092 C ILE A 70 -12.903 -9.145 -1.043 1.00 0.00 C ATOM 1093 O ILE A 70 -12.680 -9.468 -2.220 1.00 0.00 O ATOM 1094 CB ILE A 70 -15.156 -8.676 -0.019 1.00 0.00 C ATOM 1095 CG1 ILE A 70 -16.471 -9.328 0.441 1.00 0.00 C ATOM 1096 CG2 ILE A 70 -15.384 -7.787 -1.241 1.00 0.00 C ATOM 1097 CD1 ILE A 70 -17.087 -10.270 -0.576 1.00 0.00 C ATOM 0 H ILE A 70 -14.034 -9.879 1.790 1.00 0.00 H new ATOM 0 HA ILE A 70 -14.503 -10.540 -0.895 1.00 0.00 H new ATOM 0 HB ILE A 70 -14.792 -8.035 0.784 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -16.287 -9.878 1.364 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -17.190 -8.543 0.675 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -16.152 -7.047 -1.015 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -14.455 -7.279 -1.500 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -15.708 -8.400 -2.082 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -18.010 -10.687 -0.173 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -17.305 -9.723 -1.493 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -16.389 -11.078 -0.793 1.00 0.00 H new ATOM 1109 N TYR A 71 -12.114 -8.321 -0.362 1.00 0.00 N ATOM 1110 CA TYR A 71 -10.972 -7.704 -1.010 1.00 0.00 C ATOM 1111 C TYR A 71 -9.950 -8.748 -1.422 1.00 0.00 C ATOM 1112 O TYR A 71 -9.372 -8.661 -2.489 1.00 0.00 O ATOM 1113 CB TYR A 71 -10.310 -6.629 -0.153 1.00 0.00 C ATOM 1114 CG TYR A 71 -9.216 -5.916 -0.913 1.00 0.00 C ATOM 1115 CD1 TYR A 71 -9.514 -4.860 -1.764 1.00 0.00 C ATOM 1116 CD2 TYR A 71 -7.893 -6.326 -0.815 1.00 0.00 C ATOM 1117 CE1 TYR A 71 -8.528 -4.235 -2.497 1.00 0.00 C ATOM 1118 CE2 TYR A 71 -6.902 -5.702 -1.536 1.00 0.00 C ATOM 1119 CZ TYR A 71 -7.224 -4.656 -2.379 1.00 0.00 C ATOM 1120 OH TYR A 71 -6.238 -4.049 -3.128 1.00 0.00 O ATOM 0 H TYR A 71 -12.243 -8.071 0.618 1.00 0.00 H new ATOM 0 HA TYR A 71 -11.359 -7.210 -1.901 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -11.060 -5.907 0.172 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -9.894 -7.083 0.746 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -10.536 -4.522 -1.853 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -7.638 -7.148 -0.162 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -8.778 -3.420 -3.160 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -5.877 -6.028 -1.444 1.00 0.00 H new ATOM 0 HH TYR A 71 -5.734 -3.427 -2.563 1.00 0.00 H new ATOM 1130 N ASP A 72 -9.751 -9.738 -0.567 1.00 0.00 N ATOM 1131 CA ASP A 72 -8.778 -10.803 -0.817 1.00 0.00 C ATOM 1132 C ASP A 72 -9.091 -11.523 -2.122 1.00 0.00 C ATOM 1133 O ASP A 72 -8.187 -11.888 -2.874 1.00 0.00 O ATOM 1134 CB ASP A 72 -8.782 -11.805 0.335 1.00 0.00 C ATOM 1135 CG ASP A 72 -7.727 -12.872 0.184 1.00 0.00 C ATOM 1136 OD1 ASP A 72 -6.553 -12.604 0.512 1.00 0.00 O ATOM 1137 OD2 ASP A 72 -8.066 -13.993 -0.246 1.00 0.00 O ATOM 0 H ASP A 72 -10.253 -9.831 0.316 1.00 0.00 H new ATOM 0 HA ASP A 72 -7.790 -10.348 -0.894 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -8.623 -11.274 1.273 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -9.763 -12.276 0.397 1.00 0.00 H new ATOM 1142 N GLN A 73 -10.375 -11.725 -2.383 1.00 0.00 N ATOM 1143 CA GLN A 73 -10.815 -12.375 -3.611 1.00 0.00 C ATOM 1144 C GLN A 73 -10.443 -11.522 -4.819 1.00 0.00 C ATOM 1145 O GLN A 73 -10.010 -12.042 -5.851 1.00 0.00 O ATOM 1146 CB GLN A 73 -12.324 -12.617 -3.576 1.00 0.00 C ATOM 1147 CG GLN A 73 -12.746 -13.655 -2.551 1.00 0.00 C ATOM 1148 CD GLN A 73 -14.249 -13.820 -2.467 1.00 0.00 C ATOM 1149 OE1 GLN A 73 -14.842 -14.625 -3.189 1.00 0.00 O ATOM 1150 NE2 GLN A 73 -14.874 -13.069 -1.583 1.00 0.00 N ATOM 0 H GLN A 73 -11.133 -11.447 -1.759 1.00 0.00 H new ATOM 0 HA GLN A 73 -10.313 -13.339 -3.694 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -12.830 -11.676 -3.359 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -12.656 -12.937 -4.564 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -12.293 -14.614 -2.804 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -12.361 -13.370 -1.572 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -14.346 -12.415 -1.005 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -15.886 -13.141 -1.477 1.00 0.00 H new ATOM 1159 N PHE A 74 -10.618 -10.208 -4.687 1.00 0.00 N ATOM 1160 CA PHE A 74 -10.220 -9.275 -5.743 1.00 0.00 C ATOM 1161 C PHE A 74 -8.698 -9.164 -5.825 1.00 0.00 C ATOM 1162 O PHE A 74 -8.132 -8.944 -6.903 1.00 0.00 O ATOM 1163 CB PHE A 74 -10.832 -7.887 -5.516 1.00 0.00 C ATOM 1164 CG PHE A 74 -12.311 -7.823 -5.765 1.00 0.00 C ATOM 1165 CD1 PHE A 74 -13.212 -8.005 -4.734 1.00 0.00 C ATOM 1166 CD2 PHE A 74 -12.798 -7.579 -7.037 1.00 0.00 C ATOM 1167 CE1 PHE A 74 -14.571 -7.946 -4.963 1.00 0.00 C ATOM 1168 CE2 PHE A 74 -14.156 -7.518 -7.272 1.00 0.00 C ATOM 1169 CZ PHE A 74 -15.043 -7.703 -6.234 1.00 0.00 C ATOM 0 H PHE A 74 -11.030 -9.766 -3.865 1.00 0.00 H new ATOM 0 HA PHE A 74 -10.596 -9.669 -6.687 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -10.633 -7.577 -4.490 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -10.333 -7.170 -6.168 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -12.848 -8.196 -3.735 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -12.107 -7.435 -7.855 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -15.264 -8.090 -4.147 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -14.524 -7.325 -8.269 1.00 0.00 H new ATOM 0 HZ PHE A 74 -16.106 -7.658 -6.417 1.00 0.00 H new ATOM 1179 N GLY A 75 -8.049 -9.338 -4.691 1.00 0.00 N ATOM 1180 CA GLY A 75 -6.609 -9.234 -4.628 1.00 0.00 C ATOM 1181 C GLY A 75 -6.132 -7.808 -4.832 1.00 0.00 C ATOM 1182 O GLY A 75 -6.889 -6.873 -4.512 1.00 0.00 O ATOM 1183 OXT GLY A 75 -4.999 -7.617 -5.316 1.00 0.00 O ATOM 0 H GLY A 75 -8.499 -9.552 -3.801 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -6.261 -9.598 -3.661 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -6.166 -9.877 -5.388 1.00 0.00 H new TER 1187 GLY A 75