USER MOD reduce.3.24.130724 H: found=0, std=0, add=410, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 408 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 37 SER OG : rot 180:sc= 0.00379 USER MOD Set 1.2: A 38 GLN : amide:sc= -0.0744 X(o=-0.071,f=-0.031) USER MOD Set 2.1: A 30 GLN : amide:sc= 0.284 K(o=0.76,f=-4!) USER MOD Set 2.2: A 33 LYS NZ :NH3+ 161:sc= 0.475 (180deg=0) USER MOD Set 3.1: A 12 TYR OH : rot 180:sc= 0.268 USER MOD Set 3.2: A 16 ASN : amide:sc= 0.25 K(o=0.52,f=-0.76) USER MOD Single : A 1 ALA N :NH3+ -112:sc= 0.0788 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= -0.809 K(o=-0.81,f=-1.9) USER MOD Single : A 3 HIS : no HE2:sc= 0 K(o=0,f=-1.8) USER MOD Single : A 7 GLN : amide:sc= 0.872 K(o=0.87,f=-0.054) USER MOD Single : A 8 GLN : amide:sc= -0.0341 K(o=-0.034,f=-3.1!) USER MOD Single : A 9 ASN : amide:sc=-0.00607 X(o=-0.0061,f=-0.34) USER MOD Single : A 13 GLN : amide:sc= -0.0776 X(o=-0.078,f=0) USER MOD Single : A 17 MET CE :methyl 179:sc= 0 (180deg=-0.00139) USER MOD Single : A 19 ASN : amide:sc= 0.687 K(o=0.69,f=-0.7) USER MOD Single : A 21 ASN : amide:sc= 0.509 K(o=0.51,f=-7.8!) USER MOD Single : A 24 GLN : amide:sc= -0.656 X(o=-0.66,f=-0.19) USER MOD Single : A 26 ASN : amide:sc= -0.133 K(o=-0.13,f=-0.99) USER MOD Single : A 31 SER OG : rot 74:sc= 0.793 USER MOD Single : A 39 SER OG : rot 175:sc= 0 USER MOD Single : A 41 ASN : amide:sc= 0.187 X(o=0.19,f=0) USER MOD Single : A 47 GLN : amide:sc= 0.301 X(o=0.3,f=-0.13) USER MOD Single : A 48 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00776) USER MOD Single : A 50 ASN : amide:sc= -0.119 K(o=-0.12,f=-2.9) USER MOD Single : A 52 SER OG : rot -78:sc= 0.635 USER MOD Single : A 53 GLN : amide:sc= -0.0462 X(o=-0.046,f=0) USER MOD Single : A 56 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.053) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 2.972 21.732 -11.925 1.00 0.00 N ATOM 2 CA ALA A 1 1.939 20.833 -11.380 1.00 0.00 C ATOM 3 C ALA A 1 1.603 21.168 -9.926 1.00 0.00 C ATOM 4 O ALA A 1 2.348 21.885 -9.259 1.00 0.00 O ATOM 5 CB ALA A 1 2.373 19.370 -11.509 1.00 0.00 C ATOM 0 H1 ALA A 1 2.552 22.340 -12.657 1.00 0.00 H new ATOM 0 H2 ALA A 1 3.355 22.324 -11.161 1.00 0.00 H new ATOM 0 H3 ALA A 1 3.739 21.167 -12.343 1.00 0.00 H new ATOM 0 HA ALA A 1 1.034 20.983 -11.968 1.00 0.00 H new ATOM 0 HB1 ALA A 1 1.597 18.723 -11.101 1.00 0.00 H new ATOM 0 HB2 ALA A 1 2.531 19.129 -12.560 1.00 0.00 H new ATOM 0 HB3 ALA A 1 3.301 19.216 -10.958 1.00 0.00 H new ATOM 13 N GLN A 2 0.474 20.638 -9.441 1.00 0.00 N ATOM 14 CA GLN A 2 0.029 20.797 -8.062 1.00 0.00 C ATOM 15 C GLN A 2 0.883 19.954 -7.106 1.00 0.00 C ATOM 16 O GLN A 2 1.798 19.255 -7.539 1.00 0.00 O ATOM 17 CB GLN A 2 -1.475 20.484 -7.957 1.00 0.00 C ATOM 18 CG GLN A 2 -1.846 18.993 -7.882 1.00 0.00 C ATOM 19 CD GLN A 2 -1.307 18.155 -9.039 1.00 0.00 C ATOM 20 OE1 GLN A 2 -0.484 17.267 -8.835 1.00 0.00 O ATOM 21 NE2 GLN A 2 -1.782 18.425 -10.256 1.00 0.00 N ATOM 0 H GLN A 2 -0.162 20.079 -10.009 1.00 0.00 H new ATOM 0 HA GLN A 2 0.167 21.834 -7.756 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -1.869 20.982 -7.071 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -1.979 20.921 -8.819 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -1.469 18.583 -6.945 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -2.932 18.901 -7.857 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -2.465 19.172 -10.383 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -1.462 17.885 -11.060 1.00 0.00 H new ATOM 30 N HIS A 3 0.571 20.019 -5.805 1.00 0.00 N ATOM 31 CA HIS A 3 1.230 19.236 -4.766 1.00 0.00 C ATOM 32 C HIS A 3 1.194 17.746 -5.117 1.00 0.00 C ATOM 33 O HIS A 3 2.235 17.146 -5.375 1.00 0.00 O ATOM 34 CB HIS A 3 0.556 19.520 -3.417 1.00 0.00 C ATOM 35 CG HIS A 3 1.072 18.658 -2.294 1.00 0.00 C ATOM 36 ND1 HIS A 3 2.196 18.988 -1.554 1.00 0.00 N ATOM 37 CD2 HIS A 3 0.633 17.463 -1.775 1.00 0.00 C ATOM 38 CE1 HIS A 3 2.373 18.015 -0.645 1.00 0.00 C ATOM 39 NE2 HIS A 3 1.453 17.053 -0.731 1.00 0.00 N ATOM 0 H HIS A 3 -0.161 20.631 -5.444 1.00 0.00 H new ATOM 0 HA HIS A 3 2.279 19.524 -4.694 1.00 0.00 H new ATOM 0 HB2 HIS A 3 0.706 20.568 -3.158 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -0.519 19.367 -3.517 1.00 0.00 H new ATOM 0 HD1 HIS A 3 2.780 19.815 -1.677 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -0.230 16.918 -2.130 1.00 0.00 H new ATOM 0 HE1 HIS A 3 3.175 18.012 0.078 1.00 0.00 H new ATOM 47 N ASP A 4 -0.011 17.165 -5.136 1.00 0.00 N ATOM 48 CA ASP A 4 -0.260 15.816 -5.614 1.00 0.00 C ATOM 49 C ASP A 4 -1.761 15.658 -5.846 1.00 0.00 C ATOM 50 O ASP A 4 -2.538 15.685 -4.894 1.00 0.00 O ATOM 51 CB ASP A 4 0.253 14.767 -4.617 1.00 0.00 C ATOM 52 CG ASP A 4 0.034 13.362 -5.169 1.00 0.00 C ATOM 53 OD1 ASP A 4 0.812 12.978 -6.069 1.00 0.00 O ATOM 54 OD2 ASP A 4 -0.911 12.698 -4.693 1.00 0.00 O ATOM 0 H ASP A 4 -0.854 17.637 -4.810 1.00 0.00 H new ATOM 0 HA ASP A 4 0.279 15.656 -6.548 1.00 0.00 H new ATOM 0 HB2 ASP A 4 1.313 14.928 -4.423 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -0.266 14.876 -3.665 1.00 0.00 H new ATOM 59 N GLU A 5 -2.166 15.493 -7.108 1.00 0.00 N ATOM 60 CA GLU A 5 -3.552 15.235 -7.477 1.00 0.00 C ATOM 61 C GLU A 5 -3.983 13.810 -7.113 1.00 0.00 C ATOM 62 O GLU A 5 -5.146 13.588 -6.786 1.00 0.00 O ATOM 63 CB GLU A 5 -3.775 15.531 -8.968 1.00 0.00 C ATOM 64 CG GLU A 5 -2.898 14.695 -9.912 1.00 0.00 C ATOM 65 CD GLU A 5 -3.064 15.154 -11.358 1.00 0.00 C ATOM 66 OE1 GLU A 5 -4.070 14.738 -11.974 1.00 0.00 O ATOM 67 OE2 GLU A 5 -2.186 15.915 -11.821 1.00 0.00 O ATOM 0 H GLU A 5 -1.532 15.536 -7.906 1.00 0.00 H new ATOM 0 HA GLU A 5 -4.184 15.910 -6.899 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -4.823 15.353 -9.210 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -3.581 16.588 -9.150 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -1.853 14.782 -9.616 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -3.167 13.642 -9.827 1.00 0.00 H new ATOM 74 N ALA A 6 -3.057 12.844 -7.179 1.00 0.00 N ATOM 75 CA ALA A 6 -3.358 11.422 -7.061 1.00 0.00 C ATOM 76 C ALA A 6 -3.386 10.935 -5.605 1.00 0.00 C ATOM 77 O ALA A 6 -2.952 9.818 -5.331 1.00 0.00 O ATOM 78 CB ALA A 6 -2.331 10.644 -7.893 1.00 0.00 C ATOM 0 H ALA A 6 -2.065 13.037 -7.318 1.00 0.00 H new ATOM 0 HA ALA A 6 -4.364 11.245 -7.442 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -2.537 9.576 -7.819 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -2.396 10.955 -8.936 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -1.329 10.847 -7.516 1.00 0.00 H new ATOM 84 N GLN A 7 -3.905 11.745 -4.672 1.00 0.00 N ATOM 85 CA GLN A 7 -4.004 11.365 -3.267 1.00 0.00 C ATOM 86 C GLN A 7 -4.995 10.211 -3.124 1.00 0.00 C ATOM 87 O GLN A 7 -4.592 9.087 -2.837 1.00 0.00 O ATOM 88 CB GLN A 7 -4.431 12.568 -2.410 1.00 0.00 C ATOM 89 CG GLN A 7 -3.325 13.613 -2.232 1.00 0.00 C ATOM 90 CD GLN A 7 -2.221 13.145 -1.285 1.00 0.00 C ATOM 91 OE1 GLN A 7 -2.326 13.307 -0.072 1.00 0.00 O ATOM 92 NE2 GLN A 7 -1.154 12.573 -1.840 1.00 0.00 N ATOM 0 H GLN A 7 -4.265 12.677 -4.875 1.00 0.00 H new ATOM 0 HA GLN A 7 -3.027 11.038 -2.912 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -5.298 13.042 -2.870 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -4.745 12.212 -1.429 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -2.890 13.846 -3.204 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -3.760 14.536 -1.849 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -1.106 12.457 -2.852 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -0.385 12.251 -1.253 1.00 0.00 H new ATOM 101 N GLN A 8 -6.286 10.496 -3.335 1.00 0.00 N ATOM 102 CA GLN A 8 -7.378 9.531 -3.285 1.00 0.00 C ATOM 103 C GLN A 8 -7.092 8.289 -4.133 1.00 0.00 C ATOM 104 O GLN A 8 -7.388 7.175 -3.710 1.00 0.00 O ATOM 105 CB GLN A 8 -8.710 10.203 -3.670 1.00 0.00 C ATOM 106 CG GLN A 8 -8.846 10.637 -5.141 1.00 0.00 C ATOM 107 CD GLN A 8 -7.811 11.681 -5.562 1.00 0.00 C ATOM 108 OE1 GLN A 8 -7.557 12.635 -4.830 1.00 0.00 O ATOM 109 NE2 GLN A 8 -7.197 11.502 -6.732 1.00 0.00 N ATOM 0 H GLN A 8 -6.604 11.440 -3.553 1.00 0.00 H new ATOM 0 HA GLN A 8 -7.465 9.179 -2.257 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -9.522 9.514 -3.439 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -8.847 11.081 -3.039 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -8.749 9.760 -5.782 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -9.846 11.041 -5.303 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -7.433 10.698 -7.314 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -6.491 12.169 -7.045 1.00 0.00 H new ATOM 118 N ASN A 9 -6.505 8.487 -5.320 1.00 0.00 N ATOM 119 CA ASN A 9 -6.142 7.419 -6.237 1.00 0.00 C ATOM 120 C ASN A 9 -5.125 6.478 -5.588 1.00 0.00 C ATOM 121 O ASN A 9 -5.333 5.266 -5.566 1.00 0.00 O ATOM 122 CB ASN A 9 -5.598 8.043 -7.528 1.00 0.00 C ATOM 123 CG ASN A 9 -5.047 7.004 -8.501 1.00 0.00 C ATOM 124 OD1 ASN A 9 -3.879 7.068 -8.878 1.00 0.00 O ATOM 125 ND2 ASN A 9 -5.879 6.045 -8.911 1.00 0.00 N ATOM 0 H ASN A 9 -6.268 9.416 -5.669 1.00 0.00 H new ATOM 0 HA ASN A 9 -7.019 6.819 -6.480 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -6.393 8.606 -8.017 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -4.810 8.754 -7.279 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -5.552 5.330 -9.561 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -6.842 6.027 -8.575 1.00 0.00 H new ATOM 132 N ALA A 10 -4.028 7.032 -5.061 1.00 0.00 N ATOM 133 CA ALA A 10 -2.981 6.256 -4.416 1.00 0.00 C ATOM 134 C ALA A 10 -3.502 5.543 -3.165 1.00 0.00 C ATOM 135 O ALA A 10 -3.250 4.352 -3.003 1.00 0.00 O ATOM 136 CB ALA A 10 -1.794 7.162 -4.101 1.00 0.00 C ATOM 0 H ALA A 10 -3.847 8.036 -5.073 1.00 0.00 H new ATOM 0 HA ALA A 10 -2.648 5.475 -5.100 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -1.010 6.579 -3.618 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -1.409 7.592 -5.026 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -2.114 7.963 -3.434 1.00 0.00 H new ATOM 142 N PHE A 11 -4.234 6.254 -2.294 1.00 0.00 N ATOM 143 CA PHE A 11 -4.857 5.672 -1.110 1.00 0.00 C ATOM 144 C PHE A 11 -5.712 4.462 -1.489 1.00 0.00 C ATOM 145 O PHE A 11 -5.523 3.380 -0.938 1.00 0.00 O ATOM 146 CB PHE A 11 -5.714 6.716 -0.373 1.00 0.00 C ATOM 147 CG PHE A 11 -4.948 7.761 0.420 1.00 0.00 C ATOM 148 CD1 PHE A 11 -4.139 7.358 1.498 1.00 0.00 C ATOM 149 CD2 PHE A 11 -5.166 9.135 0.200 1.00 0.00 C ATOM 150 CE1 PHE A 11 -3.505 8.316 2.306 1.00 0.00 C ATOM 151 CE2 PHE A 11 -4.489 10.094 0.974 1.00 0.00 C ATOM 152 CZ PHE A 11 -3.650 9.684 2.023 1.00 0.00 C ATOM 0 H PHE A 11 -4.407 7.254 -2.398 1.00 0.00 H new ATOM 0 HA PHE A 11 -4.062 5.342 -0.441 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -6.338 7.228 -1.105 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -6.386 6.192 0.307 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -4.005 6.307 1.705 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -5.857 9.454 -0.567 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -2.905 8.000 3.147 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -4.614 11.146 0.762 1.00 0.00 H new ATOM 0 HZ PHE A 11 -3.118 10.418 2.610 1.00 0.00 H new ATOM 162 N TYR A 12 -6.646 4.646 -2.430 1.00 0.00 N ATOM 163 CA TYR A 12 -7.554 3.596 -2.869 1.00 0.00 C ATOM 164 C TYR A 12 -6.788 2.381 -3.393 1.00 0.00 C ATOM 165 O TYR A 12 -7.106 1.251 -3.029 1.00 0.00 O ATOM 166 CB TYR A 12 -8.517 4.145 -3.926 1.00 0.00 C ATOM 167 CG TYR A 12 -9.558 3.132 -4.356 1.00 0.00 C ATOM 168 CD1 TYR A 12 -10.657 2.866 -3.518 1.00 0.00 C ATOM 169 CD2 TYR A 12 -9.366 2.368 -5.522 1.00 0.00 C ATOM 170 CE1 TYR A 12 -11.560 1.840 -3.843 1.00 0.00 C ATOM 171 CE2 TYR A 12 -10.271 1.343 -5.847 1.00 0.00 C ATOM 172 CZ TYR A 12 -11.360 1.071 -5.002 1.00 0.00 C ATOM 173 OH TYR A 12 -12.220 0.054 -5.304 1.00 0.00 O ATOM 0 H TYR A 12 -6.788 5.536 -2.907 1.00 0.00 H new ATOM 0 HA TYR A 12 -8.136 3.261 -2.010 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -9.018 5.028 -3.530 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -7.947 4.466 -4.798 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -10.806 3.452 -2.623 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -8.523 2.569 -6.167 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -12.407 1.642 -3.203 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -10.129 0.764 -6.747 1.00 0.00 H new ATOM 0 HH TYR A 12 -11.938 -0.375 -6.139 1.00 0.00 H new ATOM 183 N GLN A 13 -5.776 2.609 -4.238 1.00 0.00 N ATOM 184 CA GLN A 13 -4.936 1.542 -4.761 1.00 0.00 C ATOM 185 C GLN A 13 -4.256 0.767 -3.630 1.00 0.00 C ATOM 186 O GLN A 13 -4.299 -0.458 -3.645 1.00 0.00 O ATOM 187 CB GLN A 13 -3.908 2.104 -5.744 1.00 0.00 C ATOM 188 CG GLN A 13 -4.563 2.442 -7.088 1.00 0.00 C ATOM 189 CD GLN A 13 -3.589 3.177 -8.002 1.00 0.00 C ATOM 190 OE1 GLN A 13 -3.120 2.628 -8.996 1.00 0.00 O ATOM 191 NE2 GLN A 13 -3.287 4.429 -7.662 1.00 0.00 N ATOM 0 H GLN A 13 -5.522 3.538 -4.574 1.00 0.00 H new ATOM 0 HA GLN A 13 -5.573 0.840 -5.299 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -3.449 2.999 -5.324 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -3.110 1.377 -5.897 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -4.901 1.526 -7.572 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -5.446 3.059 -6.921 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -3.701 4.845 -6.827 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -2.642 4.972 -8.236 1.00 0.00 H new ATOM 200 N VAL A 14 -3.647 1.460 -2.656 1.00 0.00 N ATOM 201 CA VAL A 14 -3.003 0.828 -1.506 1.00 0.00 C ATOM 202 C VAL A 14 -3.992 -0.060 -0.743 1.00 0.00 C ATOM 203 O VAL A 14 -3.647 -1.190 -0.401 1.00 0.00 O ATOM 204 CB VAL A 14 -2.330 1.880 -0.605 1.00 0.00 C ATOM 205 CG1 VAL A 14 -1.883 1.282 0.736 1.00 0.00 C ATOM 206 CG2 VAL A 14 -1.079 2.452 -1.287 1.00 0.00 C ATOM 0 H VAL A 14 -3.590 2.478 -2.648 1.00 0.00 H new ATOM 0 HA VAL A 14 -2.210 0.173 -1.868 1.00 0.00 H new ATOM 0 HB VAL A 14 -3.073 2.658 -0.432 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -1.413 2.057 1.341 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -2.750 0.884 1.264 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -1.168 0.479 0.556 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -0.617 3.194 -0.636 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.370 1.647 -1.481 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -1.361 2.922 -2.229 1.00 0.00 H new ATOM 216 N LEU A 15 -5.213 0.429 -0.485 1.00 0.00 N ATOM 217 CA LEU A 15 -6.254 -0.377 0.146 1.00 0.00 C ATOM 218 C LEU A 15 -6.556 -1.626 -0.689 1.00 0.00 C ATOM 219 O LEU A 15 -6.684 -2.716 -0.137 1.00 0.00 O ATOM 220 CB LEU A 15 -7.534 0.443 0.371 1.00 0.00 C ATOM 221 CG LEU A 15 -7.378 1.604 1.367 1.00 0.00 C ATOM 222 CD1 LEU A 15 -8.678 2.415 1.398 1.00 0.00 C ATOM 223 CD2 LEU A 15 -7.049 1.120 2.786 1.00 0.00 C ATOM 0 H LEU A 15 -5.499 1.383 -0.706 1.00 0.00 H new ATOM 0 HA LEU A 15 -5.882 -0.694 1.120 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -7.867 0.844 -0.586 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -8.319 -0.223 0.728 1.00 0.00 H new ATOM 0 HG LEU A 15 -6.543 2.218 1.030 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -8.575 3.240 2.102 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -8.884 2.810 0.403 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -9.501 1.772 1.710 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -6.949 1.979 3.449 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -7.851 0.475 3.145 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -6.113 0.562 2.772 1.00 0.00 H new ATOM 235 N ASN A 16 -6.661 -1.472 -2.014 1.00 0.00 N ATOM 236 CA ASN A 16 -6.937 -2.564 -2.939 1.00 0.00 C ATOM 237 C ASN A 16 -5.646 -3.325 -3.269 1.00 0.00 C ATOM 238 O ASN A 16 -5.175 -3.280 -4.405 1.00 0.00 O ATOM 239 CB ASN A 16 -7.601 -2.014 -4.213 1.00 0.00 C ATOM 240 CG ASN A 16 -9.022 -1.493 -3.987 1.00 0.00 C ATOM 241 OD1 ASN A 16 -9.300 -0.792 -3.017 1.00 0.00 O ATOM 242 ND2 ASN A 16 -9.936 -1.835 -4.899 1.00 0.00 N ATOM 0 H ASN A 16 -6.554 -0.569 -2.475 1.00 0.00 H new ATOM 0 HA ASN A 16 -7.626 -3.266 -2.469 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -6.987 -1.208 -4.614 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -7.627 -2.800 -4.968 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -10.899 -1.513 -4.802 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -9.671 -2.419 -5.693 1.00 0.00 H new ATOM 249 N MET A 17 -5.084 -4.041 -2.284 1.00 0.00 N ATOM 250 CA MET A 17 -3.912 -4.899 -2.460 1.00 0.00 C ATOM 251 C MET A 17 -4.153 -6.256 -1.788 1.00 0.00 C ATOM 252 O MET A 17 -3.703 -6.467 -0.663 1.00 0.00 O ATOM 253 CB MET A 17 -2.654 -4.191 -1.933 1.00 0.00 C ATOM 254 CG MET A 17 -2.253 -3.084 -2.913 1.00 0.00 C ATOM 255 SD MET A 17 -0.679 -2.255 -2.599 1.00 0.00 S ATOM 256 CE MET A 17 -0.672 -1.148 -4.035 1.00 0.00 C ATOM 0 H MET A 17 -5.440 -4.037 -1.328 1.00 0.00 H new ATOM 0 HA MET A 17 -3.748 -5.090 -3.521 1.00 0.00 H new ATOM 0 HB2 MET A 17 -2.846 -3.768 -0.947 1.00 0.00 H new ATOM 0 HB3 MET A 17 -1.839 -4.906 -1.820 1.00 0.00 H new ATOM 0 HG2 MET A 17 -2.218 -3.512 -3.915 1.00 0.00 H new ATOM 0 HG3 MET A 17 -3.040 -2.330 -2.916 1.00 0.00 H new ATOM 0 HE1 MET A 17 0.225 -0.529 -4.013 1.00 0.00 H new ATOM 0 HE2 MET A 17 -0.683 -1.740 -4.950 1.00 0.00 H new ATOM 0 HE3 MET A 17 -1.554 -0.509 -4.006 1.00 0.00 H new ATOM 266 N PRO A 18 -4.854 -7.182 -2.472 1.00 0.00 N ATOM 267 CA PRO A 18 -5.224 -8.500 -1.964 1.00 0.00 C ATOM 268 C PRO A 18 -4.065 -9.361 -1.455 1.00 0.00 C ATOM 269 O PRO A 18 -4.301 -10.260 -0.650 1.00 0.00 O ATOM 270 CB PRO A 18 -5.928 -9.210 -3.124 1.00 0.00 C ATOM 271 CG PRO A 18 -6.516 -8.059 -3.931 1.00 0.00 C ATOM 272 CD PRO A 18 -5.441 -6.986 -3.791 1.00 0.00 C ATOM 0 HA PRO A 18 -5.851 -8.359 -1.084 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -5.231 -9.802 -3.716 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -6.702 -9.890 -2.769 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -6.683 -8.335 -4.972 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -7.475 -7.729 -3.531 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -4.688 -7.083 -4.573 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -5.870 -5.988 -3.884 1.00 0.00 H new ATOM 280 N ASN A 19 -2.831 -9.111 -1.910 1.00 0.00 N ATOM 281 CA ASN A 19 -1.700 -9.982 -1.609 1.00 0.00 C ATOM 282 C ASN A 19 -1.046 -9.551 -0.297 1.00 0.00 C ATOM 283 O ASN A 19 -0.500 -10.389 0.418 1.00 0.00 O ATOM 284 CB ASN A 19 -0.666 -9.934 -2.739 1.00 0.00 C ATOM 285 CG ASN A 19 -1.215 -10.323 -4.112 1.00 0.00 C ATOM 286 OD1 ASN A 19 -2.336 -10.808 -4.240 1.00 0.00 O ATOM 287 ND2 ASN A 19 -0.409 -10.115 -5.155 1.00 0.00 N ATOM 0 H ASN A 19 -2.595 -8.307 -2.491 1.00 0.00 H new ATOM 0 HA ASN A 19 -2.068 -11.004 -1.514 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -0.255 -8.926 -2.797 1.00 0.00 H new ATOM 0 HB3 ASN A 19 0.159 -10.600 -2.489 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -0.718 -10.361 -6.095 1.00 0.00 H new ATOM 0 HD22 ASN A 19 0.516 -9.710 -5.012 1.00 0.00 H new ATOM 294 N LEU A 20 -1.120 -8.255 0.032 1.00 0.00 N ATOM 295 CA LEU A 20 -0.738 -7.751 1.341 1.00 0.00 C ATOM 296 C LEU A 20 -1.803 -8.137 2.367 1.00 0.00 C ATOM 297 O LEU A 20 -2.883 -8.603 2.011 1.00 0.00 O ATOM 298 CB LEU A 20 -0.594 -6.222 1.292 1.00 0.00 C ATOM 299 CG LEU A 20 0.447 -5.731 0.277 1.00 0.00 C ATOM 300 CD1 LEU A 20 0.581 -4.207 0.390 1.00 0.00 C ATOM 301 CD2 LEU A 20 1.814 -6.383 0.509 1.00 0.00 C ATOM 0 H LEU A 20 -1.448 -7.532 -0.608 1.00 0.00 H new ATOM 0 HA LEU A 20 0.218 -8.188 1.629 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.561 -5.783 1.048 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -0.321 -5.860 2.283 1.00 0.00 H new ATOM 0 HG LEU A 20 0.108 -6.010 -0.721 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.320 -3.852 -0.329 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.382 -3.741 0.181 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.901 -3.944 1.398 1.00 0.00 H new ATOM 0 HD21 LEU A 20 2.525 -6.011 -0.229 1.00 0.00 H new ATOM 0 HD22 LEU A 20 2.169 -6.138 1.510 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.723 -7.465 0.411 1.00 0.00 H new ATOM 313 N ASN A 21 -1.491 -7.922 3.648 1.00 0.00 N ATOM 314 CA ASN A 21 -2.444 -8.013 4.744 1.00 0.00 C ATOM 315 C ASN A 21 -2.821 -6.595 5.180 1.00 0.00 C ATOM 316 O ASN A 21 -2.401 -5.618 4.557 1.00 0.00 O ATOM 317 CB ASN A 21 -1.853 -8.854 5.889 1.00 0.00 C ATOM 318 CG ASN A 21 -0.642 -8.216 6.572 1.00 0.00 C ATOM 319 OD1 ASN A 21 -0.135 -7.187 6.136 1.00 0.00 O ATOM 320 ND2 ASN A 21 -0.173 -8.835 7.655 1.00 0.00 N ATOM 0 H ASN A 21 -0.549 -7.675 3.952 1.00 0.00 H new ATOM 0 HA ASN A 21 -3.355 -8.521 4.427 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -2.628 -9.027 6.636 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -1.564 -9.829 5.497 1.00 0.00 H new ATOM 0 HD21 ASN A 21 0.633 -8.455 8.151 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -0.621 -9.689 7.988 1.00 0.00 H new ATOM 327 N ALA A 22 -3.607 -6.484 6.255 1.00 0.00 N ATOM 328 CA ALA A 22 -3.988 -5.205 6.832 1.00 0.00 C ATOM 329 C ALA A 22 -2.751 -4.413 7.259 1.00 0.00 C ATOM 330 O ALA A 22 -2.623 -3.244 6.911 1.00 0.00 O ATOM 331 CB ALA A 22 -4.927 -5.440 8.018 1.00 0.00 C ATOM 0 H ALA A 22 -3.996 -7.288 6.748 1.00 0.00 H new ATOM 0 HA ALA A 22 -4.512 -4.615 6.080 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.213 -4.482 8.451 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -5.819 -5.965 7.677 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -4.418 -6.041 8.771 1.00 0.00 H new ATOM 337 N ASP A 23 -1.845 -5.051 8.011 1.00 0.00 N ATOM 338 CA ASP A 23 -0.679 -4.411 8.608 1.00 0.00 C ATOM 339 C ASP A 23 0.163 -3.669 7.568 1.00 0.00 C ATOM 340 O ASP A 23 0.427 -2.479 7.727 1.00 0.00 O ATOM 341 CB ASP A 23 0.169 -5.454 9.348 1.00 0.00 C ATOM 342 CG ASP A 23 -0.631 -6.177 10.428 1.00 0.00 C ATOM 343 OD1 ASP A 23 -1.339 -7.141 10.062 1.00 0.00 O ATOM 344 OD2 ASP A 23 -0.525 -5.751 11.599 1.00 0.00 O ATOM 0 H ASP A 23 -1.909 -6.047 8.222 1.00 0.00 H new ATOM 0 HA ASP A 23 -1.035 -3.667 9.321 1.00 0.00 H new ATOM 0 HB2 ASP A 23 0.554 -6.182 8.634 1.00 0.00 H new ATOM 0 HB3 ASP A 23 1.031 -4.965 9.801 1.00 0.00 H new ATOM 349 N GLN A 24 0.584 -4.372 6.511 1.00 0.00 N ATOM 350 CA GLN A 24 1.456 -3.822 5.484 1.00 0.00 C ATOM 351 C GLN A 24 0.764 -2.702 4.711 1.00 0.00 C ATOM 352 O GLN A 24 1.326 -1.613 4.596 1.00 0.00 O ATOM 353 CB GLN A 24 1.932 -4.932 4.536 1.00 0.00 C ATOM 354 CG GLN A 24 2.837 -5.966 5.223 1.00 0.00 C ATOM 355 CD GLN A 24 4.088 -5.353 5.848 1.00 0.00 C ATOM 356 OE1 GLN A 24 4.333 -5.520 7.040 1.00 0.00 O ATOM 357 NE2 GLN A 24 4.886 -4.642 5.049 1.00 0.00 N ATOM 0 H GLN A 24 0.324 -5.345 6.349 1.00 0.00 H new ATOM 0 HA GLN A 24 2.328 -3.391 5.975 1.00 0.00 H new ATOM 0 HB2 GLN A 24 1.064 -5.440 4.117 1.00 0.00 H new ATOM 0 HB3 GLN A 24 2.472 -4.483 3.702 1.00 0.00 H new ATOM 0 HG2 GLN A 24 2.267 -6.480 5.997 1.00 0.00 H new ATOM 0 HG3 GLN A 24 3.135 -6.719 4.494 1.00 0.00 H new ATOM 0 HE21 GLN A 24 4.649 -4.526 4.064 1.00 0.00 H new ATOM 0 HE22 GLN A 24 5.733 -4.215 5.423 1.00 0.00 H new ATOM 366 N ARG A 25 -0.442 -2.956 4.179 1.00 0.00 N ATOM 367 CA ARG A 25 -1.140 -1.963 3.373 1.00 0.00 C ATOM 368 C ARG A 25 -1.416 -0.696 4.187 1.00 0.00 C ATOM 369 O ARG A 25 -1.122 0.402 3.721 1.00 0.00 O ATOM 370 CB ARG A 25 -2.380 -2.556 2.685 1.00 0.00 C ATOM 371 CG ARG A 25 -3.633 -2.633 3.563 1.00 0.00 C ATOM 372 CD ARG A 25 -4.774 -3.320 2.810 1.00 0.00 C ATOM 373 NE ARG A 25 -4.535 -4.760 2.656 1.00 0.00 N ATOM 374 CZ ARG A 25 -5.361 -5.599 2.009 1.00 0.00 C ATOM 375 NH1 ARG A 25 -6.431 -5.140 1.345 1.00 0.00 N ATOM 376 NH2 ARG A 25 -5.122 -6.915 2.020 1.00 0.00 N ATOM 0 H ARG A 25 -0.944 -3.836 4.296 1.00 0.00 H new ATOM 0 HA ARG A 25 -0.488 -1.655 2.555 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -2.609 -1.957 1.803 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -2.138 -3.559 2.335 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -3.410 -3.183 4.477 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -3.938 -1.630 3.860 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -5.710 -3.162 3.345 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -4.888 -2.863 1.827 1.00 0.00 H new ATOM 0 HE ARG A 25 -3.686 -5.149 3.067 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -6.629 -4.140 1.326 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -7.048 -5.791 0.859 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -4.312 -7.282 2.520 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -5.750 -7.551 1.529 1.00 0.00 H new ATOM 390 N ASN A 26 -1.941 -0.846 5.411 1.00 0.00 N ATOM 391 CA ASN A 26 -2.191 0.269 6.318 1.00 0.00 C ATOM 392 C ASN A 26 -0.891 0.994 6.663 1.00 0.00 C ATOM 393 O ASN A 26 -0.894 2.214 6.788 1.00 0.00 O ATOM 394 CB ASN A 26 -2.898 -0.208 7.593 1.00 0.00 C ATOM 395 CG ASN A 26 -4.287 -0.793 7.328 1.00 0.00 C ATOM 396 OD1 ASN A 26 -4.878 -0.579 6.272 1.00 0.00 O ATOM 397 ND2 ASN A 26 -4.815 -1.541 8.297 1.00 0.00 N ATOM 0 H ASN A 26 -2.204 -1.753 5.797 1.00 0.00 H new ATOM 0 HA ASN A 26 -2.849 0.973 5.808 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -2.281 -0.961 8.083 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -2.989 0.629 8.285 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -5.738 -1.957 8.175 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -4.296 -1.698 9.161 1.00 0.00 H new ATOM 404 N GLY A 27 0.222 0.261 6.795 1.00 0.00 N ATOM 405 CA GLY A 27 1.547 0.841 6.954 1.00 0.00 C ATOM 406 C GLY A 27 1.820 1.883 5.868 1.00 0.00 C ATOM 407 O GLY A 27 2.233 3.002 6.172 1.00 0.00 O ATOM 0 H GLY A 27 0.220 -0.759 6.793 1.00 0.00 H new ATOM 0 HA2 GLY A 27 1.630 1.304 7.937 1.00 0.00 H new ATOM 0 HA3 GLY A 27 2.301 0.055 6.907 1.00 0.00 H new ATOM 411 N PHE A 28 1.564 1.523 4.604 1.00 0.00 N ATOM 412 CA PHE A 28 1.712 2.444 3.488 1.00 0.00 C ATOM 413 C PHE A 28 0.696 3.589 3.547 1.00 0.00 C ATOM 414 O PHE A 28 1.060 4.709 3.204 1.00 0.00 O ATOM 415 CB PHE A 28 1.674 1.702 2.149 1.00 0.00 C ATOM 416 CG PHE A 28 2.850 0.768 1.932 1.00 0.00 C ATOM 417 CD1 PHE A 28 4.147 1.294 1.774 1.00 0.00 C ATOM 418 CD2 PHE A 28 2.651 -0.622 1.857 1.00 0.00 C ATOM 419 CE1 PHE A 28 5.241 0.433 1.578 1.00 0.00 C ATOM 420 CE2 PHE A 28 3.747 -1.483 1.679 1.00 0.00 C ATOM 421 CZ PHE A 28 5.041 -0.956 1.531 1.00 0.00 C ATOM 0 H PHE A 28 1.251 0.590 4.335 1.00 0.00 H new ATOM 0 HA PHE A 28 2.696 2.905 3.573 1.00 0.00 H new ATOM 0 HB2 PHE A 28 0.750 1.127 2.089 1.00 0.00 H new ATOM 0 HB3 PHE A 28 1.648 2.432 1.340 1.00 0.00 H new ATOM 0 HD1 PHE A 28 4.302 2.362 1.804 1.00 0.00 H new ATOM 0 HD2 PHE A 28 1.654 -1.029 1.936 1.00 0.00 H new ATOM 0 HE1 PHE A 28 6.235 0.840 1.464 1.00 0.00 H new ATOM 0 HE2 PHE A 28 3.594 -2.552 1.656 1.00 0.00 H new ATOM 0 HZ PHE A 28 5.881 -1.618 1.381 1.00 0.00 H new ATOM 431 N ILE A 29 -0.551 3.351 3.984 1.00 0.00 N ATOM 432 CA ILE A 29 -1.528 4.429 4.166 1.00 0.00 C ATOM 433 C ILE A 29 -0.965 5.488 5.122 1.00 0.00 C ATOM 434 O ILE A 29 -0.967 6.671 4.787 1.00 0.00 O ATOM 435 CB ILE A 29 -2.895 3.899 4.652 1.00 0.00 C ATOM 436 CG1 ILE A 29 -3.554 2.904 3.680 1.00 0.00 C ATOM 437 CG2 ILE A 29 -3.868 5.049 4.953 1.00 0.00 C ATOM 438 CD1 ILE A 29 -4.018 3.508 2.352 1.00 0.00 C ATOM 0 H ILE A 29 -0.903 2.422 4.217 1.00 0.00 H new ATOM 0 HA ILE A 29 -1.705 4.892 3.195 1.00 0.00 H new ATOM 0 HB ILE A 29 -2.679 3.354 5.571 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -2.846 2.102 3.470 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -4.412 2.450 4.175 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -4.820 4.641 5.293 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -3.448 5.686 5.731 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -4.027 5.637 4.049 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -4.468 2.730 1.736 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -4.753 4.289 2.545 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -3.163 3.936 1.828 1.00 0.00 H new ATOM 450 N GLN A 30 -0.472 5.069 6.296 1.00 0.00 N ATOM 451 CA GLN A 30 0.144 5.963 7.270 1.00 0.00 C ATOM 452 C GLN A 30 1.325 6.716 6.652 1.00 0.00 C ATOM 453 O GLN A 30 1.437 7.927 6.833 1.00 0.00 O ATOM 454 CB GLN A 30 0.599 5.190 8.518 1.00 0.00 C ATOM 455 CG GLN A 30 -0.548 4.546 9.311 1.00 0.00 C ATOM 456 CD GLN A 30 -1.616 5.542 9.755 1.00 0.00 C ATOM 457 OE1 GLN A 30 -2.796 5.351 9.474 1.00 0.00 O ATOM 458 NE2 GLN A 30 -1.213 6.608 10.450 1.00 0.00 N ATOM 0 H GLN A 30 -0.493 4.093 6.592 1.00 0.00 H new ATOM 0 HA GLN A 30 -0.609 6.691 7.573 1.00 0.00 H new ATOM 0 HB2 GLN A 30 1.298 4.411 8.214 1.00 0.00 H new ATOM 0 HB3 GLN A 30 1.143 5.869 9.174 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -1.014 3.775 8.698 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -0.137 4.050 10.190 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -0.224 6.733 10.664 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -1.894 7.298 10.767 1.00 0.00 H new ATOM 467 N SER A 31 2.194 6.009 5.918 1.00 0.00 N ATOM 468 CA SER A 31 3.330 6.614 5.233 1.00 0.00 C ATOM 469 C SER A 31 2.876 7.698 4.251 1.00 0.00 C ATOM 470 O SER A 31 3.527 8.733 4.138 1.00 0.00 O ATOM 471 CB SER A 31 4.154 5.544 4.507 1.00 0.00 C ATOM 472 OG SER A 31 4.555 4.527 5.401 1.00 0.00 O ATOM 0 H SER A 31 2.124 5.000 5.786 1.00 0.00 H new ATOM 0 HA SER A 31 3.959 7.087 5.987 1.00 0.00 H new ATOM 0 HB2 SER A 31 3.565 5.112 3.698 1.00 0.00 H new ATOM 0 HB3 SER A 31 5.033 6.002 4.052 1.00 0.00 H new ATOM 0 HG SER A 31 3.785 3.963 5.622 1.00 0.00 H new ATOM 478 N LEU A 32 1.763 7.465 3.545 1.00 0.00 N ATOM 479 CA LEU A 32 1.211 8.401 2.576 1.00 0.00 C ATOM 480 C LEU A 32 0.665 9.643 3.288 1.00 0.00 C ATOM 481 O LEU A 32 0.948 10.761 2.870 1.00 0.00 O ATOM 482 CB LEU A 32 0.133 7.702 1.734 1.00 0.00 C ATOM 483 CG LEU A 32 0.150 8.117 0.256 1.00 0.00 C ATOM 484 CD1 LEU A 32 -0.911 7.316 -0.500 1.00 0.00 C ATOM 485 CD2 LEU A 32 -0.103 9.615 0.058 1.00 0.00 C ATOM 0 H LEU A 32 1.218 6.608 3.637 1.00 0.00 H new ATOM 0 HA LEU A 32 1.999 8.734 1.901 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.272 6.623 1.802 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.847 7.925 2.155 1.00 0.00 H new ATOM 0 HG LEU A 32 1.146 7.907 -0.132 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -0.905 7.605 -1.551 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.692 6.252 -0.415 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -1.893 7.519 -0.073 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -0.080 9.850 -1.006 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.079 9.876 0.466 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.670 10.186 0.573 1.00 0.00 H new ATOM 497 N LYS A 33 -0.105 9.460 4.371 1.00 0.00 N ATOM 498 CA LYS A 33 -0.596 10.572 5.181 1.00 0.00 C ATOM 499 C LYS A 33 0.564 11.418 5.710 1.00 0.00 C ATOM 500 O LYS A 33 0.480 12.645 5.706 1.00 0.00 O ATOM 501 CB LYS A 33 -1.462 10.069 6.344 1.00 0.00 C ATOM 502 CG LYS A 33 -2.796 9.494 5.855 1.00 0.00 C ATOM 503 CD LYS A 33 -3.783 9.247 7.002 1.00 0.00 C ATOM 504 CE LYS A 33 -3.278 8.180 7.976 1.00 0.00 C ATOM 505 NZ LYS A 33 -4.310 7.830 8.965 1.00 0.00 N ATOM 0 H LYS A 33 -0.400 8.542 4.704 1.00 0.00 H new ATOM 0 HA LYS A 33 -1.215 11.199 4.539 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -0.918 9.304 6.898 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -1.652 10.889 7.037 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -3.243 10.181 5.137 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -2.613 8.557 5.329 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -3.952 10.179 7.541 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -4.744 8.937 6.592 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -2.984 7.288 7.422 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -2.388 8.544 8.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -4.081 6.911 9.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -4.343 8.560 9.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -5.236 7.771 8.495 1.00 0.00 H new ATOM 519 N ASP A 34 1.644 10.765 6.159 1.00 0.00 N ATOM 520 CA ASP A 34 2.839 11.433 6.650 1.00 0.00 C ATOM 521 C ASP A 34 3.553 12.194 5.527 1.00 0.00 C ATOM 522 O ASP A 34 3.993 13.322 5.738 1.00 0.00 O ATOM 523 CB ASP A 34 3.768 10.402 7.302 1.00 0.00 C ATOM 524 CG ASP A 34 4.966 11.073 7.968 1.00 0.00 C ATOM 525 OD1 ASP A 34 4.772 11.605 9.082 1.00 0.00 O ATOM 526 OD2 ASP A 34 6.054 11.044 7.353 1.00 0.00 O ATOM 0 H ASP A 34 1.705 9.747 6.189 1.00 0.00 H new ATOM 0 HA ASP A 34 2.549 12.170 7.399 1.00 0.00 H new ATOM 0 HB2 ASP A 34 3.213 9.827 8.043 1.00 0.00 H new ATOM 0 HB3 ASP A 34 4.117 9.697 6.548 1.00 0.00 H new ATOM 531 N ASP A 35 3.668 11.574 4.345 1.00 0.00 N ATOM 532 CA ASP A 35 4.386 12.100 3.189 1.00 0.00 C ATOM 533 C ASP A 35 3.436 12.201 1.987 1.00 0.00 C ATOM 534 O ASP A 35 3.525 11.383 1.072 1.00 0.00 O ATOM 535 CB ASP A 35 5.580 11.183 2.884 1.00 0.00 C ATOM 536 CG ASP A 35 6.506 11.020 4.086 1.00 0.00 C ATOM 537 OD1 ASP A 35 7.140 12.031 4.457 1.00 0.00 O ATOM 538 OD2 ASP A 35 6.562 9.887 4.611 1.00 0.00 O ATOM 0 H ASP A 35 3.248 10.662 4.167 1.00 0.00 H new ATOM 0 HA ASP A 35 4.761 13.101 3.401 1.00 0.00 H new ATOM 0 HB2 ASP A 35 5.214 10.204 2.575 1.00 0.00 H new ATOM 0 HB3 ASP A 35 6.145 11.592 2.046 1.00 0.00 H new ATOM 543 N PRO A 36 2.524 13.190 1.964 1.00 0.00 N ATOM 544 CA PRO A 36 1.529 13.339 0.908 1.00 0.00 C ATOM 545 C PRO A 36 2.180 13.672 -0.437 1.00 0.00 C ATOM 546 O PRO A 36 1.695 13.233 -1.479 1.00 0.00 O ATOM 547 CB PRO A 36 0.575 14.434 1.391 1.00 0.00 C ATOM 548 CG PRO A 36 1.445 15.277 2.321 1.00 0.00 C ATOM 549 CD PRO A 36 2.368 14.240 2.958 1.00 0.00 C ATOM 0 HA PRO A 36 0.988 12.410 0.728 1.00 0.00 H new ATOM 0 HB2 PRO A 36 0.186 15.023 0.560 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -0.285 14.016 1.915 1.00 0.00 H new ATOM 0 HG2 PRO A 36 2.006 16.035 1.773 1.00 0.00 H new ATOM 0 HG3 PRO A 36 0.848 15.800 3.068 1.00 0.00 H new ATOM 0 HD2 PRO A 36 3.331 14.680 3.218 1.00 0.00 H new ATOM 0 HD3 PRO A 36 1.938 13.847 3.879 1.00 0.00 H new ATOM 557 N SER A 37 3.288 14.423 -0.412 1.00 0.00 N ATOM 558 CA SER A 37 4.109 14.705 -1.578 1.00 0.00 C ATOM 559 C SER A 37 4.606 13.413 -2.232 1.00 0.00 C ATOM 560 O SER A 37 4.598 13.302 -3.457 1.00 0.00 O ATOM 561 CB SER A 37 5.290 15.587 -1.158 1.00 0.00 C ATOM 562 OG SER A 37 5.944 15.033 -0.034 1.00 0.00 O ATOM 0 H SER A 37 3.639 14.857 0.442 1.00 0.00 H new ATOM 0 HA SER A 37 3.505 15.232 -2.317 1.00 0.00 H new ATOM 0 HB2 SER A 37 5.993 15.682 -1.985 1.00 0.00 H new ATOM 0 HB3 SER A 37 4.937 16.591 -0.923 1.00 0.00 H new ATOM 0 HG SER A 37 6.697 15.606 0.222 1.00 0.00 H new ATOM 568 N GLN A 38 5.029 12.435 -1.419 1.00 0.00 N ATOM 569 CA GLN A 38 5.641 11.197 -1.886 1.00 0.00 C ATOM 570 C GLN A 38 4.578 10.121 -2.136 1.00 0.00 C ATOM 571 O GLN A 38 4.774 8.956 -1.793 1.00 0.00 O ATOM 572 CB GLN A 38 6.693 10.735 -0.863 1.00 0.00 C ATOM 573 CG GLN A 38 7.704 11.831 -0.495 1.00 0.00 C ATOM 574 CD GLN A 38 8.376 12.438 -1.724 1.00 0.00 C ATOM 575 OE1 GLN A 38 8.155 13.604 -2.044 1.00 0.00 O ATOM 576 NE2 GLN A 38 9.197 11.648 -2.419 1.00 0.00 N ATOM 0 H GLN A 38 4.951 12.489 -0.403 1.00 0.00 H new ATOM 0 HA GLN A 38 6.139 11.374 -2.839 1.00 0.00 H new ATOM 0 HB2 GLN A 38 6.187 10.399 0.042 1.00 0.00 H new ATOM 0 HB3 GLN A 38 7.229 9.876 -1.266 1.00 0.00 H new ATOM 0 HG2 GLN A 38 7.196 12.617 0.064 1.00 0.00 H new ATOM 0 HG3 GLN A 38 8.466 11.413 0.163 1.00 0.00 H new ATOM 0 HE21 GLN A 38 9.353 10.686 -2.120 1.00 0.00 H new ATOM 0 HE22 GLN A 38 9.668 12.007 -3.250 1.00 0.00 H new ATOM 585 N SER A 39 3.457 10.514 -2.753 1.00 0.00 N ATOM 586 CA SER A 39 2.354 9.624 -3.075 1.00 0.00 C ATOM 587 C SER A 39 2.820 8.524 -4.027 1.00 0.00 C ATOM 588 O SER A 39 2.625 7.346 -3.745 1.00 0.00 O ATOM 589 CB SER A 39 1.212 10.435 -3.693 1.00 0.00 C ATOM 590 OG SER A 39 0.081 9.624 -3.911 1.00 0.00 O ATOM 0 H SER A 39 3.296 11.478 -3.044 1.00 0.00 H new ATOM 0 HA SER A 39 1.994 9.146 -2.164 1.00 0.00 H new ATOM 0 HB2 SER A 39 0.950 11.262 -3.034 1.00 0.00 H new ATOM 0 HB3 SER A 39 1.539 10.871 -4.637 1.00 0.00 H new ATOM 0 HG SER A 39 -0.664 10.179 -4.223 1.00 0.00 H new ATOM 596 N ALA A 40 3.441 8.921 -5.145 1.00 0.00 N ATOM 597 CA ALA A 40 3.938 8.019 -6.174 1.00 0.00 C ATOM 598 C ALA A 40 4.934 7.005 -5.607 1.00 0.00 C ATOM 599 O ALA A 40 4.884 5.832 -5.968 1.00 0.00 O ATOM 600 CB ALA A 40 4.579 8.837 -7.298 1.00 0.00 C ATOM 0 H ALA A 40 3.612 9.904 -5.358 1.00 0.00 H new ATOM 0 HA ALA A 40 3.096 7.451 -6.571 1.00 0.00 H new ATOM 0 HB1 ALA A 40 4.952 8.164 -8.070 1.00 0.00 H new ATOM 0 HB2 ALA A 40 3.836 9.508 -7.729 1.00 0.00 H new ATOM 0 HB3 ALA A 40 5.406 9.422 -6.896 1.00 0.00 H new ATOM 606 N ASN A 41 5.832 7.455 -4.722 1.00 0.00 N ATOM 607 CA ASN A 41 6.825 6.599 -4.090 1.00 0.00 C ATOM 608 C ASN A 41 6.145 5.539 -3.224 1.00 0.00 C ATOM 609 O ASN A 41 6.370 4.349 -3.428 1.00 0.00 O ATOM 610 CB ASN A 41 7.798 7.450 -3.268 1.00 0.00 C ATOM 611 CG ASN A 41 8.831 6.584 -2.550 1.00 0.00 C ATOM 612 OD1 ASN A 41 9.854 6.229 -3.128 1.00 0.00 O ATOM 613 ND2 ASN A 41 8.566 6.240 -1.288 1.00 0.00 N ATOM 0 H ASN A 41 5.885 8.430 -4.427 1.00 0.00 H new ATOM 0 HA ASN A 41 7.393 6.080 -4.862 1.00 0.00 H new ATOM 0 HB2 ASN A 41 8.307 8.157 -3.923 1.00 0.00 H new ATOM 0 HB3 ASN A 41 7.242 8.036 -2.537 1.00 0.00 H new ATOM 0 HD21 ASN A 41 9.226 5.661 -0.768 1.00 0.00 H new ATOM 0 HD22 ASN A 41 7.704 6.556 -0.844 1.00 0.00 H new ATOM 620 N VAL A 42 5.321 5.971 -2.262 1.00 0.00 N ATOM 621 CA VAL A 42 4.614 5.088 -1.340 1.00 0.00 C ATOM 622 C VAL A 42 3.752 4.078 -2.107 1.00 0.00 C ATOM 623 O VAL A 42 3.777 2.887 -1.802 1.00 0.00 O ATOM 624 CB VAL A 42 3.794 5.943 -0.358 1.00 0.00 C ATOM 625 CG1 VAL A 42 2.819 5.100 0.468 1.00 0.00 C ATOM 626 CG2 VAL A 42 4.730 6.675 0.615 1.00 0.00 C ATOM 0 H VAL A 42 5.127 6.960 -2.104 1.00 0.00 H new ATOM 0 HA VAL A 42 5.328 4.501 -0.763 1.00 0.00 H new ATOM 0 HB VAL A 42 3.225 6.652 -0.960 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.263 5.747 1.146 1.00 0.00 H new ATOM 0 HG12 VAL A 42 2.124 4.590 -0.199 1.00 0.00 H new ATOM 0 HG13 VAL A 42 3.375 4.362 1.045 1.00 0.00 H new ATOM 0 HG21 VAL A 42 4.139 7.277 1.305 1.00 0.00 H new ATOM 0 HG22 VAL A 42 5.313 5.946 1.177 1.00 0.00 H new ATOM 0 HG23 VAL A 42 5.404 7.323 0.054 1.00 0.00 H new ATOM 636 N LEU A 43 3.007 4.558 -3.109 1.00 0.00 N ATOM 637 CA LEU A 43 2.198 3.748 -4.009 1.00 0.00 C ATOM 638 C LEU A 43 3.069 2.690 -4.690 1.00 0.00 C ATOM 639 O LEU A 43 2.724 1.511 -4.679 1.00 0.00 O ATOM 640 CB LEU A 43 1.509 4.691 -5.011 1.00 0.00 C ATOM 641 CG LEU A 43 0.556 4.069 -6.047 1.00 0.00 C ATOM 642 CD1 LEU A 43 1.281 3.422 -7.234 1.00 0.00 C ATOM 643 CD2 LEU A 43 -0.438 3.091 -5.417 1.00 0.00 C ATOM 0 H LEU A 43 2.953 5.555 -3.318 1.00 0.00 H new ATOM 0 HA LEU A 43 1.427 3.204 -3.464 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.947 5.431 -4.441 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.287 5.229 -5.553 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.011 4.910 -6.446 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.548 3.004 -7.924 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.877 4.174 -7.750 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.933 2.627 -6.872 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.086 2.681 -6.192 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.106 2.280 -4.933 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.043 3.614 -4.677 1.00 0.00 H new ATOM 655 N GLY A 44 4.199 3.113 -5.269 1.00 0.00 N ATOM 656 CA GLY A 44 5.150 2.243 -5.943 1.00 0.00 C ATOM 657 C GLY A 44 5.633 1.120 -5.027 1.00 0.00 C ATOM 658 O GLY A 44 5.513 -0.051 -5.377 1.00 0.00 O ATOM 0 H GLY A 44 4.477 4.094 -5.278 1.00 0.00 H new ATOM 0 HA2 GLY A 44 4.686 1.814 -6.831 1.00 0.00 H new ATOM 0 HA3 GLY A 44 6.004 2.830 -6.282 1.00 0.00 H new ATOM 662 N GLU A 45 6.167 1.482 -3.853 1.00 0.00 N ATOM 663 CA GLU A 45 6.644 0.548 -2.840 1.00 0.00 C ATOM 664 C GLU A 45 5.564 -0.480 -2.499 1.00 0.00 C ATOM 665 O GLU A 45 5.828 -1.680 -2.513 1.00 0.00 O ATOM 666 CB GLU A 45 7.049 1.318 -1.577 1.00 0.00 C ATOM 667 CG GLU A 45 8.315 2.160 -1.790 1.00 0.00 C ATOM 668 CD GLU A 45 8.630 3.062 -0.596 1.00 0.00 C ATOM 669 OE1 GLU A 45 7.745 3.221 0.272 1.00 0.00 O ATOM 670 OE2 GLU A 45 9.764 3.590 -0.576 1.00 0.00 O ATOM 0 H GLU A 45 6.279 2.458 -3.580 1.00 0.00 H new ATOM 0 HA GLU A 45 7.510 0.018 -3.236 1.00 0.00 H new ATOM 0 HB2 GLU A 45 6.229 1.969 -1.272 1.00 0.00 H new ATOM 0 HB3 GLU A 45 7.217 0.613 -0.762 1.00 0.00 H new ATOM 0 HG2 GLU A 45 9.161 1.497 -1.973 1.00 0.00 H new ATOM 0 HG3 GLU A 45 8.192 2.774 -2.682 1.00 0.00 H new ATOM 677 N ALA A 46 4.351 -0.001 -2.201 1.00 0.00 N ATOM 678 CA ALA A 46 3.216 -0.841 -1.856 1.00 0.00 C ATOM 679 C ALA A 46 2.883 -1.829 -2.974 1.00 0.00 C ATOM 680 O ALA A 46 2.675 -3.010 -2.705 1.00 0.00 O ATOM 681 CB ALA A 46 2.015 0.047 -1.519 1.00 0.00 C ATOM 0 H ALA A 46 4.135 0.996 -2.195 1.00 0.00 H new ATOM 0 HA ALA A 46 3.475 -1.438 -0.982 1.00 0.00 H new ATOM 0 HB1 ALA A 46 1.161 -0.579 -1.260 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.263 0.690 -0.675 1.00 0.00 H new ATOM 0 HB3 ALA A 46 1.764 0.663 -2.383 1.00 0.00 H new ATOM 687 N GLN A 47 2.837 -1.353 -4.223 1.00 0.00 N ATOM 688 CA GLN A 47 2.488 -2.168 -5.377 1.00 0.00 C ATOM 689 C GLN A 47 3.546 -3.242 -5.635 1.00 0.00 C ATOM 690 O GLN A 47 3.197 -4.387 -5.913 1.00 0.00 O ATOM 691 CB GLN A 47 2.271 -1.267 -6.600 1.00 0.00 C ATOM 692 CG GLN A 47 1.836 -2.041 -7.853 1.00 0.00 C ATOM 693 CD GLN A 47 0.522 -2.795 -7.653 1.00 0.00 C ATOM 694 OE1 GLN A 47 -0.551 -2.251 -7.901 1.00 0.00 O ATOM 695 NE2 GLN A 47 0.598 -4.052 -7.208 1.00 0.00 N ATOM 0 H GLN A 47 3.044 -0.382 -4.456 1.00 0.00 H new ATOM 0 HA GLN A 47 1.555 -2.693 -5.173 1.00 0.00 H new ATOM 0 HB2 GLN A 47 1.515 -0.519 -6.362 1.00 0.00 H new ATOM 0 HB3 GLN A 47 3.194 -0.729 -6.815 1.00 0.00 H new ATOM 0 HG2 GLN A 47 1.728 -1.346 -8.686 1.00 0.00 H new ATOM 0 HG3 GLN A 47 2.618 -2.749 -8.128 1.00 0.00 H new ATOM 0 HE21 GLN A 47 1.508 -4.470 -7.013 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -0.254 -4.594 -7.063 1.00 0.00 H new ATOM 704 N LYS A 48 4.831 -2.883 -5.538 1.00 0.00 N ATOM 705 CA LYS A 48 5.924 -3.835 -5.660 1.00 0.00 C ATOM 706 C LYS A 48 5.861 -4.878 -4.543 1.00 0.00 C ATOM 707 O LYS A 48 6.104 -6.055 -4.801 1.00 0.00 O ATOM 708 CB LYS A 48 7.278 -3.112 -5.661 1.00 0.00 C ATOM 709 CG LYS A 48 7.537 -2.291 -6.935 1.00 0.00 C ATOM 710 CD LYS A 48 7.528 -3.093 -8.248 1.00 0.00 C ATOM 711 CE LYS A 48 8.427 -4.336 -8.238 1.00 0.00 C ATOM 712 NZ LYS A 48 9.827 -4.004 -7.926 1.00 0.00 N ATOM 0 H LYS A 48 5.135 -1.923 -5.373 1.00 0.00 H new ATOM 0 HA LYS A 48 5.819 -4.354 -6.613 1.00 0.00 H new ATOM 0 HB2 LYS A 48 7.328 -2.450 -4.796 1.00 0.00 H new ATOM 0 HB3 LYS A 48 8.074 -3.848 -5.545 1.00 0.00 H new ATOM 0 HG2 LYS A 48 6.782 -1.507 -7.002 1.00 0.00 H new ATOM 0 HG3 LYS A 48 8.503 -1.796 -6.838 1.00 0.00 H new ATOM 0 HD2 LYS A 48 6.505 -3.401 -8.464 1.00 0.00 H new ATOM 0 HD3 LYS A 48 7.842 -2.439 -9.061 1.00 0.00 H new ATOM 0 HE2 LYS A 48 8.051 -5.049 -7.504 1.00 0.00 H new ATOM 0 HE3 LYS A 48 8.379 -4.826 -9.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 10.408 -4.865 -7.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 10.179 -3.305 -8.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 9.884 -3.607 -6.966 1.00 0.00 H new ATOM 726 N LEU A 49 5.529 -4.465 -3.312 1.00 0.00 N ATOM 727 CA LEU A 49 5.408 -5.389 -2.195 1.00 0.00 C ATOM 728 C LEU A 49 4.260 -6.377 -2.440 1.00 0.00 C ATOM 729 O LEU A 49 4.442 -7.579 -2.263 1.00 0.00 O ATOM 730 CB LEU A 49 5.258 -4.631 -0.867 1.00 0.00 C ATOM 731 CG LEU A 49 5.533 -5.559 0.330 1.00 0.00 C ATOM 732 CD1 LEU A 49 7.034 -5.796 0.536 1.00 0.00 C ATOM 733 CD2 LEU A 49 4.977 -4.974 1.630 1.00 0.00 C ATOM 0 H LEU A 49 5.340 -3.492 -3.072 1.00 0.00 H new ATOM 0 HA LEU A 49 6.326 -5.972 -2.119 1.00 0.00 H new ATOM 0 HB2 LEU A 49 5.949 -3.788 -0.845 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.251 -4.220 -0.790 1.00 0.00 H new ATOM 0 HG LEU A 49 5.038 -6.501 0.096 1.00 0.00 H new ATOM 0 HD11 LEU A 49 7.184 -6.456 1.390 1.00 0.00 H new ATOM 0 HD12 LEU A 49 7.455 -6.257 -0.357 1.00 0.00 H new ATOM 0 HD13 LEU A 49 7.531 -4.844 0.721 1.00 0.00 H new ATOM 0 HD21 LEU A 49 5.188 -5.654 2.455 1.00 0.00 H new ATOM 0 HD22 LEU A 49 5.447 -4.010 1.825 1.00 0.00 H new ATOM 0 HD23 LEU A 49 3.899 -4.840 1.537 1.00 0.00 H new ATOM 745 N ASN A 50 3.091 -5.877 -2.863 1.00 0.00 N ATOM 746 CA ASN A 50 1.936 -6.691 -3.231 1.00 0.00 C ATOM 747 C ASN A 50 2.322 -7.713 -4.303 1.00 0.00 C ATOM 748 O ASN A 50 2.059 -8.904 -4.151 1.00 0.00 O ATOM 749 CB ASN A 50 0.799 -5.771 -3.708 1.00 0.00 C ATOM 750 CG ASN A 50 -0.423 -6.541 -4.211 1.00 0.00 C ATOM 751 OD1 ASN A 50 -1.354 -6.811 -3.456 1.00 0.00 O ATOM 752 ND2 ASN A 50 -0.430 -6.893 -5.499 1.00 0.00 N ATOM 0 H ASN A 50 2.924 -4.875 -2.959 1.00 0.00 H new ATOM 0 HA ASN A 50 1.588 -7.250 -2.362 1.00 0.00 H new ATOM 0 HB2 ASN A 50 0.498 -5.119 -2.888 1.00 0.00 H new ATOM 0 HB3 ASN A 50 1.170 -5.128 -4.506 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -1.225 -7.402 -5.884 1.00 0.00 H new ATOM 0 HD22 ASN A 50 0.360 -6.653 -6.098 1.00 0.00 H new ATOM 759 N ASP A 51 2.947 -7.235 -5.385 1.00 0.00 N ATOM 760 CA ASP A 51 3.366 -8.045 -6.517 1.00 0.00 C ATOM 761 C ASP A 51 4.318 -9.164 -6.084 1.00 0.00 C ATOM 762 O ASP A 51 4.094 -10.325 -6.418 1.00 0.00 O ATOM 763 CB ASP A 51 4.013 -7.134 -7.567 1.00 0.00 C ATOM 764 CG ASP A 51 4.493 -7.921 -8.781 1.00 0.00 C ATOM 765 OD1 ASP A 51 3.629 -8.255 -9.621 1.00 0.00 O ATOM 766 OD2 ASP A 51 5.715 -8.177 -8.847 1.00 0.00 O ATOM 0 H ASP A 51 3.178 -6.247 -5.493 1.00 0.00 H new ATOM 0 HA ASP A 51 2.493 -8.531 -6.952 1.00 0.00 H new ATOM 0 HB2 ASP A 51 3.295 -6.378 -7.885 1.00 0.00 H new ATOM 0 HB3 ASP A 51 4.855 -6.606 -7.120 1.00 0.00 H new ATOM 771 N SER A 52 5.379 -8.813 -5.349 1.00 0.00 N ATOM 772 CA SER A 52 6.400 -9.755 -4.912 1.00 0.00 C ATOM 773 C SER A 52 5.835 -10.788 -3.934 1.00 0.00 C ATOM 774 O SER A 52 6.094 -11.980 -4.094 1.00 0.00 O ATOM 775 CB SER A 52 7.597 -9.003 -4.318 1.00 0.00 C ATOM 776 OG SER A 52 7.202 -8.195 -3.231 1.00 0.00 O ATOM 0 H SER A 52 5.549 -7.856 -5.041 1.00 0.00 H new ATOM 0 HA SER A 52 6.747 -10.310 -5.783 1.00 0.00 H new ATOM 0 HB2 SER A 52 8.352 -9.717 -3.989 1.00 0.00 H new ATOM 0 HB3 SER A 52 8.059 -8.383 -5.087 1.00 0.00 H new ATOM 0 HG SER A 52 6.785 -7.374 -3.568 1.00 0.00 H new ATOM 782 N GLN A 53 5.056 -10.348 -2.937 1.00 0.00 N ATOM 783 CA GLN A 53 4.506 -11.220 -1.906 1.00 0.00 C ATOM 784 C GLN A 53 3.149 -11.775 -2.350 1.00 0.00 C ATOM 785 O GLN A 53 2.184 -11.747 -1.587 1.00 0.00 O ATOM 786 CB GLN A 53 4.388 -10.457 -0.576 1.00 0.00 C ATOM 787 CG GLN A 53 5.736 -9.894 -0.102 1.00 0.00 C ATOM 788 CD GLN A 53 5.680 -9.378 1.337 1.00 0.00 C ATOM 789 OE1 GLN A 53 6.567 -9.671 2.134 1.00 0.00 O ATOM 790 NE2 GLN A 53 4.645 -8.610 1.684 1.00 0.00 N ATOM 0 H GLN A 53 4.791 -9.369 -2.828 1.00 0.00 H new ATOM 0 HA GLN A 53 5.180 -12.063 -1.754 1.00 0.00 H new ATOM 0 HB2 GLN A 53 3.676 -9.639 -0.691 1.00 0.00 H new ATOM 0 HB3 GLN A 53 3.987 -11.123 0.188 1.00 0.00 H new ATOM 0 HG2 GLN A 53 6.497 -10.670 -0.177 1.00 0.00 H new ATOM 0 HG3 GLN A 53 6.041 -9.083 -0.764 1.00 0.00 H new ATOM 0 HE21 GLN A 53 3.924 -8.385 0.998 1.00 0.00 H new ATOM 0 HE22 GLN A 53 4.575 -8.248 2.635 1.00 0.00 H new ATOM 799 N ALA A 54 3.078 -12.295 -3.582 1.00 0.00 N ATOM 800 CA ALA A 54 1.870 -12.898 -4.125 1.00 0.00 C ATOM 801 C ALA A 54 1.593 -14.236 -3.428 1.00 0.00 C ATOM 802 O ALA A 54 2.538 -14.952 -3.099 1.00 0.00 O ATOM 803 CB ALA A 54 2.029 -13.093 -5.635 1.00 0.00 C ATOM 0 H ALA A 54 3.867 -12.306 -4.229 1.00 0.00 H new ATOM 0 HA ALA A 54 1.021 -12.238 -3.946 1.00 0.00 H new ATOM 0 HB1 ALA A 54 1.124 -13.545 -6.041 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.197 -12.127 -6.111 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.879 -13.746 -5.830 1.00 0.00 H new ATOM 809 N PRO A 55 0.317 -14.593 -3.197 1.00 0.00 N ATOM 810 CA PRO A 55 -0.055 -15.841 -2.547 1.00 0.00 C ATOM 811 C PRO A 55 0.281 -17.049 -3.427 1.00 0.00 C ATOM 812 O PRO A 55 0.757 -18.063 -2.922 1.00 0.00 O ATOM 813 CB PRO A 55 -1.558 -15.728 -2.274 1.00 0.00 C ATOM 814 CG PRO A 55 -2.051 -14.769 -3.356 1.00 0.00 C ATOM 815 CD PRO A 55 -0.867 -13.819 -3.535 1.00 0.00 C ATOM 0 HA PRO A 55 0.500 -15.997 -1.622 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -2.052 -16.697 -2.343 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -1.756 -15.340 -1.275 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -2.292 -15.293 -4.281 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -2.951 -14.239 -3.046 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -0.813 -13.450 -4.559 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -0.963 -12.948 -2.887 1.00 0.00 H new ATOM 823 N LYS A 56 0.037 -16.943 -4.738 1.00 0.00 N ATOM 824 CA LYS A 56 0.309 -18.023 -5.670 1.00 0.00 C ATOM 825 C LYS A 56 -0.992 -18.759 -5.993 1.00 0.00 C ATOM 826 O LYS A 56 -1.623 -19.258 -5.035 1.00 0.00 O ATOM 827 CB LYS A 56 1.371 -18.956 -5.074 1.00 0.00 C ATOM 828 CG LYS A 56 1.795 -20.043 -6.070 1.00 0.00 C ATOM 829 CD LYS A 56 2.901 -20.915 -5.462 1.00 0.00 C ATOM 830 CE LYS A 56 3.427 -21.960 -6.454 1.00 0.00 C ATOM 831 NZ LYS A 56 2.402 -22.937 -6.775 1.00 0.00 N ATOM 832 OXT LYS A 56 -1.335 -18.809 -7.194 1.00 0.00 O ATOM 0 H LYS A 56 -0.353 -16.107 -5.173 1.00 0.00 H new ATOM 0 HA LYS A 56 0.704 -17.628 -6.606 1.00 0.00 H new ATOM 0 HB2 LYS A 56 2.243 -18.373 -4.779 1.00 0.00 H new ATOM 0 HB3 LYS A 56 0.979 -19.423 -4.170 1.00 0.00 H new ATOM 0 HG2 LYS A 56 0.937 -20.662 -6.332 1.00 0.00 H new ATOM 0 HG3 LYS A 56 2.150 -19.583 -6.992 1.00 0.00 H new ATOM 0 HD2 LYS A 56 3.724 -20.279 -5.136 1.00 0.00 H new ATOM 0 HD3 LYS A 56 2.517 -21.419 -4.575 1.00 0.00 H new ATOM 0 HE2 LYS A 56 3.761 -21.465 -7.366 1.00 0.00 H new ATOM 0 HE3 LYS A 56 4.295 -22.465 -6.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 2.807 -23.679 -7.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 2.042 -23.364 -5.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 1.621 -22.469 -7.278 1.00 0.00 H new TER 845 LYS A 56