USER MOD reduce.3.24.130724 H: found=0, std=0, add=410, rem=0, adj=9 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 -73:sc= 0.959 USER MOD Set 1.2: A 38 GLN : amide:sc= -0.0975 X(o=0.86,f=0.86) USER MOD Set 2.1: A 21 ASN : amide:sc= 1.2 K(o=2,f=-0.18) USER MOD Set 2.2: A 24 GLN : amide:sc= 0.559 K(o=2,f=-0.3!) USER MOD Set 2.3: A 53 GLN : amide:sc= 0.221 X(o=2,f=2) USER MOD Single : A 1 ALA N :NH3+ -153:sc= 0.72 (180deg=0.253) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 3 HIS : no HD1:sc= -0.0326 X(o=-0.033,f=-0.043) USER MOD Single : A 7 GLN : amide:sc= -0.686 K(o=-0.69,f=-2!) USER MOD Single : A 8 GLN : amide:sc= -0.0377 X(o=-0.038,f=0) USER MOD Single : A 9 ASN : amide:sc=-0.00283 X(o=-0.0028,f=-0.5) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= 0.318 X(o=0.32,f=0) USER MOD Single : A 16 ASN : amide:sc= 0.913 K(o=0.91,f=0) USER MOD Single : A 17 MET CE :methyl -171:sc= -0.0209 (180deg=-0.0644) USER MOD Single : A 19 ASN : amide:sc= 0.411 K(o=0.41,f=-0.12) USER MOD Single : A 26 ASN : amide:sc= 0.516 K(o=0.52,f=-0.007) USER MOD Single : A 30 GLN : amide:sc= -0.217 X(o=-0.22,f=-0.21) USER MOD Single : A 31 SER OG : rot 75:sc= 0.873 USER MOD Single : A 33 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0723) USER MOD Single : A 39 SER OG : rot 55:sc= 0.675 USER MOD Single : A 41 ASN : amide:sc= -0.0177 X(o=-0.018,f=0) USER MOD Single : A 47 GLN : amide:sc= -0.463 X(o=-0.46,f=-0.63) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= 0.228 K(o=0.23,f=-2.3!) USER MOD Single : A 52 SER OG : rot -81:sc= 0.249 USER MOD Single : A 56 LYS NZ :NH3+ 163:sc=-0.00376 (180deg=-0.244) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -1.419 15.369 -3.700 1.00 0.00 N ATOM 2 CA ALA A 1 -1.621 15.706 -2.279 1.00 0.00 C ATOM 3 C ALA A 1 -2.994 16.340 -2.035 1.00 0.00 C ATOM 4 O ALA A 1 -3.758 16.553 -2.975 1.00 0.00 O ATOM 5 CB ALA A 1 -0.491 16.618 -1.791 1.00 0.00 C ATOM 0 H1 ALA A 1 -0.750 14.576 -3.777 1.00 0.00 H new ATOM 0 H2 ALA A 1 -2.328 15.097 -4.125 1.00 0.00 H new ATOM 0 H3 ALA A 1 -1.036 16.195 -4.202 1.00 0.00 H new ATOM 0 HA ALA A 1 -1.595 14.781 -1.703 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -0.648 16.862 -0.740 1.00 0.00 H new ATOM 0 HB2 ALA A 1 0.465 16.106 -1.906 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -0.484 17.536 -2.379 1.00 0.00 H new ATOM 13 N GLN A 2 -3.302 16.635 -0.764 1.00 0.00 N ATOM 14 CA GLN A 2 -4.539 17.278 -0.323 1.00 0.00 C ATOM 15 C GLN A 2 -5.780 16.522 -0.818 1.00 0.00 C ATOM 16 O GLN A 2 -6.775 17.133 -1.203 1.00 0.00 O ATOM 17 CB GLN A 2 -4.553 18.758 -0.740 1.00 0.00 C ATOM 18 CG GLN A 2 -3.342 19.521 -0.188 1.00 0.00 C ATOM 19 CD GLN A 2 -3.389 20.997 -0.574 1.00 0.00 C ATOM 20 OE1 GLN A 2 -2.603 21.451 -1.402 1.00 0.00 O ATOM 21 NE2 GLN A 2 -4.310 21.754 0.026 1.00 0.00 N ATOM 0 H GLN A 2 -2.671 16.423 0.009 1.00 0.00 H new ATOM 0 HA GLN A 2 -4.574 17.241 0.766 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -4.561 18.828 -1.828 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -5.470 19.227 -0.384 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -3.316 19.428 0.898 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -2.424 19.073 -0.568 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -4.945 21.340 0.708 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -4.379 22.747 -0.198 1.00 0.00 H new ATOM 30 N HIS A 3 -5.699 15.185 -0.805 1.00 0.00 N ATOM 31 CA HIS A 3 -6.706 14.260 -1.307 1.00 0.00 C ATOM 32 C HIS A 3 -7.253 14.659 -2.684 1.00 0.00 C ATOM 33 O HIS A 3 -8.462 14.630 -2.908 1.00 0.00 O ATOM 34 CB HIS A 3 -7.800 14.028 -0.256 1.00 0.00 C ATOM 35 CG HIS A 3 -8.611 12.786 -0.532 1.00 0.00 C ATOM 36 ND1 HIS A 3 -8.098 11.510 -0.348 1.00 0.00 N ATOM 37 CD2 HIS A 3 -9.883 12.597 -1.019 1.00 0.00 C ATOM 38 CE1 HIS A 3 -9.051 10.639 -0.719 1.00 0.00 C ATOM 39 NE2 HIS A 3 -10.165 11.240 -1.144 1.00 0.00 N ATOM 0 H HIS A 3 -4.886 14.702 -0.423 1.00 0.00 H new ATOM 0 HA HIS A 3 -6.218 13.300 -1.477 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -7.341 13.947 0.730 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -8.463 14.893 -0.229 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -10.569 13.392 -1.270 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -8.929 9.567 -0.678 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -11.024 10.805 -1.482 1.00 0.00 H new ATOM 47 N ASP A 4 -6.360 15.012 -3.619 1.00 0.00 N ATOM 48 CA ASP A 4 -6.728 15.197 -5.017 1.00 0.00 C ATOM 49 C ASP A 4 -6.981 13.828 -5.660 1.00 0.00 C ATOM 50 O ASP A 4 -6.891 12.803 -4.990 1.00 0.00 O ATOM 51 CB ASP A 4 -5.632 15.976 -5.758 1.00 0.00 C ATOM 52 CG ASP A 4 -4.441 15.096 -6.135 1.00 0.00 C ATOM 53 OD1 ASP A 4 -3.825 14.527 -5.209 1.00 0.00 O ATOM 54 OD2 ASP A 4 -4.178 14.994 -7.353 1.00 0.00 O ATOM 0 H ASP A 4 -5.372 15.175 -3.423 1.00 0.00 H new ATOM 0 HA ASP A 4 -7.645 15.783 -5.083 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -6.053 16.419 -6.661 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -5.288 16.798 -5.131 1.00 0.00 H new ATOM 59 N GLU A 5 -7.277 13.800 -6.963 1.00 0.00 N ATOM 60 CA GLU A 5 -7.510 12.557 -7.686 1.00 0.00 C ATOM 61 C GLU A 5 -6.306 11.605 -7.621 1.00 0.00 C ATOM 62 O GLU A 5 -6.495 10.398 -7.498 1.00 0.00 O ATOM 63 CB GLU A 5 -7.955 12.853 -9.124 1.00 0.00 C ATOM 64 CG GLU A 5 -6.896 13.587 -9.960 1.00 0.00 C ATOM 65 CD GLU A 5 -7.441 13.941 -11.340 1.00 0.00 C ATOM 66 OE1 GLU A 5 -7.298 13.090 -12.245 1.00 0.00 O ATOM 67 OE2 GLU A 5 -7.993 15.056 -11.465 1.00 0.00 O ATOM 0 H GLU A 5 -7.360 14.637 -7.540 1.00 0.00 H new ATOM 0 HA GLU A 5 -8.323 12.027 -7.190 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -8.208 11.914 -9.617 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -8.864 13.454 -9.097 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -6.585 14.495 -9.444 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -6.010 12.960 -10.064 1.00 0.00 H new ATOM 74 N ALA A 6 -5.076 12.135 -7.688 1.00 0.00 N ATOM 75 CA ALA A 6 -3.860 11.332 -7.628 1.00 0.00 C ATOM 76 C ALA A 6 -3.678 10.712 -6.241 1.00 0.00 C ATOM 77 O ALA A 6 -3.431 9.513 -6.129 1.00 0.00 O ATOM 78 CB ALA A 6 -2.647 12.185 -8.009 1.00 0.00 C ATOM 0 H ALA A 6 -4.903 13.135 -7.786 1.00 0.00 H new ATOM 0 HA ALA A 6 -3.950 10.516 -8.344 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -1.744 11.576 -7.961 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -2.774 12.566 -9.022 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -2.558 13.021 -7.315 1.00 0.00 H new ATOM 84 N GLN A 7 -3.799 11.527 -5.188 1.00 0.00 N ATOM 85 CA GLN A 7 -3.673 11.093 -3.803 1.00 0.00 C ATOM 86 C GLN A 7 -4.756 10.065 -3.454 1.00 0.00 C ATOM 87 O GLN A 7 -4.466 9.043 -2.834 1.00 0.00 O ATOM 88 CB GLN A 7 -3.736 12.335 -2.905 1.00 0.00 C ATOM 89 CG GLN A 7 -3.713 12.037 -1.403 1.00 0.00 C ATOM 90 CD GLN A 7 -2.422 11.356 -0.964 1.00 0.00 C ATOM 91 OE1 GLN A 7 -1.493 12.023 -0.516 1.00 0.00 O ATOM 92 NE2 GLN A 7 -2.367 10.029 -1.082 1.00 0.00 N ATOM 0 H GLN A 7 -3.991 12.524 -5.282 1.00 0.00 H new ATOM 0 HA GLN A 7 -2.718 10.592 -3.645 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -2.895 12.985 -3.146 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -4.645 12.890 -3.138 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -3.836 12.968 -0.849 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -4.561 11.401 -1.149 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -3.164 9.517 -1.460 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -1.528 9.526 -0.794 1.00 0.00 H new ATOM 101 N GLN A 8 -6.000 10.338 -3.863 1.00 0.00 N ATOM 102 CA GLN A 8 -7.132 9.434 -3.733 1.00 0.00 C ATOM 103 C GLN A 8 -6.800 8.094 -4.383 1.00 0.00 C ATOM 104 O GLN A 8 -6.943 7.058 -3.743 1.00 0.00 O ATOM 105 CB GLN A 8 -8.356 10.077 -4.393 1.00 0.00 C ATOM 106 CG GLN A 8 -9.646 9.259 -4.266 1.00 0.00 C ATOM 107 CD GLN A 8 -10.743 9.854 -5.148 1.00 0.00 C ATOM 108 OE1 GLN A 8 -11.347 9.146 -5.950 1.00 0.00 O ATOM 109 NE2 GLN A 8 -10.998 11.158 -5.017 1.00 0.00 N ATOM 0 H GLN A 8 -6.247 11.223 -4.306 1.00 0.00 H new ATOM 0 HA GLN A 8 -7.351 9.253 -2.681 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -8.518 11.060 -3.950 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -8.143 10.235 -5.450 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -9.459 8.225 -4.556 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -9.974 9.244 -3.227 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -10.476 11.714 -4.340 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -11.715 11.598 -5.594 1.00 0.00 H new ATOM 118 N ASN A 9 -6.356 8.122 -5.646 1.00 0.00 N ATOM 119 CA ASN A 9 -5.994 6.930 -6.398 1.00 0.00 C ATOM 120 C ASN A 9 -4.874 6.154 -5.700 1.00 0.00 C ATOM 121 O ASN A 9 -4.919 4.928 -5.662 1.00 0.00 O ATOM 122 CB ASN A 9 -5.606 7.317 -7.832 1.00 0.00 C ATOM 123 CG ASN A 9 -5.310 6.101 -8.708 1.00 0.00 C ATOM 124 OD1 ASN A 9 -5.931 5.051 -8.560 1.00 0.00 O ATOM 125 ND2 ASN A 9 -4.355 6.238 -9.629 1.00 0.00 N ATOM 0 H ASN A 9 -6.239 8.987 -6.174 1.00 0.00 H new ATOM 0 HA ASN A 9 -6.858 6.267 -6.443 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -6.414 7.895 -8.280 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -4.729 7.963 -7.805 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -4.119 5.456 -10.239 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -3.861 7.125 -9.723 1.00 0.00 H new ATOM 132 N ALA A 10 -3.876 6.850 -5.142 1.00 0.00 N ATOM 133 CA ALA A 10 -2.784 6.216 -4.414 1.00 0.00 C ATOM 134 C ALA A 10 -3.321 5.433 -3.214 1.00 0.00 C ATOM 135 O ALA A 10 -3.090 4.229 -3.126 1.00 0.00 O ATOM 136 CB ALA A 10 -1.738 7.256 -4.004 1.00 0.00 C ATOM 0 H ALA A 10 -3.808 7.867 -5.186 1.00 0.00 H new ATOM 0 HA ALA A 10 -2.289 5.500 -5.070 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -0.930 6.765 -3.462 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -1.336 7.739 -4.895 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -2.202 8.006 -3.363 1.00 0.00 H new ATOM 142 N PHE A 11 -4.054 6.099 -2.309 1.00 0.00 N ATOM 143 CA PHE A 11 -4.678 5.448 -1.159 1.00 0.00 C ATOM 144 C PHE A 11 -5.553 4.269 -1.598 1.00 0.00 C ATOM 145 O PHE A 11 -5.462 3.185 -1.027 1.00 0.00 O ATOM 146 CB PHE A 11 -5.531 6.448 -0.364 1.00 0.00 C ATOM 147 CG PHE A 11 -4.786 7.537 0.389 1.00 0.00 C ATOM 148 CD1 PHE A 11 -3.803 7.190 1.337 1.00 0.00 C ATOM 149 CD2 PHE A 11 -5.248 8.866 0.330 1.00 0.00 C ATOM 150 CE1 PHE A 11 -3.254 8.171 2.181 1.00 0.00 C ATOM 151 CE2 PHE A 11 -4.712 9.843 1.188 1.00 0.00 C ATOM 152 CZ PHE A 11 -3.698 9.500 2.099 1.00 0.00 C ATOM 0 H PHE A 11 -4.228 7.103 -2.358 1.00 0.00 H new ATOM 0 HA PHE A 11 -3.877 5.073 -0.522 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -6.225 6.927 -1.055 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -6.130 5.888 0.354 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -3.470 6.166 1.416 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -6.018 9.136 -0.378 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -2.489 7.902 2.894 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -5.080 10.858 1.147 1.00 0.00 H new ATOM 0 HZ PHE A 11 -3.262 10.257 2.734 1.00 0.00 H new ATOM 162 N TYR A 12 -6.397 4.492 -2.610 1.00 0.00 N ATOM 163 CA TYR A 12 -7.329 3.511 -3.143 1.00 0.00 C ATOM 164 C TYR A 12 -6.600 2.247 -3.603 1.00 0.00 C ATOM 165 O TYR A 12 -7.010 1.143 -3.259 1.00 0.00 O ATOM 166 CB TYR A 12 -8.138 4.143 -4.280 1.00 0.00 C ATOM 167 CG TYR A 12 -9.169 3.211 -4.876 1.00 0.00 C ATOM 168 CD1 TYR A 12 -10.422 3.065 -4.255 1.00 0.00 C ATOM 169 CD2 TYR A 12 -8.837 2.414 -5.986 1.00 0.00 C ATOM 170 CE1 TYR A 12 -11.322 2.087 -4.712 1.00 0.00 C ATOM 171 CE2 TYR A 12 -9.732 1.428 -6.435 1.00 0.00 C ATOM 172 CZ TYR A 12 -10.970 1.256 -5.791 1.00 0.00 C ATOM 173 OH TYR A 12 -11.832 0.286 -6.209 1.00 0.00 O ATOM 0 H TYR A 12 -6.447 5.390 -3.091 1.00 0.00 H new ATOM 0 HA TYR A 12 -8.016 3.207 -2.354 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -8.640 5.036 -3.906 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -7.455 4.467 -5.065 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -10.693 3.704 -3.427 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -7.895 2.560 -6.493 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -12.284 1.973 -4.235 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -9.469 0.802 -7.275 1.00 0.00 H new ATOM 0 HH TYR A 12 -11.438 -0.198 -6.964 1.00 0.00 H new ATOM 183 N GLN A 13 -5.521 2.403 -4.375 1.00 0.00 N ATOM 184 CA GLN A 13 -4.714 1.286 -4.842 1.00 0.00 C ATOM 185 C GLN A 13 -4.101 0.534 -3.660 1.00 0.00 C ATOM 186 O GLN A 13 -4.209 -0.688 -3.609 1.00 0.00 O ATOM 187 CB GLN A 13 -3.645 1.789 -5.816 1.00 0.00 C ATOM 188 CG GLN A 13 -4.270 2.133 -7.174 1.00 0.00 C ATOM 189 CD GLN A 13 -3.284 2.874 -8.071 1.00 0.00 C ATOM 190 OE1 GLN A 13 -2.822 2.341 -9.077 1.00 0.00 O ATOM 191 NE2 GLN A 13 -2.961 4.115 -7.706 1.00 0.00 N ATOM 0 H GLN A 13 -5.186 3.313 -4.692 1.00 0.00 H new ATOM 0 HA GLN A 13 -5.350 0.580 -5.377 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -3.154 2.670 -5.402 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -2.876 1.027 -5.946 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -4.596 1.218 -7.668 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -5.158 2.747 -7.022 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -3.367 4.521 -6.863 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -2.308 4.659 -8.270 1.00 0.00 H new ATOM 200 N VAL A 14 -3.481 1.246 -2.709 1.00 0.00 N ATOM 201 CA VAL A 14 -2.890 0.640 -1.517 1.00 0.00 C ATOM 202 C VAL A 14 -3.922 -0.202 -0.752 1.00 0.00 C ATOM 203 O VAL A 14 -3.597 -1.299 -0.303 1.00 0.00 O ATOM 204 CB VAL A 14 -2.226 1.712 -0.633 1.00 0.00 C ATOM 205 CG1 VAL A 14 -1.702 1.105 0.675 1.00 0.00 C ATOM 206 CG2 VAL A 14 -1.029 2.350 -1.352 1.00 0.00 C ATOM 0 H VAL A 14 -3.377 2.260 -2.749 1.00 0.00 H new ATOM 0 HA VAL A 14 -2.103 -0.046 -1.830 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.990 2.461 -0.423 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -1.239 1.886 1.278 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -2.530 0.662 1.228 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.964 0.335 0.449 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -0.577 3.104 -0.707 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.292 1.581 -1.584 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -1.367 2.819 -2.276 1.00 0.00 H new ATOM 216 N LEU A 15 -5.159 0.294 -0.615 1.00 0.00 N ATOM 217 CA LEU A 15 -6.256 -0.460 -0.017 1.00 0.00 C ATOM 218 C LEU A 15 -6.561 -1.716 -0.842 1.00 0.00 C ATOM 219 O LEU A 15 -6.583 -2.819 -0.299 1.00 0.00 O ATOM 220 CB LEU A 15 -7.509 0.424 0.108 1.00 0.00 C ATOM 221 CG LEU A 15 -7.390 1.511 1.190 1.00 0.00 C ATOM 222 CD1 LEU A 15 -8.440 2.600 0.950 1.00 0.00 C ATOM 223 CD2 LEU A 15 -7.605 0.925 2.590 1.00 0.00 C ATOM 0 H LEU A 15 -5.422 1.232 -0.918 1.00 0.00 H new ATOM 0 HA LEU A 15 -5.954 -0.774 0.982 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -7.705 0.900 -0.853 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -8.368 -0.208 0.332 1.00 0.00 H new ATOM 0 HG LEU A 15 -6.386 1.931 1.131 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -8.351 3.367 1.719 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -8.281 3.049 -0.030 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -9.436 2.160 0.990 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -7.515 1.717 3.334 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -8.599 0.482 2.650 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -6.854 0.159 2.783 1.00 0.00 H new ATOM 235 N ASN A 16 -6.801 -1.549 -2.149 1.00 0.00 N ATOM 236 CA ASN A 16 -7.191 -2.625 -3.054 1.00 0.00 C ATOM 237 C ASN A 16 -5.960 -3.399 -3.540 1.00 0.00 C ATOM 238 O ASN A 16 -5.624 -3.361 -4.723 1.00 0.00 O ATOM 239 CB ASN A 16 -8.009 -2.053 -4.224 1.00 0.00 C ATOM 240 CG ASN A 16 -9.391 -1.568 -3.785 1.00 0.00 C ATOM 241 OD1 ASN A 16 -10.373 -2.295 -3.915 1.00 0.00 O ATOM 242 ND2 ASN A 16 -9.483 -0.341 -3.270 1.00 0.00 N ATOM 0 H ASN A 16 -6.727 -0.643 -2.611 1.00 0.00 H new ATOM 0 HA ASN A 16 -7.822 -3.334 -2.518 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -7.463 -1.225 -4.676 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -8.122 -2.817 -4.993 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -10.389 0.020 -2.970 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -8.648 0.237 -3.176 1.00 0.00 H new ATOM 249 N MET A 17 -5.303 -4.115 -2.619 1.00 0.00 N ATOM 250 CA MET A 17 -4.145 -4.965 -2.877 1.00 0.00 C ATOM 251 C MET A 17 -4.294 -6.265 -2.077 1.00 0.00 C ATOM 252 O MET A 17 -3.915 -6.301 -0.907 1.00 0.00 O ATOM 253 CB MET A 17 -2.860 -4.215 -2.503 1.00 0.00 C ATOM 254 CG MET A 17 -2.333 -3.426 -3.701 1.00 0.00 C ATOM 255 SD MET A 17 -0.944 -2.334 -3.325 1.00 0.00 S ATOM 256 CE MET A 17 -0.827 -1.480 -4.909 1.00 0.00 C ATOM 0 H MET A 17 -5.578 -4.115 -1.637 1.00 0.00 H new ATOM 0 HA MET A 17 -4.085 -5.216 -3.936 1.00 0.00 H new ATOM 0 HB2 MET A 17 -3.056 -3.538 -1.672 1.00 0.00 H new ATOM 0 HB3 MET A 17 -2.104 -4.923 -2.165 1.00 0.00 H new ATOM 0 HG2 MET A 17 -2.027 -4.128 -4.477 1.00 0.00 H new ATOM 0 HG3 MET A 17 -3.147 -2.830 -4.114 1.00 0.00 H new ATOM 0 HE1 MET A 17 0.079 -0.874 -4.929 1.00 0.00 H new ATOM 0 HE2 MET A 17 -0.791 -2.212 -5.715 1.00 0.00 H new ATOM 0 HE3 MET A 17 -1.697 -0.837 -5.041 1.00 0.00 H new ATOM 266 N PRO A 18 -4.842 -7.331 -2.690 1.00 0.00 N ATOM 267 CA PRO A 18 -5.109 -8.618 -2.056 1.00 0.00 C ATOM 268 C PRO A 18 -3.941 -9.224 -1.273 1.00 0.00 C ATOM 269 O PRO A 18 -4.175 -9.898 -0.272 1.00 0.00 O ATOM 270 CB PRO A 18 -5.540 -9.551 -3.190 1.00 0.00 C ATOM 271 CG PRO A 18 -6.218 -8.596 -4.167 1.00 0.00 C ATOM 272 CD PRO A 18 -5.354 -7.342 -4.054 1.00 0.00 C ATOM 0 HA PRO A 18 -5.873 -8.476 -1.292 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -4.688 -10.058 -3.644 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -6.223 -10.325 -2.840 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -6.227 -8.993 -5.182 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -7.254 -8.401 -3.891 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -4.539 -7.363 -4.777 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -5.939 -6.445 -4.259 1.00 0.00 H new ATOM 280 N ASN A 19 -2.696 -9.001 -1.714 1.00 0.00 N ATOM 281 CA ASN A 19 -1.530 -9.660 -1.132 1.00 0.00 C ATOM 282 C ASN A 19 -0.956 -8.861 0.043 1.00 0.00 C ATOM 283 O ASN A 19 -0.105 -9.379 0.764 1.00 0.00 O ATOM 284 CB ASN A 19 -0.455 -9.879 -2.204 1.00 0.00 C ATOM 285 CG ASN A 19 -1.000 -10.557 -3.461 1.00 0.00 C ATOM 286 OD1 ASN A 19 -1.856 -11.435 -3.385 1.00 0.00 O ATOM 287 ND2 ASN A 19 -0.509 -10.144 -4.631 1.00 0.00 N ATOM 0 H ASN A 19 -2.474 -8.363 -2.478 1.00 0.00 H new ATOM 0 HA ASN A 19 -1.853 -10.627 -0.747 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -0.018 -8.918 -2.476 1.00 0.00 H new ATOM 0 HB3 ASN A 19 0.348 -10.488 -1.788 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -0.844 -10.560 -5.500 1.00 0.00 H new ATOM 0 HD22 ASN A 19 0.201 -9.412 -4.656 1.00 0.00 H new ATOM 294 N LEU A 20 -1.420 -7.620 0.251 1.00 0.00 N ATOM 295 CA LEU A 20 -1.080 -6.823 1.417 1.00 0.00 C ATOM 296 C LEU A 20 -2.155 -7.037 2.479 1.00 0.00 C ATOM 297 O LEU A 20 -3.330 -6.791 2.211 1.00 0.00 O ATOM 298 CB LEU A 20 -1.000 -5.336 1.045 1.00 0.00 C ATOM 299 CG LEU A 20 0.026 -5.022 -0.054 1.00 0.00 C ATOM 300 CD1 LEU A 20 0.125 -3.501 -0.213 1.00 0.00 C ATOM 301 CD2 LEU A 20 1.414 -5.576 0.267 1.00 0.00 C ATOM 0 H LEU A 20 -2.048 -7.145 -0.398 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.107 -7.130 1.800 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.984 -5.001 0.716 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -0.749 -4.762 1.937 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.315 -5.498 -0.973 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.851 -3.263 -0.991 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.850 -3.100 -0.491 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.445 -3.057 0.730 1.00 0.00 H new ATOM 0 HD21 LEU A 20 2.101 -5.327 -0.541 1.00 0.00 H new ATOM 0 HD22 LEU A 20 1.774 -5.138 1.198 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.358 -6.659 0.374 1.00 0.00 H new ATOM 313 N ASN A 21 -1.757 -7.471 3.683 1.00 0.00 N ATOM 314 CA ASN A 21 -2.674 -7.572 4.812 1.00 0.00 C ATOM 315 C ASN A 21 -2.684 -6.245 5.574 1.00 0.00 C ATOM 316 O ASN A 21 -1.999 -5.298 5.187 1.00 0.00 O ATOM 317 CB ASN A 21 -2.330 -8.779 5.704 1.00 0.00 C ATOM 318 CG ASN A 21 -1.336 -8.465 6.822 1.00 0.00 C ATOM 319 OD1 ASN A 21 -1.739 -8.143 7.938 1.00 0.00 O ATOM 320 ND2 ASN A 21 -0.039 -8.558 6.539 1.00 0.00 N ATOM 0 H ASN A 21 -0.801 -7.757 3.894 1.00 0.00 H new ATOM 0 HA ASN A 21 -3.686 -7.754 4.450 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -3.249 -9.164 6.147 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -1.920 -9.573 5.080 1.00 0.00 H new ATOM 0 HD21 ASN A 21 0.656 -8.359 7.259 1.00 0.00 H new ATOM 0 HD22 ASN A 21 0.260 -8.828 5.602 1.00 0.00 H new ATOM 327 N ALA A 22 -3.473 -6.188 6.653 1.00 0.00 N ATOM 328 CA ALA A 22 -3.694 -5.000 7.461 1.00 0.00 C ATOM 329 C ALA A 22 -2.402 -4.257 7.806 1.00 0.00 C ATOM 330 O ALA A 22 -2.312 -3.066 7.526 1.00 0.00 O ATOM 331 CB ALA A 22 -4.465 -5.379 8.728 1.00 0.00 C ATOM 0 H ALA A 22 -3.989 -6.999 6.993 1.00 0.00 H new ATOM 0 HA ALA A 22 -4.285 -4.305 6.864 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -4.630 -4.488 9.334 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -5.426 -5.814 8.453 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -3.889 -6.105 9.301 1.00 0.00 H new ATOM 337 N ASP A 23 -1.406 -4.923 8.408 1.00 0.00 N ATOM 338 CA ASP A 23 -0.199 -4.226 8.849 1.00 0.00 C ATOM 339 C ASP A 23 0.542 -3.569 7.679 1.00 0.00 C ATOM 340 O ASP A 23 1.021 -2.445 7.812 1.00 0.00 O ATOM 341 CB ASP A 23 0.713 -5.130 9.692 1.00 0.00 C ATOM 342 CG ASP A 23 1.389 -6.253 8.909 1.00 0.00 C ATOM 343 OD1 ASP A 23 2.413 -5.961 8.254 1.00 0.00 O ATOM 344 OD2 ASP A 23 0.879 -7.390 8.988 1.00 0.00 O ATOM 0 H ASP A 23 -1.414 -5.925 8.596 1.00 0.00 H new ATOM 0 HA ASP A 23 -0.519 -3.417 9.505 1.00 0.00 H new ATOM 0 HB2 ASP A 23 1.483 -4.515 10.158 1.00 0.00 H new ATOM 0 HB3 ASP A 23 0.124 -5.569 10.497 1.00 0.00 H new ATOM 349 N GLN A 24 0.623 -4.262 6.536 1.00 0.00 N ATOM 350 CA GLN A 24 1.323 -3.790 5.357 1.00 0.00 C ATOM 351 C GLN A 24 0.618 -2.561 4.781 1.00 0.00 C ATOM 352 O GLN A 24 1.224 -1.497 4.652 1.00 0.00 O ATOM 353 CB GLN A 24 1.382 -4.918 4.318 1.00 0.00 C ATOM 354 CG GLN A 24 2.032 -6.201 4.851 1.00 0.00 C ATOM 355 CD GLN A 24 1.920 -7.323 3.825 1.00 0.00 C ATOM 356 OE1 GLN A 24 1.123 -8.245 3.976 1.00 0.00 O ATOM 357 NE2 GLN A 24 2.717 -7.235 2.765 1.00 0.00 N ATOM 0 H GLN A 24 0.194 -5.179 6.413 1.00 0.00 H new ATOM 0 HA GLN A 24 2.339 -3.502 5.627 1.00 0.00 H new ATOM 0 HB2 GLN A 24 0.371 -5.145 3.980 1.00 0.00 H new ATOM 0 HB3 GLN A 24 1.939 -4.572 3.447 1.00 0.00 H new ATOM 0 HG2 GLN A 24 3.081 -6.015 5.082 1.00 0.00 H new ATOM 0 HG3 GLN A 24 1.549 -6.501 5.781 1.00 0.00 H new ATOM 0 HE21 GLN A 24 3.365 -6.452 2.678 1.00 0.00 H new ATOM 0 HE22 GLN A 24 2.680 -7.950 2.039 1.00 0.00 H new ATOM 366 N ARG A 25 -0.666 -2.717 4.431 1.00 0.00 N ATOM 367 CA ARG A 25 -1.446 -1.678 3.776 1.00 0.00 C ATOM 368 C ARG A 25 -1.624 -0.451 4.674 1.00 0.00 C ATOM 369 O ARG A 25 -1.431 0.667 4.202 1.00 0.00 O ATOM 370 CB ARG A 25 -2.754 -2.253 3.206 1.00 0.00 C ATOM 371 CG ARG A 25 -3.784 -2.729 4.238 1.00 0.00 C ATOM 372 CD ARG A 25 -4.846 -1.667 4.527 1.00 0.00 C ATOM 373 NE ARG A 25 -5.860 -2.179 5.453 1.00 0.00 N ATOM 374 CZ ARG A 25 -6.835 -1.439 6.006 1.00 0.00 C ATOM 375 NH1 ARG A 25 -6.942 -0.130 5.737 1.00 0.00 N ATOM 376 NH2 ARG A 25 -7.710 -2.017 6.840 1.00 0.00 N ATOM 0 H ARG A 25 -1.189 -3.576 4.599 1.00 0.00 H new ATOM 0 HA ARG A 25 -0.890 -1.308 2.915 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -3.220 -1.492 2.581 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -2.506 -3.092 2.556 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -4.268 -3.635 3.874 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -3.273 -2.991 5.165 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -4.374 -0.781 4.952 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -5.321 -1.359 3.595 1.00 0.00 H new ATOM 0 HE ARG A 25 -5.823 -3.169 5.695 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -6.278 0.317 5.105 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -7.688 0.419 6.164 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -7.633 -3.012 7.051 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -8.453 -1.462 7.264 1.00 0.00 H new ATOM 390 N ASN A 26 -1.958 -0.636 5.960 1.00 0.00 N ATOM 391 CA ASN A 26 -2.070 0.476 6.899 1.00 0.00 C ATOM 392 C ASN A 26 -0.720 1.165 7.084 1.00 0.00 C ATOM 393 O ASN A 26 -0.677 2.390 7.140 1.00 0.00 O ATOM 394 CB ASN A 26 -2.641 0.041 8.254 1.00 0.00 C ATOM 395 CG ASN A 26 -4.140 -0.243 8.179 1.00 0.00 C ATOM 396 OD1 ASN A 26 -4.938 0.677 8.014 1.00 0.00 O ATOM 397 ND2 ASN A 26 -4.534 -1.509 8.309 1.00 0.00 N ATOM 0 H ASN A 26 -2.154 -1.550 6.368 1.00 0.00 H new ATOM 0 HA ASN A 26 -2.774 1.187 6.466 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -2.120 -0.853 8.597 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -2.456 0.821 8.992 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -5.527 -1.740 8.273 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -3.843 -2.247 8.445 1.00 0.00 H new ATOM 404 N GLY A 27 0.373 0.394 7.164 1.00 0.00 N ATOM 405 CA GLY A 27 1.723 0.933 7.237 1.00 0.00 C ATOM 406 C GLY A 27 1.965 1.952 6.123 1.00 0.00 C ATOM 407 O GLY A 27 2.347 3.090 6.396 1.00 0.00 O ATOM 0 H GLY A 27 0.337 -0.625 7.179 1.00 0.00 H new ATOM 0 HA2 GLY A 27 1.878 1.405 8.207 1.00 0.00 H new ATOM 0 HA3 GLY A 27 2.447 0.122 7.157 1.00 0.00 H new ATOM 411 N PHE A 28 1.719 1.544 4.872 1.00 0.00 N ATOM 412 CA PHE A 28 1.859 2.413 3.714 1.00 0.00 C ATOM 413 C PHE A 28 0.921 3.622 3.786 1.00 0.00 C ATOM 414 O PHE A 28 1.377 4.742 3.570 1.00 0.00 O ATOM 415 CB PHE A 28 1.651 1.615 2.418 1.00 0.00 C ATOM 416 CG PHE A 28 2.807 0.716 2.009 1.00 0.00 C ATOM 417 CD1 PHE A 28 4.108 1.244 1.882 1.00 0.00 C ATOM 418 CD2 PHE A 28 2.560 -0.612 1.609 1.00 0.00 C ATOM 419 CE1 PHE A 28 5.156 0.445 1.395 1.00 0.00 C ATOM 420 CE2 PHE A 28 3.604 -1.399 1.091 1.00 0.00 C ATOM 421 CZ PHE A 28 4.901 -0.871 0.982 1.00 0.00 C ATOM 0 H PHE A 28 1.417 0.597 4.642 1.00 0.00 H new ATOM 0 HA PHE A 28 2.875 2.808 3.715 1.00 0.00 H new ATOM 0 HB2 PHE A 28 0.758 1.000 2.530 1.00 0.00 H new ATOM 0 HB3 PHE A 28 1.455 2.317 1.607 1.00 0.00 H new ATOM 0 HD1 PHE A 28 4.300 2.269 2.161 1.00 0.00 H new ATOM 0 HD2 PHE A 28 1.567 -1.027 1.700 1.00 0.00 H new ATOM 0 HE1 PHE A 28 6.158 0.844 1.339 1.00 0.00 H new ATOM 0 HE2 PHE A 28 3.408 -2.413 0.776 1.00 0.00 H new ATOM 0 HZ PHE A 28 5.700 -1.477 0.581 1.00 0.00 H new ATOM 431 N ILE A 29 -0.369 3.417 4.088 1.00 0.00 N ATOM 432 CA ILE A 29 -1.351 4.499 4.179 1.00 0.00 C ATOM 433 C ILE A 29 -0.883 5.571 5.166 1.00 0.00 C ATOM 434 O ILE A 29 -0.923 6.754 4.837 1.00 0.00 O ATOM 435 CB ILE A 29 -2.744 3.946 4.543 1.00 0.00 C ATOM 436 CG1 ILE A 29 -3.314 3.161 3.348 1.00 0.00 C ATOM 437 CG2 ILE A 29 -3.722 5.069 4.927 1.00 0.00 C ATOM 438 CD1 ILE A 29 -4.485 2.253 3.733 1.00 0.00 C ATOM 0 H ILE A 29 -0.758 2.493 4.276 1.00 0.00 H new ATOM 0 HA ILE A 29 -1.439 4.973 3.201 1.00 0.00 H new ATOM 0 HB ILE A 29 -2.627 3.291 5.406 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -3.643 3.864 2.582 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -2.522 2.556 2.907 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -4.691 4.638 5.176 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -3.333 5.611 5.789 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -3.835 5.755 4.088 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -4.843 1.726 2.848 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -4.154 1.529 4.477 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -5.292 2.857 4.148 1.00 0.00 H new ATOM 450 N GLN A 30 -0.442 5.169 6.363 1.00 0.00 N ATOM 451 CA GLN A 30 0.037 6.088 7.385 1.00 0.00 C ATOM 452 C GLN A 30 1.291 6.827 6.918 1.00 0.00 C ATOM 453 O GLN A 30 1.367 8.042 7.075 1.00 0.00 O ATOM 454 CB GLN A 30 0.283 5.347 8.706 1.00 0.00 C ATOM 455 CG GLN A 30 -1.014 4.845 9.358 1.00 0.00 C ATOM 456 CD GLN A 30 -1.943 5.987 9.764 1.00 0.00 C ATOM 457 OE1 GLN A 30 -1.739 6.620 10.797 1.00 0.00 O ATOM 458 NE2 GLN A 30 -2.970 6.256 8.954 1.00 0.00 N ATOM 0 H GLN A 30 -0.410 4.189 6.645 1.00 0.00 H new ATOM 0 HA GLN A 30 -0.736 6.836 7.559 1.00 0.00 H new ATOM 0 HB2 GLN A 30 0.944 4.500 8.524 1.00 0.00 H new ATOM 0 HB3 GLN A 30 0.799 6.011 9.399 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -1.535 4.186 8.663 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -0.768 4.250 10.238 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -3.107 5.708 8.105 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -3.618 7.009 9.185 1.00 0.00 H new ATOM 467 N SER A 31 2.264 6.115 6.333 1.00 0.00 N ATOM 468 CA SER A 31 3.474 6.730 5.794 1.00 0.00 C ATOM 469 C SER A 31 3.128 7.827 4.781 1.00 0.00 C ATOM 470 O SER A 31 3.692 8.919 4.826 1.00 0.00 O ATOM 471 CB SER A 31 4.370 5.664 5.153 1.00 0.00 C ATOM 472 OG SER A 31 4.714 4.671 6.096 1.00 0.00 O ATOM 0 H SER A 31 2.230 5.102 6.223 1.00 0.00 H new ATOM 0 HA SER A 31 4.018 7.194 6.616 1.00 0.00 H new ATOM 0 HB2 SER A 31 3.854 5.208 4.308 1.00 0.00 H new ATOM 0 HB3 SER A 31 5.274 6.129 4.761 1.00 0.00 H new ATOM 0 HG SER A 31 3.943 4.087 6.252 1.00 0.00 H new ATOM 478 N LEU A 32 2.187 7.533 3.877 1.00 0.00 N ATOM 479 CA LEU A 32 1.712 8.466 2.868 1.00 0.00 C ATOM 480 C LEU A 32 1.023 9.659 3.539 1.00 0.00 C ATOM 481 O LEU A 32 1.310 10.805 3.211 1.00 0.00 O ATOM 482 CB LEU A 32 0.763 7.730 1.910 1.00 0.00 C ATOM 483 CG LEU A 32 0.825 8.231 0.461 1.00 0.00 C ATOM 484 CD1 LEU A 32 -0.219 7.461 -0.357 1.00 0.00 C ATOM 485 CD2 LEU A 32 0.601 9.741 0.355 1.00 0.00 C ATOM 0 H LEU A 32 1.731 6.622 3.831 1.00 0.00 H new ATOM 0 HA LEU A 32 2.552 8.854 2.292 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.001 6.666 1.926 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.258 7.834 2.276 1.00 0.00 H new ATOM 0 HG LEU A 32 1.825 8.049 0.067 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -0.193 7.801 -1.392 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.004 6.395 -0.320 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -1.211 7.639 0.059 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.655 10.044 -0.691 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.381 9.992 0.756 1.00 0.00 H new ATOM 0 HD23 LEU A 32 1.370 10.264 0.924 1.00 0.00 H new ATOM 497 N LYS A 33 0.119 9.393 4.489 1.00 0.00 N ATOM 498 CA LYS A 33 -0.608 10.408 5.240 1.00 0.00 C ATOM 499 C LYS A 33 0.356 11.390 5.915 1.00 0.00 C ATOM 500 O LYS A 33 0.108 12.594 5.907 1.00 0.00 O ATOM 501 CB LYS A 33 -1.527 9.715 6.256 1.00 0.00 C ATOM 502 CG LYS A 33 -2.403 10.704 7.031 1.00 0.00 C ATOM 503 CD LYS A 33 -3.312 9.939 8.001 1.00 0.00 C ATOM 504 CE LYS A 33 -4.201 10.883 8.817 1.00 0.00 C ATOM 505 NZ LYS A 33 -3.413 11.732 9.728 1.00 0.00 N ATOM 0 H LYS A 33 -0.129 8.441 4.759 1.00 0.00 H new ATOM 0 HA LYS A 33 -1.222 10.997 4.559 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -2.165 9.002 5.735 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -0.920 9.145 6.959 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -1.776 11.406 7.581 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -3.006 11.291 6.338 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -3.938 9.245 7.441 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -2.700 9.342 8.677 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -4.777 11.514 8.140 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -4.917 10.298 9.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -4.054 12.244 10.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -2.769 11.137 10.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -2.859 12.415 9.173 1.00 0.00 H new ATOM 519 N ASP A 34 1.453 10.878 6.488 1.00 0.00 N ATOM 520 CA ASP A 34 2.474 11.687 7.141 1.00 0.00 C ATOM 521 C ASP A 34 3.157 12.640 6.155 1.00 0.00 C ATOM 522 O ASP A 34 3.455 13.774 6.526 1.00 0.00 O ATOM 523 CB ASP A 34 3.515 10.791 7.830 1.00 0.00 C ATOM 524 CG ASP A 34 2.922 9.870 8.897 1.00 0.00 C ATOM 525 OD1 ASP A 34 1.927 10.282 9.534 1.00 0.00 O ATOM 526 OD2 ASP A 34 3.481 8.764 9.060 1.00 0.00 O ATOM 0 H ASP A 34 1.653 9.878 6.508 1.00 0.00 H new ATOM 0 HA ASP A 34 1.977 12.294 7.898 1.00 0.00 H new ATOM 0 HB2 ASP A 34 4.015 10.184 7.076 1.00 0.00 H new ATOM 0 HB3 ASP A 34 4.277 11.421 8.289 1.00 0.00 H new ATOM 531 N ASP A 35 3.404 12.191 4.914 1.00 0.00 N ATOM 532 CA ASP A 35 4.036 12.997 3.874 1.00 0.00 C ATOM 533 C ASP A 35 3.289 12.816 2.543 1.00 0.00 C ATOM 534 O ASP A 35 3.698 11.994 1.724 1.00 0.00 O ATOM 535 CB ASP A 35 5.521 12.613 3.773 1.00 0.00 C ATOM 536 CG ASP A 35 6.315 13.517 2.828 1.00 0.00 C ATOM 537 OD1 ASP A 35 5.730 14.504 2.330 1.00 0.00 O ATOM 538 OD2 ASP A 35 7.507 13.201 2.623 1.00 0.00 O ATOM 0 H ASP A 35 3.166 11.248 4.608 1.00 0.00 H new ATOM 0 HA ASP A 35 3.982 14.056 4.126 1.00 0.00 H new ATOM 0 HB2 ASP A 35 5.969 12.654 4.766 1.00 0.00 H new ATOM 0 HB3 ASP A 35 5.600 11.581 3.430 1.00 0.00 H new ATOM 543 N PRO A 36 2.198 13.574 2.318 1.00 0.00 N ATOM 544 CA PRO A 36 1.329 13.476 1.146 1.00 0.00 C ATOM 545 C PRO A 36 2.053 13.483 -0.204 1.00 0.00 C ATOM 546 O PRO A 36 1.596 12.835 -1.145 1.00 0.00 O ATOM 547 CB PRO A 36 0.362 14.656 1.256 1.00 0.00 C ATOM 548 CG PRO A 36 0.229 14.832 2.765 1.00 0.00 C ATOM 549 CD PRO A 36 1.648 14.546 3.251 1.00 0.00 C ATOM 0 HA PRO A 36 0.829 12.507 1.155 1.00 0.00 H new ATOM 0 HB2 PRO A 36 0.757 15.551 0.776 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -0.598 14.440 0.786 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -0.097 15.838 3.030 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -0.495 14.139 3.193 1.00 0.00 H new ATOM 0 HD2 PRO A 36 2.247 15.456 3.266 1.00 0.00 H new ATOM 0 HD3 PRO A 36 1.641 14.152 4.267 1.00 0.00 H new ATOM 557 N SER A 37 3.176 14.210 -0.306 1.00 0.00 N ATOM 558 CA SER A 37 3.961 14.308 -1.531 1.00 0.00 C ATOM 559 C SER A 37 4.451 12.946 -2.038 1.00 0.00 C ATOM 560 O SER A 37 4.716 12.803 -3.230 1.00 0.00 O ATOM 561 CB SER A 37 5.138 15.269 -1.328 1.00 0.00 C ATOM 562 OG SER A 37 6.075 14.740 -0.415 1.00 0.00 O ATOM 0 H SER A 37 3.562 14.748 0.470 1.00 0.00 H new ATOM 0 HA SER A 37 3.301 14.703 -2.303 1.00 0.00 H new ATOM 0 HB2 SER A 37 5.625 15.459 -2.284 1.00 0.00 H new ATOM 0 HB3 SER A 37 4.770 16.227 -0.962 1.00 0.00 H new ATOM 0 HG SER A 37 5.710 14.789 0.493 1.00 0.00 H new ATOM 568 N GLN A 38 4.556 11.944 -1.153 1.00 0.00 N ATOM 569 CA GLN A 38 5.086 10.626 -1.477 1.00 0.00 C ATOM 570 C GLN A 38 3.970 9.696 -1.967 1.00 0.00 C ATOM 571 O GLN A 38 3.972 8.509 -1.651 1.00 0.00 O ATOM 572 CB GLN A 38 5.785 10.058 -0.228 1.00 0.00 C ATOM 573 CG GLN A 38 6.948 10.939 0.242 1.00 0.00 C ATOM 574 CD GLN A 38 8.057 11.031 -0.803 1.00 0.00 C ATOM 575 OE1 GLN A 38 8.227 12.065 -1.443 1.00 0.00 O ATOM 576 NE2 GLN A 38 8.814 9.946 -0.980 1.00 0.00 N ATOM 0 H GLN A 38 4.269 12.035 -0.179 1.00 0.00 H new ATOM 0 HA GLN A 38 5.810 10.707 -2.288 1.00 0.00 H new ATOM 0 HB2 GLN A 38 5.058 9.959 0.578 1.00 0.00 H new ATOM 0 HB3 GLN A 38 6.156 9.057 -0.447 1.00 0.00 H new ATOM 0 HG2 GLN A 38 6.577 11.939 0.466 1.00 0.00 H new ATOM 0 HG3 GLN A 38 7.356 10.536 1.169 1.00 0.00 H new ATOM 0 HE21 GLN A 38 8.639 9.107 -0.427 1.00 0.00 H new ATOM 0 HE22 GLN A 38 9.567 9.956 -1.668 1.00 0.00 H new ATOM 585 N SER A 39 3.027 10.224 -2.759 1.00 0.00 N ATOM 586 CA SER A 39 1.941 9.448 -3.341 1.00 0.00 C ATOM 587 C SER A 39 2.501 8.399 -4.302 1.00 0.00 C ATOM 588 O SER A 39 2.292 7.205 -4.100 1.00 0.00 O ATOM 589 CB SER A 39 0.943 10.379 -4.041 1.00 0.00 C ATOM 590 OG SER A 39 0.272 11.192 -3.100 1.00 0.00 O ATOM 0 H SER A 39 3.003 11.212 -3.012 1.00 0.00 H new ATOM 0 HA SER A 39 1.407 8.923 -2.549 1.00 0.00 H new ATOM 0 HB2 SER A 39 1.467 11.006 -4.762 1.00 0.00 H new ATOM 0 HB3 SER A 39 0.218 9.788 -4.601 1.00 0.00 H new ATOM 0 HG SER A 39 0.930 11.680 -2.562 1.00 0.00 H new ATOM 596 N ALA A 40 3.220 8.852 -5.336 1.00 0.00 N ATOM 597 CA ALA A 40 3.833 7.992 -6.340 1.00 0.00 C ATOM 598 C ALA A 40 4.846 7.029 -5.714 1.00 0.00 C ATOM 599 O ALA A 40 4.912 5.866 -6.105 1.00 0.00 O ATOM 600 CB ALA A 40 4.502 8.859 -7.409 1.00 0.00 C ATOM 0 H ALA A 40 3.392 9.845 -5.496 1.00 0.00 H new ATOM 0 HA ALA A 40 3.053 7.385 -6.799 1.00 0.00 H new ATOM 0 HB1 ALA A 40 4.962 8.218 -8.162 1.00 0.00 H new ATOM 0 HB2 ALA A 40 3.754 9.495 -7.882 1.00 0.00 H new ATOM 0 HB3 ALA A 40 5.268 9.482 -6.946 1.00 0.00 H new ATOM 606 N ASN A 41 5.633 7.515 -4.746 1.00 0.00 N ATOM 607 CA ASN A 41 6.643 6.730 -4.053 1.00 0.00 C ATOM 608 C ASN A 41 5.999 5.557 -3.311 1.00 0.00 C ATOM 609 O ASN A 41 6.324 4.405 -3.591 1.00 0.00 O ATOM 610 CB ASN A 41 7.428 7.645 -3.106 1.00 0.00 C ATOM 611 CG ASN A 41 8.463 6.876 -2.288 1.00 0.00 C ATOM 612 OD1 ASN A 41 9.597 6.702 -2.727 1.00 0.00 O ATOM 613 ND2 ASN A 41 8.082 6.421 -1.093 1.00 0.00 N ATOM 0 H ASN A 41 5.579 8.481 -4.423 1.00 0.00 H new ATOM 0 HA ASN A 41 7.339 6.303 -4.776 1.00 0.00 H new ATOM 0 HB2 ASN A 41 7.929 8.421 -3.685 1.00 0.00 H new ATOM 0 HB3 ASN A 41 6.735 8.148 -2.432 1.00 0.00 H new ATOM 0 HD21 ASN A 41 8.742 5.908 -0.508 1.00 0.00 H new ATOM 0 HD22 ASN A 41 7.131 6.586 -0.764 1.00 0.00 H new ATOM 620 N VAL A 42 5.089 5.849 -2.373 1.00 0.00 N ATOM 621 CA VAL A 42 4.411 4.830 -1.582 1.00 0.00 C ATOM 622 C VAL A 42 3.639 3.874 -2.489 1.00 0.00 C ATOM 623 O VAL A 42 3.670 2.667 -2.258 1.00 0.00 O ATOM 624 CB VAL A 42 3.500 5.481 -0.528 1.00 0.00 C ATOM 625 CG1 VAL A 42 2.611 4.434 0.152 1.00 0.00 C ATOM 626 CG2 VAL A 42 4.346 6.171 0.552 1.00 0.00 C ATOM 0 H VAL A 42 4.806 6.802 -2.146 1.00 0.00 H new ATOM 0 HA VAL A 42 5.159 4.243 -1.049 1.00 0.00 H new ATOM 0 HB VAL A 42 2.874 6.211 -1.041 1.00 0.00 H new ATOM 0 HG11 VAL A 42 1.977 4.921 0.893 1.00 0.00 H new ATOM 0 HG12 VAL A 42 1.986 3.946 -0.596 1.00 0.00 H new ATOM 0 HG13 VAL A 42 3.237 3.689 0.644 1.00 0.00 H new ATOM 0 HG21 VAL A 42 3.689 6.628 1.292 1.00 0.00 H new ATOM 0 HG22 VAL A 42 4.985 5.435 1.039 1.00 0.00 H new ATOM 0 HG23 VAL A 42 4.965 6.941 0.092 1.00 0.00 H new ATOM 636 N LEU A 43 2.961 4.400 -3.518 1.00 0.00 N ATOM 637 CA LEU A 43 2.270 3.584 -4.505 1.00 0.00 C ATOM 638 C LEU A 43 3.240 2.582 -5.133 1.00 0.00 C ATOM 639 O LEU A 43 2.935 1.396 -5.181 1.00 0.00 O ATOM 640 CB LEU A 43 1.613 4.483 -5.562 1.00 0.00 C ATOM 641 CG LEU A 43 0.937 3.706 -6.703 1.00 0.00 C ATOM 642 CD1 LEU A 43 -0.181 2.792 -6.188 1.00 0.00 C ATOM 643 CD2 LEU A 43 0.361 4.707 -7.710 1.00 0.00 C ATOM 0 H LEU A 43 2.881 5.403 -3.683 1.00 0.00 H new ATOM 0 HA LEU A 43 1.480 3.014 -4.017 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.871 5.116 -5.076 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.369 5.145 -5.984 1.00 0.00 H new ATOM 0 HG LEU A 43 1.686 3.072 -7.177 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.632 2.261 -7.026 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.234 2.071 -5.483 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.941 3.393 -5.688 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.121 4.167 -8.525 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.371 5.343 -7.213 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.165 5.324 -8.110 1.00 0.00 H new ATOM 655 N GLY A 44 4.407 3.047 -5.595 1.00 0.00 N ATOM 656 CA GLY A 44 5.445 2.202 -6.171 1.00 0.00 C ATOM 657 C GLY A 44 5.840 1.065 -5.228 1.00 0.00 C ATOM 658 O GLY A 44 5.855 -0.097 -5.632 1.00 0.00 O ATOM 0 H GLY A 44 4.655 4.036 -5.576 1.00 0.00 H new ATOM 0 HA2 GLY A 44 5.093 1.786 -7.115 1.00 0.00 H new ATOM 0 HA3 GLY A 44 6.322 2.808 -6.398 1.00 0.00 H new ATOM 662 N GLU A 45 6.147 1.402 -3.969 1.00 0.00 N ATOM 663 CA GLU A 45 6.518 0.427 -2.952 1.00 0.00 C ATOM 664 C GLU A 45 5.393 -0.583 -2.701 1.00 0.00 C ATOM 665 O GLU A 45 5.665 -1.767 -2.523 1.00 0.00 O ATOM 666 CB GLU A 45 6.906 1.137 -1.647 1.00 0.00 C ATOM 667 CG GLU A 45 8.144 2.032 -1.789 1.00 0.00 C ATOM 668 CD GLU A 45 9.382 1.234 -2.188 1.00 0.00 C ATOM 669 OE1 GLU A 45 9.909 0.523 -1.305 1.00 0.00 O ATOM 670 OE2 GLU A 45 9.779 1.348 -3.369 1.00 0.00 O ATOM 0 H GLU A 45 6.143 2.365 -3.632 1.00 0.00 H new ATOM 0 HA GLU A 45 7.381 -0.127 -3.322 1.00 0.00 H new ATOM 0 HB2 GLU A 45 6.066 1.742 -1.307 1.00 0.00 H new ATOM 0 HB3 GLU A 45 7.093 0.389 -0.876 1.00 0.00 H new ATOM 0 HG2 GLU A 45 7.952 2.801 -2.537 1.00 0.00 H new ATOM 0 HG3 GLU A 45 8.331 2.545 -0.845 1.00 0.00 H new ATOM 677 N ALA A 46 4.137 -0.123 -2.683 1.00 0.00 N ATOM 678 CA ALA A 46 2.976 -0.962 -2.428 1.00 0.00 C ATOM 679 C ALA A 46 2.717 -1.931 -3.583 1.00 0.00 C ATOM 680 O ALA A 46 2.498 -3.117 -3.342 1.00 0.00 O ATOM 681 CB ALA A 46 1.764 -0.079 -2.134 1.00 0.00 C ATOM 0 H ALA A 46 3.903 0.856 -2.848 1.00 0.00 H new ATOM 0 HA ALA A 46 3.171 -1.581 -1.552 1.00 0.00 H new ATOM 0 HB1 ALA A 46 0.894 -0.707 -1.943 1.00 0.00 H new ATOM 0 HB2 ALA A 46 1.966 0.537 -1.258 1.00 0.00 H new ATOM 0 HB3 ALA A 46 1.566 0.564 -2.991 1.00 0.00 H new ATOM 687 N GLN A 47 2.759 -1.436 -4.827 1.00 0.00 N ATOM 688 CA GLN A 47 2.674 -2.247 -6.035 1.00 0.00 C ATOM 689 C GLN A 47 3.727 -3.354 -5.987 1.00 0.00 C ATOM 690 O GLN A 47 3.402 -4.517 -6.210 1.00 0.00 O ATOM 691 CB GLN A 47 2.893 -1.376 -7.284 1.00 0.00 C ATOM 692 CG GLN A 47 1.718 -0.450 -7.637 1.00 0.00 C ATOM 693 CD GLN A 47 0.434 -1.158 -8.075 1.00 0.00 C ATOM 694 OE1 GLN A 47 -0.656 -0.640 -7.847 1.00 0.00 O ATOM 695 NE2 GLN A 47 0.536 -2.329 -8.708 1.00 0.00 N ATOM 0 H GLN A 47 2.855 -0.439 -5.019 1.00 0.00 H new ATOM 0 HA GLN A 47 1.680 -2.692 -6.089 1.00 0.00 H new ATOM 0 HB2 GLN A 47 3.785 -0.767 -7.134 1.00 0.00 H new ATOM 0 HB3 GLN A 47 3.092 -2.028 -8.134 1.00 0.00 H new ATOM 0 HG2 GLN A 47 1.493 0.170 -6.770 1.00 0.00 H new ATOM 0 HG3 GLN A 47 2.033 0.221 -8.436 1.00 0.00 H new ATOM 0 HE21 GLN A 47 1.455 -2.735 -8.884 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -0.305 -2.817 -9.016 1.00 0.00 H new ATOM 704 N LYS A 48 4.980 -2.988 -5.690 1.00 0.00 N ATOM 705 CA LYS A 48 6.090 -3.923 -5.610 1.00 0.00 C ATOM 706 C LYS A 48 5.849 -4.977 -4.524 1.00 0.00 C ATOM 707 O LYS A 48 5.977 -6.168 -4.798 1.00 0.00 O ATOM 708 CB LYS A 48 7.396 -3.146 -5.383 1.00 0.00 C ATOM 709 CG LYS A 48 8.641 -4.038 -5.263 1.00 0.00 C ATOM 710 CD LYS A 48 8.871 -4.996 -6.442 1.00 0.00 C ATOM 711 CE LYS A 48 9.011 -4.264 -7.781 1.00 0.00 C ATOM 712 NZ LYS A 48 9.325 -5.205 -8.869 1.00 0.00 N ATOM 0 H LYS A 48 5.246 -2.022 -5.498 1.00 0.00 H new ATOM 0 HA LYS A 48 6.173 -4.465 -6.552 1.00 0.00 H new ATOM 0 HB2 LYS A 48 7.540 -2.448 -6.208 1.00 0.00 H new ATOM 0 HB3 LYS A 48 7.299 -2.551 -4.475 1.00 0.00 H new ATOM 0 HG2 LYS A 48 9.518 -3.399 -5.157 1.00 0.00 H new ATOM 0 HG3 LYS A 48 8.562 -4.625 -4.348 1.00 0.00 H new ATOM 0 HD2 LYS A 48 9.771 -5.583 -6.258 1.00 0.00 H new ATOM 0 HD3 LYS A 48 8.039 -5.698 -6.502 1.00 0.00 H new ATOM 0 HE2 LYS A 48 8.085 -3.736 -8.009 1.00 0.00 H new ATOM 0 HE3 LYS A 48 9.797 -3.512 -7.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 9.414 -4.683 -9.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 10.221 -5.691 -8.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 8.562 -5.907 -8.952 1.00 0.00 H new ATOM 726 N LEU A 49 5.505 -4.547 -3.303 1.00 0.00 N ATOM 727 CA LEU A 49 5.321 -5.435 -2.159 1.00 0.00 C ATOM 728 C LEU A 49 4.164 -6.413 -2.393 1.00 0.00 C ATOM 729 O LEU A 49 4.252 -7.578 -2.006 1.00 0.00 O ATOM 730 CB LEU A 49 5.132 -4.602 -0.877 1.00 0.00 C ATOM 731 CG LEU A 49 5.233 -5.434 0.416 1.00 0.00 C ATOM 732 CD1 LEU A 49 6.665 -5.923 0.649 1.00 0.00 C ATOM 733 CD2 LEU A 49 4.840 -4.612 1.648 1.00 0.00 C ATOM 0 H LEU A 49 5.346 -3.563 -3.085 1.00 0.00 H new ATOM 0 HA LEU A 49 6.216 -6.044 -2.035 1.00 0.00 H new ATOM 0 HB2 LEU A 49 5.883 -3.813 -0.852 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.158 -4.114 -0.911 1.00 0.00 H new ATOM 0 HG LEU A 49 4.552 -6.275 0.286 1.00 0.00 H new ATOM 0 HD11 LEU A 49 6.705 -6.507 1.568 1.00 0.00 H new ATOM 0 HD12 LEU A 49 6.978 -6.545 -0.190 1.00 0.00 H new ATOM 0 HD13 LEU A 49 7.333 -5.066 0.734 1.00 0.00 H new ATOM 0 HD21 LEU A 49 4.923 -5.232 2.541 1.00 0.00 H new ATOM 0 HD22 LEU A 49 5.505 -3.753 1.739 1.00 0.00 H new ATOM 0 HD23 LEU A 49 3.812 -4.266 1.542 1.00 0.00 H new ATOM 745 N ASN A 50 3.086 -5.943 -3.035 1.00 0.00 N ATOM 746 CA ASN A 50 1.949 -6.769 -3.414 1.00 0.00 C ATOM 747 C ASN A 50 2.370 -7.793 -4.471 1.00 0.00 C ATOM 748 O ASN A 50 2.135 -8.988 -4.303 1.00 0.00 O ATOM 749 CB ASN A 50 0.812 -5.874 -3.930 1.00 0.00 C ATOM 750 CG ASN A 50 -0.414 -6.687 -4.349 1.00 0.00 C ATOM 751 OD1 ASN A 50 -1.293 -6.968 -3.536 1.00 0.00 O ATOM 752 ND2 ASN A 50 -0.482 -7.068 -5.626 1.00 0.00 N ATOM 0 H ASN A 50 2.985 -4.965 -3.306 1.00 0.00 H new ATOM 0 HA ASN A 50 1.589 -7.316 -2.543 1.00 0.00 H new ATOM 0 HB2 ASN A 50 0.528 -5.165 -3.153 1.00 0.00 H new ATOM 0 HB3 ASN A 50 1.167 -5.290 -4.779 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -1.281 -7.610 -5.955 1.00 0.00 H new ATOM 0 HD22 ASN A 50 0.265 -6.817 -6.273 1.00 0.00 H new ATOM 759 N ASP A 51 2.979 -7.312 -5.561 1.00 0.00 N ATOM 760 CA ASP A 51 3.370 -8.105 -6.718 1.00 0.00 C ATOM 761 C ASP A 51 4.334 -9.230 -6.338 1.00 0.00 C ATOM 762 O ASP A 51 4.136 -10.372 -6.748 1.00 0.00 O ATOM 763 CB ASP A 51 3.993 -7.183 -7.772 1.00 0.00 C ATOM 764 CG ASP A 51 4.460 -7.961 -8.999 1.00 0.00 C ATOM 765 OD1 ASP A 51 3.578 -8.354 -9.793 1.00 0.00 O ATOM 766 OD2 ASP A 51 5.690 -8.151 -9.119 1.00 0.00 O ATOM 0 H ASP A 51 3.219 -6.325 -5.659 1.00 0.00 H new ATOM 0 HA ASP A 51 2.480 -8.581 -7.130 1.00 0.00 H new ATOM 0 HB2 ASP A 51 3.264 -6.431 -8.074 1.00 0.00 H new ATOM 0 HB3 ASP A 51 4.838 -6.651 -7.336 1.00 0.00 H new ATOM 771 N SER A 52 5.373 -8.909 -5.560 1.00 0.00 N ATOM 772 CA SER A 52 6.372 -9.872 -5.118 1.00 0.00 C ATOM 773 C SER A 52 5.727 -11.034 -4.357 1.00 0.00 C ATOM 774 O SER A 52 6.150 -12.177 -4.515 1.00 0.00 O ATOM 775 CB SER A 52 7.434 -9.164 -4.271 1.00 0.00 C ATOM 776 OG SER A 52 6.849 -8.553 -3.141 1.00 0.00 O ATOM 0 H SER A 52 5.541 -7.962 -5.219 1.00 0.00 H new ATOM 0 HA SER A 52 6.858 -10.300 -5.995 1.00 0.00 H new ATOM 0 HB2 SER A 52 8.189 -9.882 -3.951 1.00 0.00 H new ATOM 0 HB3 SER A 52 7.944 -8.412 -4.873 1.00 0.00 H new ATOM 0 HG SER A 52 6.457 -7.693 -3.400 1.00 0.00 H new ATOM 782 N GLN A 53 4.702 -10.740 -3.547 1.00 0.00 N ATOM 783 CA GLN A 53 3.983 -11.721 -2.745 1.00 0.00 C ATOM 784 C GLN A 53 2.692 -12.178 -3.439 1.00 0.00 C ATOM 785 O GLN A 53 1.730 -12.540 -2.765 1.00 0.00 O ATOM 786 CB GLN A 53 3.721 -11.123 -1.355 1.00 0.00 C ATOM 787 CG GLN A 53 5.046 -10.886 -0.619 1.00 0.00 C ATOM 788 CD GLN A 53 4.831 -10.186 0.717 1.00 0.00 C ATOM 789 OE1 GLN A 53 4.891 -10.811 1.772 1.00 0.00 O ATOM 790 NE2 GLN A 53 4.589 -8.877 0.671 1.00 0.00 N ATOM 0 H GLN A 53 4.347 -9.791 -3.433 1.00 0.00 H new ATOM 0 HA GLN A 53 4.591 -12.619 -2.631 1.00 0.00 H new ATOM 0 HB2 GLN A 53 3.178 -10.183 -1.453 1.00 0.00 H new ATOM 0 HB3 GLN A 53 3.090 -11.797 -0.775 1.00 0.00 H new ATOM 0 HG2 GLN A 53 5.546 -11.840 -0.454 1.00 0.00 H new ATOM 0 HG3 GLN A 53 5.706 -10.284 -1.243 1.00 0.00 H new ATOM 0 HE21 GLN A 53 4.548 -8.397 -0.228 1.00 0.00 H new ATOM 0 HE22 GLN A 53 4.445 -8.354 1.535 1.00 0.00 H new ATOM 799 N ALA A 54 2.668 -12.189 -4.779 1.00 0.00 N ATOM 800 CA ALA A 54 1.561 -12.738 -5.547 1.00 0.00 C ATOM 801 C ALA A 54 1.677 -14.267 -5.584 1.00 0.00 C ATOM 802 O ALA A 54 2.720 -14.766 -6.004 1.00 0.00 O ATOM 803 CB ALA A 54 1.577 -12.163 -6.966 1.00 0.00 C ATOM 0 H ALA A 54 3.422 -11.814 -5.355 1.00 0.00 H new ATOM 0 HA ALA A 54 0.617 -12.466 -5.075 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.746 -12.578 -7.536 1.00 0.00 H new ATOM 0 HB2 ALA A 54 1.480 -11.078 -6.920 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.517 -12.423 -7.453 1.00 0.00 H new ATOM 809 N PRO A 55 0.641 -15.021 -5.167 1.00 0.00 N ATOM 810 CA PRO A 55 0.604 -16.476 -5.269 1.00 0.00 C ATOM 811 C PRO A 55 0.985 -16.979 -6.664 1.00 0.00 C ATOM 812 O PRO A 55 1.814 -17.877 -6.792 1.00 0.00 O ATOM 813 CB PRO A 55 -0.824 -16.885 -4.894 1.00 0.00 C ATOM 814 CG PRO A 55 -1.254 -15.773 -3.941 1.00 0.00 C ATOM 815 CD PRO A 55 -0.578 -14.538 -4.535 1.00 0.00 C ATOM 0 HA PRO A 55 1.340 -16.925 -4.602 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -1.472 -16.941 -5.769 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -0.852 -17.863 -4.414 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -2.338 -15.665 -3.909 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -0.922 -15.964 -2.920 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -1.227 -14.047 -5.260 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -0.353 -13.804 -3.761 1.00 0.00 H new ATOM 823 N LYS A 56 0.386 -16.383 -7.704 1.00 0.00 N ATOM 824 CA LYS A 56 0.722 -16.654 -9.093 1.00 0.00 C ATOM 825 C LYS A 56 2.046 -15.953 -9.407 1.00 0.00 C ATOM 826 O LYS A 56 3.032 -16.681 -9.657 1.00 0.00 O ATOM 827 CB LYS A 56 -0.436 -16.183 -9.990 1.00 0.00 C ATOM 828 CG LYS A 56 -0.399 -16.723 -11.429 1.00 0.00 C ATOM 829 CD LYS A 56 0.705 -16.103 -12.298 1.00 0.00 C ATOM 830 CE LYS A 56 0.578 -16.512 -13.771 1.00 0.00 C ATOM 831 NZ LYS A 56 -0.600 -15.922 -14.379 1.00 0.00 N ATOM 832 OXT LYS A 56 2.052 -14.703 -9.385 1.00 0.00 O ATOM 0 H LYS A 56 -0.355 -15.691 -7.594 1.00 0.00 H new ATOM 0 HA LYS A 56 0.855 -17.720 -9.280 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -1.378 -16.481 -9.529 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -0.429 -15.094 -10.026 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -0.259 -17.804 -11.398 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -1.365 -16.540 -11.900 1.00 0.00 H new ATOM 0 HD2 LYS A 56 0.661 -15.017 -12.219 1.00 0.00 H new ATOM 0 HD3 LYS A 56 1.680 -16.411 -11.919 1.00 0.00 H new ATOM 0 HE2 LYS A 56 1.468 -16.198 -14.316 1.00 0.00 H new ATOM 0 HE3 LYS A 56 0.524 -17.598 -13.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -0.516 -15.968 -15.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -1.446 -16.446 -14.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -0.684 -14.929 -14.082 1.00 0.00 H new TER 845 LYS A 56