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 38 GLN : amide:sc= 0.251 X(o=0.51,f=0.043) USER MOD Set 1.2: A 41 ASN : amide:sc= 0.257 X(o=0.51,f=0.043) USER MOD Set 2.1: A 21 ASN : amide:sc= 0.0587 K(o=1.3,f=-3.9!) USER MOD Set 2.2: A 24 GLN : amide:sc= 0.0694 K(o=1.3,f=-0.2) USER MOD Set 2.3: A 53 GLN : amide:sc= 1.17 K(o=1.3,f=-0.2) USER MOD Set 3.1: A 9 ASN : amide:sc= 0.49 K(o=0.99,f=-0.44) USER MOD Set 3.2: A 13 GLN : amide:sc= 0.504 K(o=0.99,f=-0.44) USER MOD Set 4.1: A 2 GLN : amide:sc= 0.243 K(o=3,f=0.72) USER MOD Set 4.2: A 8 GLN : amide:sc= 1.29 K(o=3,f=0.31) USER MOD Set 4.3: A 12 TYR OH : rot 146:sc= 1.48 USER MOD Single : A 1 ALA N :NH3+ -102:sc= 0.0435 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= -0.0969 X(o=-0.097,f=-0.13) USER MOD Single : A 7 GLN : amide:sc= -1.77! X(o=-1.8!,f=-1.4) USER MOD Single : A 16 ASN : amide:sc= 0.852 K(o=0.85,f=0) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= 0.458 X(o=0.46,f=-0.0059) USER MOD Single : A 26 ASN : amide:sc= -0.105 K(o=-0.1,f=-0.8) USER MOD Single : A 30 GLN : amide:sc= -0.0898 X(o=-0.09,f=-0.09) USER MOD Single : A 31 SER OG : rot 73:sc= 0.861 USER MOD Single : A 33 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0566) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= 0.365 X(o=0.37,f=-0.082) USER MOD Single : A 48 LYS NZ :NH3+ 169:sc= -0.062 (180deg=-0.364) USER MOD Single : A 50 ASN : amide:sc= 0.673 K(o=0.67,f=-3.1!) USER MOD Single : A 52 SER OG : rot -5:sc= 0.531 USER MOD Single : A 56 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0511) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -7.526 12.862 0.946 1.00 0.00 N ATOM 2 CA ALA A 1 -8.908 13.324 1.172 1.00 0.00 C ATOM 3 C ALA A 1 -9.750 13.202 -0.095 1.00 0.00 C ATOM 4 O ALA A 1 -9.217 13.308 -1.196 1.00 0.00 O ATOM 5 CB ALA A 1 -8.919 14.765 1.685 1.00 0.00 C ATOM 0 H1 ALA A 1 -7.410 11.907 1.342 1.00 0.00 H new ATOM 0 H2 ALA A 1 -7.330 12.840 -0.075 1.00 0.00 H new ATOM 0 H3 ALA A 1 -6.862 13.513 1.412 1.00 0.00 H new ATOM 0 HA ALA A 1 -9.352 12.681 1.932 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -9.948 15.086 1.845 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -8.371 14.821 2.626 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -8.446 15.416 0.950 1.00 0.00 H new ATOM 13 N GLN A 2 -11.059 12.971 0.063 1.00 0.00 N ATOM 14 CA GLN A 2 -11.994 12.687 -1.023 1.00 0.00 C ATOM 15 C GLN A 2 -11.950 13.747 -2.129 1.00 0.00 C ATOM 16 O GLN A 2 -11.974 13.398 -3.307 1.00 0.00 O ATOM 17 CB GLN A 2 -13.414 12.513 -0.466 1.00 0.00 C ATOM 18 CG GLN A 2 -13.653 11.092 0.069 1.00 0.00 C ATOM 19 CD GLN A 2 -12.644 10.676 1.139 1.00 0.00 C ATOM 20 OE1 GLN A 2 -12.456 11.386 2.125 1.00 0.00 O ATOM 21 NE2 GLN A 2 -11.982 9.533 0.947 1.00 0.00 N ATOM 0 H GLN A 2 -11.506 12.978 0.980 1.00 0.00 H new ATOM 0 HA GLN A 2 -11.684 11.752 -1.489 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -13.580 13.234 0.334 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -14.140 12.732 -1.249 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -14.659 11.031 0.484 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -13.606 10.386 -0.760 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -12.166 8.971 0.116 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -11.293 9.222 1.631 1.00 0.00 H new ATOM 30 N HIS A 3 -11.877 15.031 -1.759 1.00 0.00 N ATOM 31 CA HIS A 3 -11.760 16.127 -2.714 1.00 0.00 C ATOM 32 C HIS A 3 -10.448 16.061 -3.507 1.00 0.00 C ATOM 33 O HIS A 3 -10.430 16.403 -4.688 1.00 0.00 O ATOM 34 CB HIS A 3 -11.936 17.474 -2.003 1.00 0.00 C ATOM 35 CG HIS A 3 -10.988 17.711 -0.855 1.00 0.00 C ATOM 36 ND1 HIS A 3 -9.727 18.261 -1.023 1.00 0.00 N ATOM 37 CD2 HIS A 3 -11.115 17.504 0.498 1.00 0.00 C ATOM 38 CE1 HIS A 3 -9.174 18.370 0.197 1.00 0.00 C ATOM 39 NE2 HIS A 3 -9.971 17.921 1.169 1.00 0.00 N ATOM 0 H HIS A 3 -11.898 15.335 -0.785 1.00 0.00 H new ATOM 0 HA HIS A 3 -12.562 16.025 -3.445 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -11.808 18.274 -2.733 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -12.959 17.542 -1.632 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -11.985 17.076 0.975 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -8.189 18.778 0.372 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -9.784 17.891 2.171 1.00 0.00 H new ATOM 47 N ASP A 4 -9.357 15.611 -2.872 1.00 0.00 N ATOM 48 CA ASP A 4 -8.079 15.377 -3.532 1.00 0.00 C ATOM 49 C ASP A 4 -8.140 14.019 -4.232 1.00 0.00 C ATOM 50 O ASP A 4 -7.647 13.023 -3.704 1.00 0.00 O ATOM 51 CB ASP A 4 -6.932 15.439 -2.512 1.00 0.00 C ATOM 52 CG ASP A 4 -6.827 16.790 -1.809 1.00 0.00 C ATOM 53 OD1 ASP A 4 -7.066 17.816 -2.482 1.00 0.00 O ATOM 54 OD2 ASP A 4 -6.505 16.772 -0.601 1.00 0.00 O ATOM 0 H ASP A 4 -9.344 15.399 -1.874 1.00 0.00 H new ATOM 0 HA ASP A 4 -7.887 16.151 -4.275 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -7.075 14.658 -1.765 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -5.991 15.226 -3.019 1.00 0.00 H new ATOM 59 N GLU A 5 -8.756 13.998 -5.421 1.00 0.00 N ATOM 60 CA GLU A 5 -9.059 12.803 -6.204 1.00 0.00 C ATOM 61 C GLU A 5 -7.853 11.871 -6.355 1.00 0.00 C ATOM 62 O GLU A 5 -7.997 10.654 -6.249 1.00 0.00 O ATOM 63 CB GLU A 5 -9.594 13.196 -7.590 1.00 0.00 C ATOM 64 CG GLU A 5 -10.814 14.130 -7.555 1.00 0.00 C ATOM 65 CD GLU A 5 -11.968 13.593 -6.711 1.00 0.00 C ATOM 66 OE1 GLU A 5 -12.231 12.373 -6.801 1.00 0.00 O ATOM 67 OE2 GLU A 5 -12.576 14.418 -5.995 1.00 0.00 O ATOM 0 H GLU A 5 -9.069 14.854 -5.880 1.00 0.00 H new ATOM 0 HA GLU A 5 -9.823 12.253 -5.655 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -8.795 13.682 -8.151 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -9.860 12.290 -8.134 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -10.508 15.100 -7.163 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -11.165 14.294 -8.574 1.00 0.00 H new ATOM 74 N ALA A 6 -6.669 12.441 -6.600 1.00 0.00 N ATOM 75 CA ALA A 6 -5.432 11.688 -6.741 1.00 0.00 C ATOM 76 C ALA A 6 -5.057 10.977 -5.438 1.00 0.00 C ATOM 77 O ALA A 6 -4.736 9.790 -5.453 1.00 0.00 O ATOM 78 CB ALA A 6 -4.311 12.630 -7.188 1.00 0.00 C ATOM 0 H ALA A 6 -6.548 13.448 -6.706 1.00 0.00 H new ATOM 0 HA ALA A 6 -5.578 10.917 -7.498 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -3.384 12.067 -7.294 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -4.574 13.080 -8.145 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -4.176 13.414 -6.443 1.00 0.00 H new ATOM 84 N GLN A 7 -5.091 11.703 -4.314 1.00 0.00 N ATOM 85 CA GLN A 7 -4.655 11.202 -3.019 1.00 0.00 C ATOM 86 C GLN A 7 -5.584 10.095 -2.518 1.00 0.00 C ATOM 87 O GLN A 7 -5.120 9.014 -2.159 1.00 0.00 O ATOM 88 CB GLN A 7 -4.572 12.370 -2.024 1.00 0.00 C ATOM 89 CG GLN A 7 -4.131 11.949 -0.615 1.00 0.00 C ATOM 90 CD GLN A 7 -2.756 11.287 -0.609 1.00 0.00 C ATOM 91 OE1 GLN A 7 -1.747 11.948 -0.377 1.00 0.00 O ATOM 92 NE2 GLN A 7 -2.712 9.978 -0.864 1.00 0.00 N ATOM 0 H GLN A 7 -5.427 12.666 -4.285 1.00 0.00 H new ATOM 0 HA GLN A 7 -3.664 10.760 -3.118 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -3.873 13.113 -2.407 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -5.547 12.852 -1.961 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -4.112 12.825 0.034 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -4.865 11.259 -0.198 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -3.574 9.466 -1.052 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -1.817 9.490 -0.871 1.00 0.00 H new ATOM 101 N GLN A 8 -6.893 10.364 -2.492 1.00 0.00 N ATOM 102 CA GLN A 8 -7.886 9.376 -2.096 1.00 0.00 C ATOM 103 C GLN A 8 -7.830 8.137 -2.990 1.00 0.00 C ATOM 104 O GLN A 8 -7.923 7.024 -2.478 1.00 0.00 O ATOM 105 CB GLN A 8 -9.284 9.997 -2.015 1.00 0.00 C ATOM 106 CG GLN A 8 -9.741 10.669 -3.317 1.00 0.00 C ATOM 107 CD GLN A 8 -10.831 9.891 -4.044 1.00 0.00 C ATOM 108 OE1 GLN A 8 -11.932 9.726 -3.522 1.00 0.00 O ATOM 109 NE2 GLN A 8 -10.534 9.417 -5.256 1.00 0.00 N ATOM 0 H GLN A 8 -7.287 11.270 -2.745 1.00 0.00 H new ATOM 0 HA GLN A 8 -7.643 9.033 -1.090 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -10.001 9.221 -1.747 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -9.298 10.735 -1.212 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -10.107 11.671 -3.092 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -8.883 10.785 -3.979 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -9.608 9.576 -5.653 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -11.233 8.896 -5.785 1.00 0.00 H new ATOM 118 N ASN A 9 -7.646 8.312 -4.307 1.00 0.00 N ATOM 119 CA ASN A 9 -7.468 7.182 -5.206 1.00 0.00 C ATOM 120 C ASN A 9 -6.243 6.366 -4.799 1.00 0.00 C ATOM 121 O ASN A 9 -6.352 5.152 -4.674 1.00 0.00 O ATOM 122 CB ASN A 9 -7.375 7.627 -6.668 1.00 0.00 C ATOM 123 CG ASN A 9 -7.254 6.413 -7.588 1.00 0.00 C ATOM 124 OD1 ASN A 9 -6.163 6.066 -8.033 1.00 0.00 O ATOM 125 ND2 ASN A 9 -8.380 5.754 -7.870 1.00 0.00 N ATOM 0 H ASN A 9 -7.618 9.224 -4.763 1.00 0.00 H new ATOM 0 HA ASN A 9 -8.350 6.547 -5.122 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -8.258 8.207 -6.935 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -6.513 8.280 -6.802 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -8.352 4.932 -8.474 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -9.268 6.072 -7.482 1.00 0.00 H new ATOM 132 N ALA A 10 -5.092 7.018 -4.582 1.00 0.00 N ATOM 133 CA ALA A 10 -3.855 6.352 -4.188 1.00 0.00 C ATOM 134 C ALA A 10 -4.050 5.493 -2.936 1.00 0.00 C ATOM 135 O ALA A 10 -3.580 4.357 -2.901 1.00 0.00 O ATOM 136 CB ALA A 10 -2.736 7.378 -3.994 1.00 0.00 C ATOM 0 H ALA A 10 -4.999 8.029 -4.677 1.00 0.00 H new ATOM 0 HA ALA A 10 -3.564 5.677 -4.993 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -1.820 6.866 -3.700 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -2.568 7.915 -4.928 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -3.022 8.085 -3.215 1.00 0.00 H new ATOM 142 N PHE A 11 -4.757 6.014 -1.923 1.00 0.00 N ATOM 143 CA PHE A 11 -5.117 5.229 -0.748 1.00 0.00 C ATOM 144 C PHE A 11 -5.921 3.989 -1.152 1.00 0.00 C ATOM 145 O PHE A 11 -5.617 2.888 -0.695 1.00 0.00 O ATOM 146 CB PHE A 11 -5.913 6.069 0.262 1.00 0.00 C ATOM 147 CG PHE A 11 -5.250 7.318 0.824 1.00 0.00 C ATOM 148 CD1 PHE A 11 -3.869 7.351 1.109 1.00 0.00 C ATOM 149 CD2 PHE A 11 -6.067 8.382 1.255 1.00 0.00 C ATOM 150 CE1 PHE A 11 -3.314 8.448 1.792 1.00 0.00 C ATOM 151 CE2 PHE A 11 -5.507 9.488 1.916 1.00 0.00 C ATOM 152 CZ PHE A 11 -4.129 9.522 2.184 1.00 0.00 C ATOM 0 H PHE A 11 -5.088 6.978 -1.900 1.00 0.00 H new ATOM 0 HA PHE A 11 -4.192 4.908 -0.269 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -6.846 6.370 -0.214 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -6.177 5.424 1.100 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -3.236 6.532 0.802 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -7.131 8.347 1.076 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -2.258 8.464 2.016 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -6.136 10.312 2.218 1.00 0.00 H new ATOM 0 HZ PHE A 11 -3.697 10.372 2.691 1.00 0.00 H new ATOM 162 N TYR A 12 -6.938 4.162 -2.008 1.00 0.00 N ATOM 163 CA TYR A 12 -7.779 3.062 -2.465 1.00 0.00 C ATOM 164 C TYR A 12 -6.960 1.989 -3.183 1.00 0.00 C ATOM 165 O TYR A 12 -7.199 0.808 -2.953 1.00 0.00 O ATOM 166 CB TYR A 12 -8.925 3.550 -3.363 1.00 0.00 C ATOM 167 CG TYR A 12 -9.811 4.662 -2.827 1.00 0.00 C ATOM 168 CD1 TYR A 12 -9.953 4.900 -1.444 1.00 0.00 C ATOM 169 CD2 TYR A 12 -10.530 5.451 -3.742 1.00 0.00 C ATOM 170 CE1 TYR A 12 -10.766 5.954 -0.989 1.00 0.00 C ATOM 171 CE2 TYR A 12 -11.353 6.494 -3.287 1.00 0.00 C ATOM 172 CZ TYR A 12 -11.456 6.759 -1.910 1.00 0.00 C ATOM 173 OH TYR A 12 -12.224 7.797 -1.468 1.00 0.00 O ATOM 0 H TYR A 12 -7.195 5.069 -2.399 1.00 0.00 H new ATOM 0 HA TYR A 12 -8.220 2.616 -1.573 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -8.494 3.888 -4.305 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -9.560 2.695 -3.592 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -9.437 4.272 -0.733 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -10.449 5.254 -4.801 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -10.860 6.144 0.070 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -11.907 7.093 -3.995 1.00 0.00 H new ATOM 0 HH TYR A 12 -12.185 8.532 -2.115 1.00 0.00 H new ATOM 183 N GLN A 13 -5.997 2.376 -4.033 1.00 0.00 N ATOM 184 CA GLN A 13 -5.117 1.422 -4.703 1.00 0.00 C ATOM 185 C GLN A 13 -4.452 0.509 -3.670 1.00 0.00 C ATOM 186 O GLN A 13 -4.524 -0.712 -3.792 1.00 0.00 O ATOM 187 CB GLN A 13 -4.037 2.120 -5.549 1.00 0.00 C ATOM 188 CG GLN A 13 -4.551 3.025 -6.677 1.00 0.00 C ATOM 189 CD GLN A 13 -5.406 2.310 -7.721 1.00 0.00 C ATOM 190 OE1 GLN A 13 -5.351 1.091 -7.865 1.00 0.00 O ATOM 191 NE2 GLN A 13 -6.201 3.081 -8.466 1.00 0.00 N ATOM 0 H GLN A 13 -5.812 3.351 -4.270 1.00 0.00 H new ATOM 0 HA GLN A 13 -5.735 0.831 -5.379 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -3.413 2.718 -4.885 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -3.395 1.355 -5.987 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -5.136 3.834 -6.239 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -3.697 3.483 -7.176 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -6.219 4.090 -8.316 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -6.791 2.661 -9.185 1.00 0.00 H new ATOM 200 N VAL A 14 -3.824 1.106 -2.649 1.00 0.00 N ATOM 201 CA VAL A 14 -3.137 0.373 -1.595 1.00 0.00 C ATOM 202 C VAL A 14 -4.096 -0.562 -0.844 1.00 0.00 C ATOM 203 O VAL A 14 -3.706 -1.679 -0.510 1.00 0.00 O ATOM 204 CB VAL A 14 -2.382 1.343 -0.667 1.00 0.00 C ATOM 205 CG1 VAL A 14 -1.710 0.588 0.484 1.00 0.00 C ATOM 206 CG2 VAL A 14 -1.282 2.087 -1.436 1.00 0.00 C ATOM 0 H VAL A 14 -3.782 2.119 -2.537 1.00 0.00 H new ATOM 0 HA VAL A 14 -2.388 -0.275 -2.050 1.00 0.00 H new ATOM 0 HB VAL A 14 -3.117 2.048 -0.278 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -1.184 1.295 1.125 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -2.468 0.064 1.067 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -1.000 -0.134 0.080 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -0.762 2.767 -0.761 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.572 1.367 -1.844 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -1.729 2.657 -2.251 1.00 0.00 H new ATOM 216 N LEU A 15 -5.344 -0.138 -0.594 1.00 0.00 N ATOM 217 CA LEU A 15 -6.353 -1.017 -0.006 1.00 0.00 C ATOM 218 C LEU A 15 -6.660 -2.206 -0.925 1.00 0.00 C ATOM 219 O LEU A 15 -6.725 -3.341 -0.456 1.00 0.00 O ATOM 220 CB LEU A 15 -7.650 -0.257 0.317 1.00 0.00 C ATOM 221 CG LEU A 15 -7.519 0.783 1.442 1.00 0.00 C ATOM 222 CD1 LEU A 15 -8.837 1.556 1.566 1.00 0.00 C ATOM 223 CD2 LEU A 15 -7.198 0.134 2.797 1.00 0.00 C ATOM 0 H LEU A 15 -5.673 0.807 -0.791 1.00 0.00 H new ATOM 0 HA LEU A 15 -5.936 -1.395 0.928 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -7.996 0.246 -0.586 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -8.419 -0.978 0.594 1.00 0.00 H new ATOM 0 HG LEU A 15 -6.695 1.448 1.183 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -8.752 2.296 2.362 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -9.053 2.060 0.624 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -9.645 0.863 1.800 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -7.115 0.908 3.560 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -7.996 -0.558 3.067 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -6.255 -0.409 2.726 1.00 0.00 H new ATOM 235 N ASN A 16 -6.861 -1.943 -2.223 1.00 0.00 N ATOM 236 CA ASN A 16 -7.292 -2.933 -3.203 1.00 0.00 C ATOM 237 C ASN A 16 -6.258 -4.041 -3.414 1.00 0.00 C ATOM 238 O ASN A 16 -6.660 -5.197 -3.518 1.00 0.00 O ATOM 239 CB ASN A 16 -7.654 -2.260 -4.536 1.00 0.00 C ATOM 240 CG ASN A 16 -9.103 -1.774 -4.563 1.00 0.00 C ATOM 241 OD1 ASN A 16 -9.929 -2.327 -5.284 1.00 0.00 O ATOM 242 ND2 ASN A 16 -9.425 -0.742 -3.781 1.00 0.00 N ATOM 0 H ASN A 16 -6.724 -1.015 -2.623 1.00 0.00 H new ATOM 0 HA ASN A 16 -8.185 -3.410 -2.798 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -6.986 -1.416 -4.708 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -7.494 -2.965 -5.352 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -10.382 -0.390 -3.770 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -8.714 -0.306 -3.194 1.00 0.00 H new ATOM 249 N MET A 17 -4.962 -3.691 -3.487 1.00 0.00 N ATOM 250 CA MET A 17 -3.828 -4.603 -3.682 1.00 0.00 C ATOM 251 C MET A 17 -4.014 -5.926 -2.909 1.00 0.00 C ATOM 252 O MET A 17 -3.787 -5.952 -1.700 1.00 0.00 O ATOM 253 CB MET A 17 -2.539 -3.888 -3.258 1.00 0.00 C ATOM 254 CG MET A 17 -2.032 -2.945 -4.354 1.00 0.00 C ATOM 255 SD MET A 17 -0.628 -1.919 -3.851 1.00 0.00 S ATOM 256 CE MET A 17 -0.611 -0.730 -5.213 1.00 0.00 C ATOM 0 H MET A 17 -4.666 -2.718 -3.408 1.00 0.00 H new ATOM 0 HA MET A 17 -3.767 -4.870 -4.737 1.00 0.00 H new ATOM 0 HB2 MET A 17 -2.720 -3.322 -2.344 1.00 0.00 H new ATOM 0 HB3 MET A 17 -1.771 -4.627 -3.028 1.00 0.00 H new ATOM 0 HG2 MET A 17 -1.744 -3.536 -5.223 1.00 0.00 H new ATOM 0 HG3 MET A 17 -2.850 -2.296 -4.667 1.00 0.00 H new ATOM 0 HE1 MET A 17 0.200 -0.017 -5.063 1.00 0.00 H new ATOM 0 HE2 MET A 17 -0.461 -1.258 -6.155 1.00 0.00 H new ATOM 0 HE3 MET A 17 -1.562 -0.198 -5.243 1.00 0.00 H new ATOM 266 N PRO A 18 -4.433 -7.016 -3.586 1.00 0.00 N ATOM 267 CA PRO A 18 -4.869 -8.265 -2.963 1.00 0.00 C ATOM 268 C PRO A 18 -3.891 -8.916 -1.986 1.00 0.00 C ATOM 269 O PRO A 18 -4.325 -9.519 -1.006 1.00 0.00 O ATOM 270 CB PRO A 18 -5.161 -9.226 -4.119 1.00 0.00 C ATOM 271 CG PRO A 18 -5.591 -8.289 -5.239 1.00 0.00 C ATOM 272 CD PRO A 18 -4.683 -7.081 -5.022 1.00 0.00 C ATOM 0 HA PRO A 18 -5.732 -8.035 -2.338 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -4.281 -9.807 -4.394 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -5.946 -9.938 -3.864 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -5.444 -8.736 -6.222 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -6.645 -8.023 -5.164 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -3.750 -7.190 -5.575 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -5.159 -6.167 -5.377 1.00 0.00 H new ATOM 280 N ASN A 19 -2.584 -8.817 -2.250 1.00 0.00 N ATOM 281 CA ASN A 19 -1.579 -9.589 -1.529 1.00 0.00 C ATOM 282 C ASN A 19 -1.084 -8.872 -0.273 1.00 0.00 C ATOM 283 O ASN A 19 -0.432 -9.503 0.558 1.00 0.00 O ATOM 284 CB ASN A 19 -0.407 -9.908 -2.465 1.00 0.00 C ATOM 285 CG ASN A 19 -0.870 -10.546 -3.774 1.00 0.00 C ATOM 286 OD1 ASN A 19 -1.671 -11.478 -3.769 1.00 0.00 O ATOM 287 ND2 ASN A 19 -0.374 -10.043 -4.906 1.00 0.00 N ATOM 0 H ASN A 19 -2.199 -8.201 -2.967 1.00 0.00 H new ATOM 0 HA ASN A 19 -2.047 -10.516 -1.197 1.00 0.00 H new ATOM 0 HB2 ASN A 19 0.141 -8.991 -2.684 1.00 0.00 H new ATOM 0 HB3 ASN A 19 0.286 -10.581 -1.960 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -0.658 -10.433 -5.805 1.00 0.00 H new ATOM 0 HD22 ASN A 19 0.289 -9.269 -4.873 1.00 0.00 H new ATOM 294 N LEU A 20 -1.392 -7.577 -0.110 1.00 0.00 N ATOM 295 CA LEU A 20 -1.039 -6.848 1.098 1.00 0.00 C ATOM 296 C LEU A 20 -1.997 -7.218 2.227 1.00 0.00 C ATOM 297 O LEU A 20 -3.205 -7.308 2.013 1.00 0.00 O ATOM 298 CB LEU A 20 -1.082 -5.334 0.866 1.00 0.00 C ATOM 299 CG LEU A 20 -0.192 -4.843 -0.283 1.00 0.00 C ATOM 300 CD1 LEU A 20 -0.279 -3.316 -0.359 1.00 0.00 C ATOM 301 CD2 LEU A 20 1.275 -5.235 -0.091 1.00 0.00 C ATOM 0 H LEU A 20 -1.886 -7.019 -0.807 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.021 -7.125 1.372 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.112 -5.039 0.663 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -0.781 -4.829 1.784 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.550 -5.311 -1.200 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.350 -2.956 -1.173 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.312 -3.019 -0.540 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.063 -2.885 0.582 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.863 -4.865 -0.930 1.00 0.00 H new ATOM 0 HD22 LEU A 20 1.650 -4.799 0.835 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.358 -6.321 -0.041 1.00 0.00 H new ATOM 313 N ASN A 21 -1.450 -7.405 3.433 1.00 0.00 N ATOM 314 CA ASN A 21 -2.232 -7.597 4.647 1.00 0.00 C ATOM 315 C ASN A 21 -2.522 -6.238 5.288 1.00 0.00 C ATOM 316 O ASN A 21 -2.011 -5.213 4.837 1.00 0.00 O ATOM 317 CB ASN A 21 -1.495 -8.543 5.607 1.00 0.00 C ATOM 318 CG ASN A 21 -0.121 -8.018 6.022 1.00 0.00 C ATOM 319 OD1 ASN A 21 -0.014 -6.967 6.648 1.00 0.00 O ATOM 320 ND2 ASN A 21 0.937 -8.752 5.672 1.00 0.00 N ATOM 0 H ASN A 21 -0.442 -7.427 3.589 1.00 0.00 H new ATOM 0 HA ASN A 21 -3.187 -8.063 4.404 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -2.104 -8.695 6.498 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -1.378 -9.516 5.131 1.00 0.00 H new ATOM 0 HD21 ASN A 21 1.876 -8.445 5.925 1.00 0.00 H new ATOM 0 HD22 ASN A 21 0.806 -9.620 5.152 1.00 0.00 H new ATOM 327 N ALA A 22 -3.348 -6.244 6.342 1.00 0.00 N ATOM 328 CA ALA A 22 -3.785 -5.052 7.055 1.00 0.00 C ATOM 329 C ALA A 22 -2.605 -4.174 7.472 1.00 0.00 C ATOM 330 O ALA A 22 -2.577 -2.991 7.144 1.00 0.00 O ATOM 331 CB ALA A 22 -4.619 -5.462 8.272 1.00 0.00 C ATOM 0 H ALA A 22 -3.737 -7.104 6.727 1.00 0.00 H new ATOM 0 HA ALA A 22 -4.400 -4.455 6.381 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -4.946 -4.570 8.806 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -5.490 -6.028 7.942 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -4.015 -6.081 8.935 1.00 0.00 H new ATOM 337 N ASP A 23 -1.634 -4.751 8.189 1.00 0.00 N ATOM 338 CA ASP A 23 -0.484 -4.029 8.719 1.00 0.00 C ATOM 339 C ASP A 23 0.282 -3.312 7.606 1.00 0.00 C ATOM 340 O ASP A 23 0.582 -2.126 7.729 1.00 0.00 O ATOM 341 CB ASP A 23 0.437 -4.991 9.481 1.00 0.00 C ATOM 342 CG ASP A 23 -0.303 -5.722 10.599 1.00 0.00 C ATOM 343 OD1 ASP A 23 -0.908 -6.771 10.287 1.00 0.00 O ATOM 344 OD2 ASP A 23 -0.255 -5.216 11.741 1.00 0.00 O ATOM 0 H ASP A 23 -1.630 -5.745 8.417 1.00 0.00 H new ATOM 0 HA ASP A 23 -0.847 -3.269 9.411 1.00 0.00 H new ATOM 0 HB2 ASP A 23 0.856 -5.719 8.786 1.00 0.00 H new ATOM 0 HB3 ASP A 23 1.274 -4.435 9.903 1.00 0.00 H new ATOM 349 N GLN A 24 0.589 -4.033 6.522 1.00 0.00 N ATOM 350 CA GLN A 24 1.333 -3.513 5.384 1.00 0.00 C ATOM 351 C GLN A 24 0.581 -2.367 4.705 1.00 0.00 C ATOM 352 O GLN A 24 1.121 -1.269 4.579 1.00 0.00 O ATOM 353 CB GLN A 24 1.599 -4.643 4.384 1.00 0.00 C ATOM 354 CG GLN A 24 2.638 -5.639 4.919 1.00 0.00 C ATOM 355 CD GLN A 24 2.829 -6.864 4.022 1.00 0.00 C ATOM 356 OE1 GLN A 24 3.541 -7.794 4.393 1.00 0.00 O ATOM 357 NE2 GLN A 24 2.207 -6.888 2.843 1.00 0.00 N ATOM 0 H GLN A 24 0.320 -5.011 6.415 1.00 0.00 H new ATOM 0 HA GLN A 24 2.283 -3.117 5.744 1.00 0.00 H new ATOM 0 HB2 GLN A 24 0.668 -5.168 4.171 1.00 0.00 H new ATOM 0 HB3 GLN A 24 1.950 -4.221 3.442 1.00 0.00 H new ATOM 0 HG2 GLN A 24 3.594 -5.128 5.032 1.00 0.00 H new ATOM 0 HG3 GLN A 24 2.334 -5.970 5.912 1.00 0.00 H new ATOM 0 HE21 GLN A 24 1.622 -6.102 2.559 1.00 0.00 H new ATOM 0 HE22 GLN A 24 2.317 -7.692 2.225 1.00 0.00 H new ATOM 366 N ARG A 25 -0.654 -2.627 4.254 1.00 0.00 N ATOM 367 CA ARG A 25 -1.418 -1.664 3.473 1.00 0.00 C ATOM 368 C ARG A 25 -1.720 -0.407 4.293 1.00 0.00 C ATOM 369 O ARG A 25 -1.510 0.702 3.805 1.00 0.00 O ATOM 370 CB ARG A 25 -2.663 -2.322 2.857 1.00 0.00 C ATOM 371 CG ARG A 25 -3.812 -2.567 3.837 1.00 0.00 C ATOM 372 CD ARG A 25 -4.871 -3.459 3.188 1.00 0.00 C ATOM 373 NE ARG A 25 -6.074 -3.523 4.025 1.00 0.00 N ATOM 374 CZ ARG A 25 -7.320 -3.779 3.592 1.00 0.00 C ATOM 375 NH1 ARG A 25 -7.579 -4.012 2.297 1.00 0.00 N ATOM 376 NH2 ARG A 25 -8.326 -3.801 4.475 1.00 0.00 N ATOM 0 H ARG A 25 -1.142 -3.506 4.423 1.00 0.00 H new ATOM 0 HA ARG A 25 -0.813 -1.328 2.631 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -3.025 -1.692 2.045 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -2.372 -3.275 2.415 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -3.433 -3.039 4.744 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -4.257 -1.617 4.134 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -5.127 -3.071 2.202 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -4.470 -4.462 3.041 1.00 0.00 H new ATOM 0 HE ARG A 25 -5.954 -3.359 5.024 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -6.821 -3.997 1.615 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -8.534 -4.204 1.994 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -8.142 -3.625 5.463 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -9.277 -3.994 4.160 1.00 0.00 H new ATOM 390 N ASN A 26 -2.181 -0.572 5.540 1.00 0.00 N ATOM 391 CA ASN A 26 -2.446 0.540 6.445 1.00 0.00 C ATOM 392 C ASN A 26 -1.158 1.314 6.721 1.00 0.00 C ATOM 393 O ASN A 26 -1.174 2.543 6.723 1.00 0.00 O ATOM 394 CB ASN A 26 -3.070 0.040 7.756 1.00 0.00 C ATOM 395 CG ASN A 26 -4.419 -0.654 7.557 1.00 0.00 C ATOM 396 OD1 ASN A 26 -5.064 -0.512 6.520 1.00 0.00 O ATOM 397 ND2 ASN A 26 -4.853 -1.418 8.561 1.00 0.00 N ATOM 0 H ASN A 26 -2.379 -1.487 5.945 1.00 0.00 H new ATOM 0 HA ASN A 26 -3.160 1.211 5.968 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -2.380 -0.653 8.238 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -3.200 0.884 8.434 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -5.745 -1.906 8.482 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -4.293 -1.514 9.408 1.00 0.00 H new ATOM 404 N GLY A 27 -0.046 0.599 6.935 1.00 0.00 N ATOM 405 CA GLY A 27 1.271 1.183 7.127 1.00 0.00 C ATOM 406 C GLY A 27 1.612 2.157 6.001 1.00 0.00 C ATOM 407 O GLY A 27 1.913 3.320 6.265 1.00 0.00 O ATOM 0 H GLY A 27 -0.045 -0.420 6.979 1.00 0.00 H new ATOM 0 HA2 GLY A 27 1.305 1.703 8.084 1.00 0.00 H new ATOM 0 HA3 GLY A 27 2.020 0.392 7.167 1.00 0.00 H new ATOM 411 N PHE A 28 1.551 1.688 4.748 1.00 0.00 N ATOM 412 CA PHE A 28 1.830 2.528 3.592 1.00 0.00 C ATOM 413 C PHE A 28 0.829 3.678 3.467 1.00 0.00 C ATOM 414 O PHE A 28 1.242 4.788 3.152 1.00 0.00 O ATOM 415 CB PHE A 28 1.892 1.701 2.301 1.00 0.00 C ATOM 416 CG PHE A 28 3.055 0.729 2.188 1.00 0.00 C ATOM 417 CD1 PHE A 28 4.375 1.162 2.428 1.00 0.00 C ATOM 418 CD2 PHE A 28 2.834 -0.570 1.691 1.00 0.00 C ATOM 419 CE1 PHE A 28 5.455 0.284 2.242 1.00 0.00 C ATOM 420 CE2 PHE A 28 3.920 -1.444 1.493 1.00 0.00 C ATOM 421 CZ PHE A 28 5.229 -1.019 1.772 1.00 0.00 C ATOM 0 H PHE A 28 1.309 0.725 4.516 1.00 0.00 H new ATOM 0 HA PHE A 28 2.813 2.972 3.749 1.00 0.00 H new ATOM 0 HB2 PHE A 28 0.963 1.138 2.209 1.00 0.00 H new ATOM 0 HB3 PHE A 28 1.934 2.387 1.455 1.00 0.00 H new ATOM 0 HD1 PHE A 28 4.557 2.175 2.757 1.00 0.00 H new ATOM 0 HD2 PHE A 28 1.830 -0.896 1.461 1.00 0.00 H new ATOM 0 HE1 PHE A 28 6.461 0.612 2.461 1.00 0.00 H new ATOM 0 HE2 PHE A 28 3.746 -2.444 1.125 1.00 0.00 H new ATOM 0 HZ PHE A 28 6.060 -1.693 1.625 1.00 0.00 H new ATOM 431 N ILE A 29 -0.466 3.450 3.715 1.00 0.00 N ATOM 432 CA ILE A 29 -1.473 4.510 3.662 1.00 0.00 C ATOM 433 C ILE A 29 -1.111 5.644 4.627 1.00 0.00 C ATOM 434 O ILE A 29 -1.150 6.808 4.234 1.00 0.00 O ATOM 435 CB ILE A 29 -2.878 3.929 3.914 1.00 0.00 C ATOM 436 CG1 ILE A 29 -3.309 3.145 2.664 1.00 0.00 C ATOM 437 CG2 ILE A 29 -3.913 5.022 4.222 1.00 0.00 C ATOM 438 CD1 ILE A 29 -4.461 2.175 2.928 1.00 0.00 C ATOM 0 H ILE A 29 -0.841 2.532 3.956 1.00 0.00 H new ATOM 0 HA ILE A 29 -1.488 4.945 2.663 1.00 0.00 H new ATOM 0 HB ILE A 29 -2.830 3.278 4.787 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -3.606 3.849 1.886 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -2.454 2.588 2.280 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -4.887 4.563 4.392 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -3.609 5.570 5.114 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -3.978 5.709 3.379 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -4.716 1.654 2.005 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -4.160 1.449 3.683 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -5.329 2.730 3.284 1.00 0.00 H new ATOM 450 N GLN A 30 -0.747 5.315 5.872 1.00 0.00 N ATOM 451 CA GLN A 30 -0.333 6.299 6.864 1.00 0.00 C ATOM 452 C GLN A 30 0.971 6.990 6.458 1.00 0.00 C ATOM 453 O GLN A 30 1.092 8.201 6.629 1.00 0.00 O ATOM 454 CB GLN A 30 -0.207 5.643 8.246 1.00 0.00 C ATOM 455 CG GLN A 30 -1.555 5.176 8.813 1.00 0.00 C ATOM 456 CD GLN A 30 -2.515 6.338 9.064 1.00 0.00 C ATOM 457 OE1 GLN A 30 -2.410 7.026 10.076 1.00 0.00 O ATOM 458 NE2 GLN A 30 -3.457 6.562 8.144 1.00 0.00 N ATOM 0 H GLN A 30 -0.733 4.355 6.215 1.00 0.00 H new ATOM 0 HA GLN A 30 -1.102 7.069 6.918 1.00 0.00 H new ATOM 0 HB2 GLN A 30 0.467 4.789 8.177 1.00 0.00 H new ATOM 0 HB3 GLN A 30 0.246 6.352 8.939 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -2.014 4.472 8.119 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -1.387 4.639 9.746 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -3.513 5.969 7.316 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -4.121 7.326 8.269 1.00 0.00 H new ATOM 467 N SER A 31 1.941 6.242 5.917 1.00 0.00 N ATOM 468 CA SER A 31 3.203 6.804 5.446 1.00 0.00 C ATOM 469 C SER A 31 2.964 7.830 4.334 1.00 0.00 C ATOM 470 O SER A 31 3.559 8.904 4.346 1.00 0.00 O ATOM 471 CB SER A 31 4.138 5.690 4.964 1.00 0.00 C ATOM 472 OG SER A 31 4.377 4.758 5.997 1.00 0.00 O ATOM 0 H SER A 31 1.868 5.232 5.796 1.00 0.00 H new ATOM 0 HA SER A 31 3.680 7.318 6.280 1.00 0.00 H new ATOM 0 HB2 SER A 31 3.697 5.184 4.106 1.00 0.00 H new ATOM 0 HB3 SER A 31 5.082 6.120 4.630 1.00 0.00 H new ATOM 0 HG SER A 31 3.575 4.213 6.138 1.00 0.00 H new ATOM 478 N LEU A 32 2.088 7.497 3.380 1.00 0.00 N ATOM 479 CA LEU A 32 1.713 8.354 2.265 1.00 0.00 C ATOM 480 C LEU A 32 0.992 9.596 2.802 1.00 0.00 C ATOM 481 O LEU A 32 1.328 10.717 2.432 1.00 0.00 O ATOM 482 CB LEU A 32 0.832 7.548 1.294 1.00 0.00 C ATOM 483 CG LEU A 32 0.859 8.041 -0.160 1.00 0.00 C ATOM 484 CD1 LEU A 32 -0.148 7.228 -0.982 1.00 0.00 C ATOM 485 CD2 LEU A 32 0.561 9.536 -0.292 1.00 0.00 C ATOM 0 H LEU A 32 1.610 6.596 3.368 1.00 0.00 H new ATOM 0 HA LEU A 32 2.594 8.693 1.720 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.151 6.506 1.316 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.197 7.574 1.653 1.00 0.00 H new ATOM 0 HG LEU A 32 1.871 7.895 -0.538 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -0.135 7.572 -2.016 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.122 6.172 -0.947 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -1.147 7.361 -0.568 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.595 9.822 -1.343 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.430 9.746 0.109 1.00 0.00 H new ATOM 0 HD23 LEU A 32 1.306 10.106 0.264 1.00 0.00 H new ATOM 497 N LYS A 33 0.008 9.399 3.686 1.00 0.00 N ATOM 498 CA LYS A 33 -0.748 10.474 4.317 1.00 0.00 C ATOM 499 C LYS A 33 0.191 11.469 5.009 1.00 0.00 C ATOM 500 O LYS A 33 0.014 12.678 4.876 1.00 0.00 O ATOM 501 CB LYS A 33 -1.759 9.863 5.297 1.00 0.00 C ATOM 502 CG LYS A 33 -2.693 10.914 5.905 1.00 0.00 C ATOM 503 CD LYS A 33 -3.715 10.231 6.822 1.00 0.00 C ATOM 504 CE LYS A 33 -4.703 11.236 7.423 1.00 0.00 C ATOM 505 NZ LYS A 33 -4.036 12.196 8.319 1.00 0.00 N ATOM 0 H LYS A 33 -0.287 8.469 3.985 1.00 0.00 H new ATOM 0 HA LYS A 33 -1.293 11.036 3.559 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -2.353 9.110 4.779 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -1.222 9.352 6.096 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -2.115 11.645 6.470 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -3.208 11.458 5.113 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -4.263 9.477 6.257 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -3.192 9.711 7.625 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -5.204 11.777 6.620 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -5.475 10.700 7.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -4.751 12.792 8.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -3.495 11.679 9.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -3.390 12.796 7.767 1.00 0.00 H new ATOM 519 N ASP A 34 1.192 10.956 5.734 1.00 0.00 N ATOM 520 CA ASP A 34 2.201 11.757 6.411 1.00 0.00 C ATOM 521 C ASP A 34 3.103 12.483 5.407 1.00 0.00 C ATOM 522 O ASP A 34 3.396 13.662 5.593 1.00 0.00 O ATOM 523 CB ASP A 34 3.023 10.856 7.341 1.00 0.00 C ATOM 524 CG ASP A 34 4.029 11.665 8.155 1.00 0.00 C ATOM 525 OD1 ASP A 34 3.605 12.218 9.194 1.00 0.00 O ATOM 526 OD2 ASP A 34 5.202 11.720 7.726 1.00 0.00 O ATOM 0 H ASP A 34 1.320 9.953 5.865 1.00 0.00 H new ATOM 0 HA ASP A 34 1.703 12.524 7.004 1.00 0.00 H new ATOM 0 HB2 ASP A 34 2.355 10.320 8.015 1.00 0.00 H new ATOM 0 HB3 ASP A 34 3.550 10.106 6.751 1.00 0.00 H new ATOM 531 N ASP A 35 3.541 11.776 4.356 1.00 0.00 N ATOM 532 CA ASP A 35 4.448 12.273 3.329 1.00 0.00 C ATOM 533 C ASP A 35 3.728 12.315 1.976 1.00 0.00 C ATOM 534 O ASP A 35 3.971 11.447 1.138 1.00 0.00 O ATOM 535 CB ASP A 35 5.682 11.361 3.261 1.00 0.00 C ATOM 536 CG ASP A 35 6.443 11.321 4.582 1.00 0.00 C ATOM 537 OD1 ASP A 35 7.159 12.309 4.854 1.00 0.00 O ATOM 538 OD2 ASP A 35 6.300 10.302 5.293 1.00 0.00 O ATOM 0 H ASP A 35 3.259 10.808 4.198 1.00 0.00 H new ATOM 0 HA ASP A 35 4.770 13.285 3.577 1.00 0.00 H new ATOM 0 HB2 ASP A 35 5.371 10.351 2.992 1.00 0.00 H new ATOM 0 HB3 ASP A 35 6.347 11.711 2.471 1.00 0.00 H new ATOM 543 N PRO A 36 2.849 13.303 1.729 1.00 0.00 N ATOM 544 CA PRO A 36 2.104 13.411 0.479 1.00 0.00 C ATOM 545 C PRO A 36 3.040 13.627 -0.714 1.00 0.00 C ATOM 546 O PRO A 36 2.734 13.187 -1.820 1.00 0.00 O ATOM 547 CB PRO A 36 1.130 14.575 0.673 1.00 0.00 C ATOM 548 CG PRO A 36 1.822 15.444 1.720 1.00 0.00 C ATOM 549 CD PRO A 36 2.519 14.414 2.608 1.00 0.00 C ATOM 0 HA PRO A 36 1.565 12.491 0.252 1.00 0.00 H new ATOM 0 HB2 PRO A 36 0.965 15.120 -0.256 1.00 0.00 H new ATOM 0 HB3 PRO A 36 0.155 14.230 1.018 1.00 0.00 H new ATOM 0 HG2 PRO A 36 2.533 16.134 1.267 1.00 0.00 H new ATOM 0 HG3 PRO A 36 1.108 16.046 2.282 1.00 0.00 H new ATOM 0 HD2 PRO A 36 3.416 14.833 3.065 1.00 0.00 H new ATOM 0 HD3 PRO A 36 1.868 14.092 3.421 1.00 0.00 H new ATOM 557 N SER A 37 4.186 14.281 -0.484 1.00 0.00 N ATOM 558 CA SER A 37 5.260 14.413 -1.459 1.00 0.00 C ATOM 559 C SER A 37 5.704 13.047 -1.999 1.00 0.00 C ATOM 560 O SER A 37 5.965 12.916 -3.193 1.00 0.00 O ATOM 561 CB SER A 37 6.437 15.159 -0.819 1.00 0.00 C ATOM 562 OG SER A 37 6.882 14.500 0.351 1.00 0.00 O ATOM 0 H SER A 37 4.390 14.740 0.404 1.00 0.00 H new ATOM 0 HA SER A 37 4.890 14.985 -2.310 1.00 0.00 H new ATOM 0 HB2 SER A 37 7.257 15.232 -1.533 1.00 0.00 H new ATOM 0 HB3 SER A 37 6.136 16.178 -0.574 1.00 0.00 H new ATOM 0 HG SER A 37 7.634 14.994 0.739 1.00 0.00 H new ATOM 568 N GLN A 38 5.779 12.034 -1.125 1.00 0.00 N ATOM 569 CA GLN A 38 6.217 10.687 -1.466 1.00 0.00 C ATOM 570 C GLN A 38 5.032 9.815 -1.901 1.00 0.00 C ATOM 571 O GLN A 38 4.964 8.641 -1.541 1.00 0.00 O ATOM 572 CB GLN A 38 6.950 10.081 -0.260 1.00 0.00 C ATOM 573 CG GLN A 38 8.218 10.866 0.094 1.00 0.00 C ATOM 574 CD GLN A 38 9.011 10.145 1.181 1.00 0.00 C ATOM 575 OE1 GLN A 38 9.577 9.084 0.930 1.00 0.00 O ATOM 576 NE2 GLN A 38 9.057 10.711 2.389 1.00 0.00 N ATOM 0 H GLN A 38 5.530 12.138 -0.141 1.00 0.00 H new ATOM 0 HA GLN A 38 6.902 10.731 -2.312 1.00 0.00 H new ATOM 0 HB2 GLN A 38 6.281 10.065 0.600 1.00 0.00 H new ATOM 0 HB3 GLN A 38 7.213 9.046 -0.478 1.00 0.00 H new ATOM 0 HG2 GLN A 38 8.837 10.988 -0.795 1.00 0.00 H new ATOM 0 HG3 GLN A 38 7.950 11.866 0.435 1.00 0.00 H new ATOM 0 HE21 GLN A 38 8.573 11.593 2.558 1.00 0.00 H new ATOM 0 HE22 GLN A 38 9.576 10.261 3.143 1.00 0.00 H new ATOM 585 N SER A 39 4.102 10.374 -2.687 1.00 0.00 N ATOM 586 CA SER A 39 2.940 9.650 -3.179 1.00 0.00 C ATOM 587 C SER A 39 3.369 8.508 -4.099 1.00 0.00 C ATOM 588 O SER A 39 3.047 7.350 -3.839 1.00 0.00 O ATOM 589 CB SER A 39 1.968 10.617 -3.868 1.00 0.00 C ATOM 590 OG SER A 39 2.617 11.380 -4.864 1.00 0.00 O ATOM 0 H SER A 39 4.142 11.345 -2.996 1.00 0.00 H new ATOM 0 HA SER A 39 2.413 9.201 -2.337 1.00 0.00 H new ATOM 0 HB2 SER A 39 1.149 10.054 -4.315 1.00 0.00 H new ATOM 0 HB3 SER A 39 1.529 11.284 -3.126 1.00 0.00 H new ATOM 0 HG SER A 39 1.971 11.985 -5.285 1.00 0.00 H new ATOM 596 N ALA A 40 4.107 8.843 -5.163 1.00 0.00 N ATOM 597 CA ALA A 40 4.604 7.890 -6.144 1.00 0.00 C ATOM 598 C ALA A 40 5.504 6.841 -5.489 1.00 0.00 C ATOM 599 O ALA A 40 5.393 5.658 -5.802 1.00 0.00 O ATOM 600 CB ALA A 40 5.354 8.640 -7.247 1.00 0.00 C ATOM 0 H ALA A 40 4.377 9.806 -5.364 1.00 0.00 H new ATOM 0 HA ALA A 40 3.757 7.362 -6.583 1.00 0.00 H new ATOM 0 HB1 ALA A 40 5.727 7.927 -7.983 1.00 0.00 H new ATOM 0 HB2 ALA A 40 4.678 9.343 -7.733 1.00 0.00 H new ATOM 0 HB3 ALA A 40 6.192 9.184 -6.812 1.00 0.00 H new ATOM 606 N ASN A 41 6.390 7.276 -4.583 1.00 0.00 N ATOM 607 CA ASN A 41 7.319 6.401 -3.885 1.00 0.00 C ATOM 608 C ASN A 41 6.565 5.347 -3.073 1.00 0.00 C ATOM 609 O ASN A 41 6.750 4.157 -3.306 1.00 0.00 O ATOM 610 CB ASN A 41 8.248 7.235 -2.992 1.00 0.00 C ATOM 611 CG ASN A 41 9.215 6.367 -2.185 1.00 0.00 C ATOM 612 OD1 ASN A 41 9.631 5.303 -2.637 1.00 0.00 O ATOM 613 ND2 ASN A 41 9.580 6.815 -0.982 1.00 0.00 N ATOM 0 H ASN A 41 6.476 8.257 -4.317 1.00 0.00 H new ATOM 0 HA ASN A 41 7.929 5.873 -4.618 1.00 0.00 H new ATOM 0 HB2 ASN A 41 8.817 7.928 -3.612 1.00 0.00 H new ATOM 0 HB3 ASN A 41 7.648 7.836 -2.309 1.00 0.00 H new ATOM 0 HD21 ASN A 41 10.223 6.269 -0.408 1.00 0.00 H new ATOM 0 HD22 ASN A 41 9.216 7.703 -0.636 1.00 0.00 H new ATOM 620 N VAL A 42 5.721 5.777 -2.128 1.00 0.00 N ATOM 621 CA VAL A 42 5.014 4.874 -1.227 1.00 0.00 C ATOM 622 C VAL A 42 4.030 3.980 -1.989 1.00 0.00 C ATOM 623 O VAL A 42 3.907 2.799 -1.668 1.00 0.00 O ATOM 624 CB VAL A 42 4.347 5.674 -0.099 1.00 0.00 C ATOM 625 CG1 VAL A 42 3.485 4.770 0.785 1.00 0.00 C ATOM 626 CG2 VAL A 42 5.408 6.326 0.798 1.00 0.00 C ATOM 0 H VAL A 42 5.512 6.763 -1.970 1.00 0.00 H new ATOM 0 HA VAL A 42 5.733 4.198 -0.765 1.00 0.00 H new ATOM 0 HB VAL A 42 3.725 6.434 -0.572 1.00 0.00 H new ATOM 0 HG11 VAL A 42 3.026 5.364 1.575 1.00 0.00 H new ATOM 0 HG12 VAL A 42 2.706 4.306 0.180 1.00 0.00 H new ATOM 0 HG13 VAL A 42 4.109 3.995 1.230 1.00 0.00 H new ATOM 0 HG21 VAL A 42 4.917 6.889 1.592 1.00 0.00 H new ATOM 0 HG22 VAL A 42 6.038 5.553 1.238 1.00 0.00 H new ATOM 0 HG23 VAL A 42 6.024 7.000 0.202 1.00 0.00 H new ATOM 636 N LEU A 43 3.344 4.519 -3.006 1.00 0.00 N ATOM 637 CA LEU A 43 2.503 3.719 -3.889 1.00 0.00 C ATOM 638 C LEU A 43 3.349 2.652 -4.596 1.00 0.00 C ATOM 639 O LEU A 43 2.914 1.511 -4.733 1.00 0.00 O ATOM 640 CB LEU A 43 1.783 4.640 -4.885 1.00 0.00 C ATOM 641 CG LEU A 43 0.828 3.908 -5.844 1.00 0.00 C ATOM 642 CD1 LEU A 43 -0.316 3.205 -5.103 1.00 0.00 C ATOM 643 CD2 LEU A 43 0.234 4.925 -6.825 1.00 0.00 C ATOM 0 H LEU A 43 3.360 5.513 -3.234 1.00 0.00 H new ATOM 0 HA LEU A 43 1.743 3.197 -3.308 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.218 5.388 -4.328 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.529 5.176 -5.472 1.00 0.00 H new ATOM 0 HG LEU A 43 1.403 3.144 -6.367 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.962 2.703 -5.823 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.096 2.470 -4.411 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.896 3.941 -4.547 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.445 4.416 -7.510 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.313 5.688 -6.271 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.037 5.395 -7.393 1.00 0.00 H new ATOM 655 N GLY A 44 4.562 3.022 -5.026 1.00 0.00 N ATOM 656 CA GLY A 44 5.537 2.119 -5.614 1.00 0.00 C ATOM 657 C GLY A 44 5.921 0.996 -4.650 1.00 0.00 C ATOM 658 O GLY A 44 5.920 -0.168 -5.041 1.00 0.00 O ATOM 0 H GLY A 44 4.893 3.985 -4.969 1.00 0.00 H new ATOM 0 HA2 GLY A 44 5.130 1.690 -6.529 1.00 0.00 H new ATOM 0 HA3 GLY A 44 6.429 2.679 -5.894 1.00 0.00 H new ATOM 662 N GLU A 45 6.246 1.339 -3.395 1.00 0.00 N ATOM 663 CA GLU A 45 6.574 0.376 -2.348 1.00 0.00 C ATOM 664 C GLU A 45 5.433 -0.625 -2.171 1.00 0.00 C ATOM 665 O GLU A 45 5.671 -1.830 -2.143 1.00 0.00 O ATOM 666 CB GLU A 45 6.872 1.095 -1.027 1.00 0.00 C ATOM 667 CG GLU A 45 8.164 1.916 -1.089 1.00 0.00 C ATOM 668 CD GLU A 45 8.320 2.782 0.157 1.00 0.00 C ATOM 669 OE1 GLU A 45 8.475 2.188 1.246 1.00 0.00 O ATOM 670 OE2 GLU A 45 8.280 4.022 0.003 1.00 0.00 O ATOM 0 H GLU A 45 6.287 2.308 -3.080 1.00 0.00 H new ATOM 0 HA GLU A 45 7.469 -0.169 -2.648 1.00 0.00 H new ATOM 0 HB2 GLU A 45 6.039 1.752 -0.778 1.00 0.00 H new ATOM 0 HB3 GLU A 45 6.949 0.360 -0.226 1.00 0.00 H new ATOM 0 HG2 GLU A 45 9.020 1.248 -1.181 1.00 0.00 H new ATOM 0 HG3 GLU A 45 8.156 2.548 -1.977 1.00 0.00 H new ATOM 677 N ALA A 46 4.198 -0.121 -2.065 1.00 0.00 N ATOM 678 CA ALA A 46 3.004 -0.940 -1.940 1.00 0.00 C ATOM 679 C ALA A 46 2.846 -1.890 -3.129 1.00 0.00 C ATOM 680 O ALA A 46 2.611 -3.080 -2.932 1.00 0.00 O ATOM 681 CB ALA A 46 1.782 -0.036 -1.769 1.00 0.00 C ATOM 0 H ALA A 46 4.006 0.881 -2.064 1.00 0.00 H new ATOM 0 HA ALA A 46 3.099 -1.569 -1.055 1.00 0.00 H new ATOM 0 HB1 ALA A 46 0.886 -0.649 -1.675 1.00 0.00 H new ATOM 0 HB2 ALA A 46 1.901 0.571 -0.872 1.00 0.00 H new ATOM 0 HB3 ALA A 46 1.687 0.615 -2.638 1.00 0.00 H new ATOM 687 N GLN A 47 2.980 -1.372 -4.356 1.00 0.00 N ATOM 688 CA GLN A 47 2.821 -2.152 -5.575 1.00 0.00 C ATOM 689 C GLN A 47 3.875 -3.257 -5.674 1.00 0.00 C ATOM 690 O GLN A 47 3.540 -4.392 -6.006 1.00 0.00 O ATOM 691 CB GLN A 47 2.863 -1.222 -6.796 1.00 0.00 C ATOM 692 CG GLN A 47 2.665 -1.959 -8.129 1.00 0.00 C ATOM 693 CD GLN A 47 1.317 -2.676 -8.217 1.00 0.00 C ATOM 694 OE1 GLN A 47 0.339 -2.104 -8.692 1.00 0.00 O ATOM 695 NE2 GLN A 47 1.258 -3.931 -7.766 1.00 0.00 N ATOM 0 H GLN A 47 3.204 -0.391 -4.525 1.00 0.00 H new ATOM 0 HA GLN A 47 1.850 -2.646 -5.548 1.00 0.00 H new ATOM 0 HB2 GLN A 47 2.089 -0.461 -6.691 1.00 0.00 H new ATOM 0 HB3 GLN A 47 3.821 -0.702 -6.815 1.00 0.00 H new ATOM 0 HG2 GLN A 47 2.745 -1.245 -8.949 1.00 0.00 H new ATOM 0 HG3 GLN A 47 3.467 -2.686 -8.259 1.00 0.00 H new ATOM 0 HE21 GLN A 47 2.091 -4.373 -7.378 1.00 0.00 H new ATOM 0 HE22 GLN A 47 0.380 -4.448 -7.809 1.00 0.00 H new ATOM 704 N LYS A 48 5.142 -2.934 -5.396 1.00 0.00 N ATOM 705 CA LYS A 48 6.235 -3.893 -5.455 1.00 0.00 C ATOM 706 C LYS A 48 6.100 -4.950 -4.356 1.00 0.00 C ATOM 707 O LYS A 48 6.361 -6.125 -4.611 1.00 0.00 O ATOM 708 CB LYS A 48 7.587 -3.168 -5.394 1.00 0.00 C ATOM 709 CG LYS A 48 7.850 -2.422 -6.712 1.00 0.00 C ATOM 710 CD LYS A 48 9.247 -1.786 -6.786 1.00 0.00 C ATOM 711 CE LYS A 48 9.299 -0.338 -6.285 1.00 0.00 C ATOM 712 NZ LYS A 48 8.993 -0.227 -4.851 1.00 0.00 N ATOM 0 H LYS A 48 5.433 -1.995 -5.123 1.00 0.00 H new ATOM 0 HA LYS A 48 6.186 -4.419 -6.408 1.00 0.00 H new ATOM 0 HB2 LYS A 48 7.593 -2.464 -4.562 1.00 0.00 H new ATOM 0 HB3 LYS A 48 8.385 -3.887 -5.209 1.00 0.00 H new ATOM 0 HG2 LYS A 48 7.731 -3.116 -7.544 1.00 0.00 H new ATOM 0 HG3 LYS A 48 7.098 -1.643 -6.836 1.00 0.00 H new ATOM 0 HD2 LYS A 48 9.941 -2.388 -6.199 1.00 0.00 H new ATOM 0 HD3 LYS A 48 9.594 -1.815 -7.819 1.00 0.00 H new ATOM 0 HE2 LYS A 48 10.290 0.073 -6.475 1.00 0.00 H new ATOM 0 HE3 LYS A 48 8.590 0.265 -6.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 9.221 0.733 -4.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 7.982 -0.416 -4.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 9.560 -0.919 -4.321 1.00 0.00 H new ATOM 726 N LEU A 49 5.681 -4.554 -3.146 1.00 0.00 N ATOM 727 CA LEU A 49 5.448 -5.499 -2.062 1.00 0.00 C ATOM 728 C LEU A 49 4.321 -6.462 -2.449 1.00 0.00 C ATOM 729 O LEU A 49 4.470 -7.672 -2.302 1.00 0.00 O ATOM 730 CB LEU A 49 5.166 -4.760 -0.743 1.00 0.00 C ATOM 731 CG LEU A 49 5.148 -5.700 0.479 1.00 0.00 C ATOM 732 CD1 LEU A 49 6.529 -6.306 0.747 1.00 0.00 C ATOM 733 CD2 LEU A 49 4.749 -4.931 1.740 1.00 0.00 C ATOM 0 H LEU A 49 5.498 -3.581 -2.900 1.00 0.00 H new ATOM 0 HA LEU A 49 6.347 -6.092 -1.897 1.00 0.00 H new ATOM 0 HB2 LEU A 49 5.925 -3.992 -0.593 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.206 -4.249 -0.817 1.00 0.00 H new ATOM 0 HG LEU A 49 4.430 -6.488 0.252 1.00 0.00 H new ATOM 0 HD11 LEU A 49 6.476 -6.962 1.616 1.00 0.00 H new ATOM 0 HD12 LEU A 49 6.849 -6.880 -0.123 1.00 0.00 H new ATOM 0 HD13 LEU A 49 7.246 -5.508 0.939 1.00 0.00 H new ATOM 0 HD21 LEU A 49 4.741 -5.610 2.593 1.00 0.00 H new ATOM 0 HD22 LEU A 49 5.466 -4.130 1.920 1.00 0.00 H new ATOM 0 HD23 LEU A 49 3.755 -4.505 1.607 1.00 0.00 H new ATOM 745 N ASN A 50 3.209 -5.928 -2.970 1.00 0.00 N ATOM 746 CA ASN A 50 2.087 -6.716 -3.460 1.00 0.00 C ATOM 747 C ASN A 50 2.545 -7.711 -4.527 1.00 0.00 C ATOM 748 O ASN A 50 2.231 -8.895 -4.442 1.00 0.00 O ATOM 749 CB ASN A 50 1.000 -5.783 -4.011 1.00 0.00 C ATOM 750 CG ASN A 50 -0.172 -6.562 -4.605 1.00 0.00 C ATOM 751 OD1 ASN A 50 -1.094 -6.949 -3.893 1.00 0.00 O ATOM 752 ND2 ASN A 50 -0.141 -6.800 -5.918 1.00 0.00 N ATOM 0 H ASN A 50 3.068 -4.922 -3.061 1.00 0.00 H new ATOM 0 HA ASN A 50 1.671 -7.289 -2.632 1.00 0.00 H new ATOM 0 HB2 ASN A 50 0.638 -5.136 -3.212 1.00 0.00 H new ATOM 0 HB3 ASN A 50 1.430 -5.136 -4.775 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -0.900 -7.319 -6.360 1.00 0.00 H new ATOM 0 HD22 ASN A 50 0.641 -6.463 -6.479 1.00 0.00 H new ATOM 759 N ASP A 51 3.282 -7.221 -5.530 1.00 0.00 N ATOM 760 CA ASP A 51 3.762 -8.008 -6.655 1.00 0.00 C ATOM 761 C ASP A 51 4.650 -9.161 -6.183 1.00 0.00 C ATOM 762 O ASP A 51 4.427 -10.306 -6.569 1.00 0.00 O ATOM 763 CB ASP A 51 4.507 -7.091 -7.632 1.00 0.00 C ATOM 764 CG ASP A 51 5.010 -7.861 -8.848 1.00 0.00 C ATOM 765 OD1 ASP A 51 4.181 -8.100 -9.753 1.00 0.00 O ATOM 766 OD2 ASP A 51 6.213 -8.200 -8.850 1.00 0.00 O ATOM 0 H ASP A 51 3.564 -6.242 -5.576 1.00 0.00 H new ATOM 0 HA ASP A 51 2.911 -8.454 -7.169 1.00 0.00 H new ATOM 0 HB2 ASP A 51 3.844 -6.289 -7.957 1.00 0.00 H new ATOM 0 HB3 ASP A 51 5.349 -6.623 -7.123 1.00 0.00 H new ATOM 771 N SER A 52 5.649 -8.864 -5.345 1.00 0.00 N ATOM 772 CA SER A 52 6.554 -9.866 -4.797 1.00 0.00 C ATOM 773 C SER A 52 5.811 -10.907 -3.950 1.00 0.00 C ATOM 774 O SER A 52 6.223 -12.064 -3.913 1.00 0.00 O ATOM 775 CB SER A 52 7.679 -9.186 -4.010 1.00 0.00 C ATOM 776 OG SER A 52 7.164 -8.417 -2.946 1.00 0.00 O ATOM 0 H SER A 52 5.849 -7.915 -5.029 1.00 0.00 H new ATOM 0 HA SER A 52 7.001 -10.412 -5.628 1.00 0.00 H new ATOM 0 HB2 SER A 52 8.361 -9.941 -3.620 1.00 0.00 H new ATOM 0 HB3 SER A 52 8.258 -8.547 -4.677 1.00 0.00 H new ATOM 0 HG SER A 52 6.185 -8.422 -2.983 1.00 0.00 H new ATOM 782 N GLN A 53 4.714 -10.507 -3.291 1.00 0.00 N ATOM 783 CA GLN A 53 3.884 -11.394 -2.482 1.00 0.00 C ATOM 784 C GLN A 53 2.768 -12.057 -3.306 1.00 0.00 C ATOM 785 O GLN A 53 1.890 -12.694 -2.726 1.00 0.00 O ATOM 786 CB GLN A 53 3.296 -10.596 -1.309 1.00 0.00 C ATOM 787 CG GLN A 53 4.381 -10.181 -0.305 1.00 0.00 C ATOM 788 CD GLN A 53 3.817 -9.324 0.827 1.00 0.00 C ATOM 789 OE1 GLN A 53 2.706 -8.805 0.734 1.00 0.00 O ATOM 790 NE2 GLN A 53 4.585 -9.172 1.908 1.00 0.00 N ATOM 0 H GLN A 53 4.379 -9.544 -3.309 1.00 0.00 H new ATOM 0 HA GLN A 53 4.510 -12.202 -2.103 1.00 0.00 H new ATOM 0 HB2 GLN A 53 2.793 -9.707 -1.689 1.00 0.00 H new ATOM 0 HB3 GLN A 53 2.541 -11.197 -0.802 1.00 0.00 H new ATOM 0 HG2 GLN A 53 4.848 -11.073 0.114 1.00 0.00 H new ATOM 0 HG3 GLN A 53 5.162 -9.626 -0.825 1.00 0.00 H new ATOM 0 HE21 GLN A 53 5.501 -9.618 1.949 1.00 0.00 H new ATOM 0 HE22 GLN A 53 4.255 -8.610 2.693 1.00 0.00 H new ATOM 799 N ALA A 54 2.787 -11.941 -4.642 1.00 0.00 N ATOM 800 CA ALA A 54 1.814 -12.611 -5.493 1.00 0.00 C ATOM 801 C ALA A 54 2.082 -14.121 -5.496 1.00 0.00 C ATOM 802 O ALA A 54 3.218 -14.525 -5.745 1.00 0.00 O ATOM 803 CB ALA A 54 1.876 -12.047 -6.914 1.00 0.00 C ATOM 0 H ALA A 54 3.473 -11.384 -5.151 1.00 0.00 H new ATOM 0 HA ALA A 54 0.813 -12.434 -5.101 1.00 0.00 H new ATOM 0 HB1 ALA A 54 1.144 -12.557 -7.540 1.00 0.00 H new ATOM 0 HB2 ALA A 54 1.655 -10.980 -6.892 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.874 -12.202 -7.324 1.00 0.00 H new ATOM 809 N PRO A 55 1.071 -14.965 -5.225 1.00 0.00 N ATOM 810 CA PRO A 55 1.208 -16.411 -5.226 1.00 0.00 C ATOM 811 C PRO A 55 1.102 -16.930 -6.666 1.00 0.00 C ATOM 812 O PRO A 55 1.268 -16.178 -7.626 1.00 0.00 O ATOM 813 CB PRO A 55 0.058 -16.887 -4.330 1.00 0.00 C ATOM 814 CG PRO A 55 -1.058 -15.914 -4.700 1.00 0.00 C ATOM 815 CD PRO A 55 -0.297 -14.602 -4.887 1.00 0.00 C ATOM 0 HA PRO A 55 2.166 -16.775 -4.855 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -0.218 -17.921 -4.536 1.00 0.00 H new ATOM 0 HB3 PRO A 55 0.315 -16.830 -3.272 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -1.576 -16.217 -5.610 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -1.810 -15.840 -3.914 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -0.746 -14.002 -5.678 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -0.326 -14.003 -3.977 1.00 0.00 H new ATOM 823 N LYS A 56 0.817 -18.226 -6.812 1.00 0.00 N ATOM 824 CA LYS A 56 0.653 -18.883 -8.101 1.00 0.00 C ATOM 825 C LYS A 56 -0.645 -18.416 -8.762 1.00 0.00 C ATOM 826 O LYS A 56 -0.573 -18.022 -9.946 1.00 0.00 O ATOM 827 CB LYS A 56 0.654 -20.407 -7.917 1.00 0.00 C ATOM 828 CG LYS A 56 1.991 -20.908 -7.358 1.00 0.00 C ATOM 829 CD LYS A 56 1.976 -22.437 -7.236 1.00 0.00 C ATOM 830 CE LYS A 56 3.256 -22.976 -6.586 1.00 0.00 C ATOM 831 NZ LYS A 56 4.411 -22.738 -7.432 1.00 0.00 N ATOM 832 OXT LYS A 56 -1.688 -18.463 -8.072 1.00 0.00 O ATOM 0 H LYS A 56 0.692 -18.856 -6.020 1.00 0.00 H new ATOM 0 HA LYS A 56 1.486 -18.615 -8.750 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -0.153 -20.693 -7.242 1.00 0.00 H new ATOM 0 HB3 LYS A 56 0.456 -20.890 -8.874 1.00 0.00 H new ATOM 0 HG2 LYS A 56 2.806 -20.596 -8.011 1.00 0.00 H new ATOM 0 HG3 LYS A 56 2.176 -20.460 -6.382 1.00 0.00 H new ATOM 0 HD2 LYS A 56 1.113 -22.745 -6.646 1.00 0.00 H new ATOM 0 HD3 LYS A 56 1.859 -22.878 -8.226 1.00 0.00 H new ATOM 0 HE2 LYS A 56 3.405 -22.498 -5.618 1.00 0.00 H new ATOM 0 HE3 LYS A 56 3.151 -24.045 -6.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 5.242 -23.215 -7.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 4.227 -23.113 -8.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 4.593 -21.716 -7.491 1.00 0.00 H new TER 845 LYS A 56