USER MOD reduce.3.24.130724 H: found=0, std=0, add=494, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 494 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 22 TYR OH : rot -3:sc= 0.37 USER MOD Set 1.2: A 27 GLN : amide:sc= 0.073 K(o=0.44,f=-0.083) USER MOD Set 2.1: A 13 CYS SG : rot 60:sc= -3.25! USER MOD Set 2.2: A 31 ASN : amide:sc= 2.37 K(o=-0.89,f=-12!) USER MOD Single : A 1 MET CE :methyl -157:sc= -0.219 (180deg=-0.995) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= 1.24 K(o=1.2,f=-0.2) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0268) USER MOD Single : A 25 SER OG : rot 72:sc= 0.778 USER MOD Single : A 35 ASN : amide:sc= 1.28 K(o=1.3,f=-0.017) USER MOD Single : A 38 TYR OH : rot 150:sc= -1.34 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 68:sc= 0.114 USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 ASN : amide:sc= -1.96 K(o=-2,f=-6.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.130 21.402 2.141 1.00 0.00 N ATOM 2 CA MET A 1 -1.139 20.021 1.607 1.00 0.00 C ATOM 3 C MET A 1 -2.529 19.418 1.764 1.00 0.00 C ATOM 4 O MET A 1 -2.953 19.084 2.871 1.00 0.00 O ATOM 5 CB MET A 1 -0.097 19.159 2.331 1.00 0.00 C ATOM 6 CG MET A 1 -0.046 17.719 1.843 1.00 0.00 C ATOM 7 SD MET A 1 1.306 16.781 2.583 1.00 0.00 S ATOM 8 CE MET A 1 2.721 17.687 1.963 1.00 0.00 C ATOM 0 H1 MET A 1 -0.180 21.810 2.032 1.00 0.00 H new ATOM 0 H2 MET A 1 -1.818 21.981 1.618 1.00 0.00 H new ATOM 0 H3 MET A 1 -1.387 21.386 3.149 1.00 0.00 H new ATOM 0 HA MET A 1 -0.882 20.049 0.548 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.887 19.611 2.204 1.00 0.00 H new ATOM 0 HB3 MET A 1 -0.314 19.163 3.399 1.00 0.00 H new ATOM 0 HG2 MET A 1 -0.992 17.228 2.073 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.062 17.711 0.758 1.00 0.00 H new ATOM 0 HE1 MET A 1 3.599 17.041 1.971 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.523 18.017 0.943 1.00 0.00 H new ATOM 0 HE3 MET A 1 2.903 18.555 2.597 1.00 0.00 H new ATOM 20 N SER A 2 -3.239 19.302 0.655 1.00 0.00 N ATOM 21 CA SER A 2 -4.611 18.834 0.672 1.00 0.00 C ATOM 22 C SER A 2 -4.675 17.316 0.825 1.00 0.00 C ATOM 23 O SER A 2 -4.540 16.573 -0.147 1.00 0.00 O ATOM 24 CB SER A 2 -5.321 19.282 -0.608 1.00 0.00 C ATOM 25 OG SER A 2 -5.242 20.695 -0.763 1.00 0.00 O ATOM 0 H SER A 2 -2.883 19.528 -0.274 1.00 0.00 H new ATOM 0 HA SER A 2 -5.118 19.270 1.533 1.00 0.00 H new ATOM 0 HB2 SER A 2 -4.869 18.791 -1.470 1.00 0.00 H new ATOM 0 HB3 SER A 2 -6.366 18.973 -0.577 1.00 0.00 H new ATOM 0 HG SER A 2 -5.700 20.960 -1.588 1.00 0.00 H new ATOM 31 N LEU A 3 -4.845 16.860 2.061 1.00 0.00 N ATOM 32 CA LEU A 3 -5.009 15.442 2.331 1.00 0.00 C ATOM 33 C LEU A 3 -6.462 15.047 2.105 1.00 0.00 C ATOM 34 O LEU A 3 -7.373 15.636 2.688 1.00 0.00 O ATOM 35 CB LEU A 3 -4.579 15.102 3.763 1.00 0.00 C ATOM 36 CG LEU A 3 -4.641 13.614 4.118 1.00 0.00 C ATOM 37 CD1 LEU A 3 -3.718 12.804 3.216 1.00 0.00 C ATOM 38 CD2 LEU A 3 -4.277 13.405 5.578 1.00 0.00 C ATOM 0 H LEU A 3 -4.872 17.454 2.890 1.00 0.00 H new ATOM 0 HA LEU A 3 -4.371 14.879 1.649 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -3.559 15.454 3.914 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -5.213 15.653 4.458 1.00 0.00 H new ATOM 0 HG LEU A 3 -5.662 13.265 3.960 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -3.778 11.750 3.486 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -4.022 12.930 2.177 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -2.692 13.152 3.339 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -4.325 12.343 5.817 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -3.266 13.772 5.757 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -4.978 13.951 6.209 1.00 0.00 H new ATOM 50 N ASP A 4 -6.666 14.066 1.244 1.00 0.00 N ATOM 51 CA ASP A 4 -8.004 13.646 0.856 1.00 0.00 C ATOM 52 C ASP A 4 -8.226 12.176 1.201 1.00 0.00 C ATOM 53 O ASP A 4 -7.822 11.288 0.448 1.00 0.00 O ATOM 54 CB ASP A 4 -8.254 13.888 -0.632 1.00 0.00 C ATOM 55 CG ASP A 4 -9.732 13.990 -0.937 1.00 0.00 C ATOM 56 OD1 ASP A 4 -10.428 12.963 -0.888 1.00 0.00 O ATOM 57 OD2 ASP A 4 -10.208 15.114 -1.210 1.00 0.00 O ATOM 0 H ASP A 4 -5.916 13.540 0.796 1.00 0.00 H new ATOM 0 HA ASP A 4 -8.717 14.249 1.418 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -7.754 14.806 -0.941 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -7.817 13.075 -1.212 1.00 0.00 H new ATOM 62 N PRO A 5 -8.787 11.905 2.392 1.00 0.00 N ATOM 63 CA PRO A 5 -8.974 10.542 2.935 1.00 0.00 C ATOM 64 C PRO A 5 -9.790 9.573 2.054 1.00 0.00 C ATOM 65 O PRO A 5 -10.190 8.506 2.523 1.00 0.00 O ATOM 66 CB PRO A 5 -9.710 10.783 4.256 1.00 0.00 C ATOM 67 CG PRO A 5 -9.390 12.189 4.621 1.00 0.00 C ATOM 68 CD PRO A 5 -9.293 12.931 3.321 1.00 0.00 C ATOM 0 HA PRO A 5 -8.006 10.048 3.018 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -10.784 10.639 4.142 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -9.376 10.089 5.027 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -10.165 12.615 5.258 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -8.454 12.247 5.176 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -10.261 13.320 3.005 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -8.615 13.782 3.391 1.00 0.00 H new ATOM 76 N GLN A 6 -10.034 9.918 0.792 1.00 0.00 N ATOM 77 CA GLN A 6 -10.609 8.963 -0.153 1.00 0.00 C ATOM 78 C GLN A 6 -9.573 7.898 -0.499 1.00 0.00 C ATOM 79 O GLN A 6 -9.901 6.823 -0.998 1.00 0.00 O ATOM 80 CB GLN A 6 -11.073 9.657 -1.434 1.00 0.00 C ATOM 81 CG GLN A 6 -12.301 10.533 -1.258 1.00 0.00 C ATOM 82 CD GLN A 6 -12.720 11.208 -2.550 1.00 0.00 C ATOM 83 OE1 GLN A 6 -13.522 10.674 -3.315 1.00 0.00 O ATOM 84 NE2 GLN A 6 -12.160 12.375 -2.817 1.00 0.00 N ATOM 0 H GLN A 6 -9.845 10.842 0.403 1.00 0.00 H new ATOM 0 HA GLN A 6 -11.477 8.501 0.318 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -10.257 10.268 -1.819 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -11.286 8.899 -2.188 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -13.126 9.927 -0.884 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -12.097 11.293 -0.504 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -11.499 12.786 -2.158 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -12.389 12.864 -3.682 1.00 0.00 H new ATOM 93 N LEU A 7 -8.311 8.218 -0.225 1.00 0.00 N ATOM 94 CA LEU A 7 -7.212 7.289 -0.451 1.00 0.00 C ATOM 95 C LEU A 7 -6.967 6.438 0.791 1.00 0.00 C ATOM 96 O LEU A 7 -6.019 5.658 0.848 1.00 0.00 O ATOM 97 CB LEU A 7 -5.937 8.057 -0.809 1.00 0.00 C ATOM 98 CG LEU A 7 -6.027 8.935 -2.061 1.00 0.00 C ATOM 99 CD1 LEU A 7 -4.737 9.717 -2.250 1.00 0.00 C ATOM 100 CD2 LEU A 7 -6.325 8.087 -3.294 1.00 0.00 C ATOM 0 H LEU A 7 -8.025 9.120 0.156 1.00 0.00 H new ATOM 0 HA LEU A 7 -7.481 6.634 -1.280 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -5.664 8.688 0.037 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -5.128 7.340 -0.947 1.00 0.00 H new ATOM 0 HG LEU A 7 -6.846 9.642 -1.929 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -4.815 10.337 -3.143 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -4.566 10.353 -1.381 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -3.904 9.023 -2.361 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -6.385 8.730 -4.172 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -5.529 7.355 -3.433 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -7.274 7.569 -3.158 1.00 0.00 H new ATOM 112 N LEU A 8 -7.829 6.599 1.785 1.00 0.00 N ATOM 113 CA LEU A 8 -7.697 5.869 3.036 1.00 0.00 C ATOM 114 C LEU A 8 -8.955 5.060 3.307 1.00 0.00 C ATOM 115 O LEU A 8 -10.072 5.541 3.113 1.00 0.00 O ATOM 116 CB LEU A 8 -7.444 6.836 4.195 1.00 0.00 C ATOM 117 CG LEU A 8 -6.142 7.641 4.107 1.00 0.00 C ATOM 118 CD1 LEU A 8 -6.047 8.623 5.261 1.00 0.00 C ATOM 119 CD2 LEU A 8 -4.939 6.711 4.102 1.00 0.00 C ATOM 0 H LEU A 8 -8.629 7.231 1.748 1.00 0.00 H new ATOM 0 HA LEU A 8 -6.848 5.191 2.951 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -8.279 7.534 4.253 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -7.438 6.268 5.125 1.00 0.00 H new ATOM 0 HG LEU A 8 -6.147 8.203 3.173 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -5.117 9.186 5.184 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -6.892 9.311 5.224 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -6.064 8.078 6.205 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -4.024 7.300 4.039 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -4.930 6.123 5.020 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -5.000 6.042 3.243 1.00 0.00 H new ATOM 131 N GLU A 9 -8.767 3.825 3.742 1.00 0.00 N ATOM 132 CA GLU A 9 -9.880 2.945 4.043 1.00 0.00 C ATOM 133 C GLU A 9 -9.425 1.890 5.040 1.00 0.00 C ATOM 134 O GLU A 9 -8.229 1.599 5.134 1.00 0.00 O ATOM 135 CB GLU A 9 -10.388 2.277 2.758 1.00 0.00 C ATOM 136 CG GLU A 9 -11.699 1.527 2.927 1.00 0.00 C ATOM 137 CD GLU A 9 -12.101 0.766 1.685 1.00 0.00 C ATOM 138 OE1 GLU A 9 -12.462 1.403 0.675 1.00 0.00 O ATOM 139 OE2 GLU A 9 -12.063 -0.479 1.712 1.00 0.00 O ATOM 0 H GLU A 9 -7.848 3.409 3.895 1.00 0.00 H new ATOM 0 HA GLU A 9 -10.696 3.524 4.475 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -10.514 3.040 1.990 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -9.629 1.583 2.397 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -11.610 0.831 3.761 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -12.487 2.235 3.185 1.00 0.00 H new ATOM 146 N VAL A 10 -10.361 1.342 5.800 1.00 0.00 N ATOM 147 CA VAL A 10 -10.046 0.247 6.703 1.00 0.00 C ATOM 148 C VAL A 10 -9.717 -1.003 5.893 1.00 0.00 C ATOM 149 O VAL A 10 -10.606 -1.758 5.491 1.00 0.00 O ATOM 150 CB VAL A 10 -11.210 -0.050 7.671 1.00 0.00 C ATOM 151 CG1 VAL A 10 -10.813 -1.120 8.684 1.00 0.00 C ATOM 152 CG2 VAL A 10 -11.661 1.220 8.376 1.00 0.00 C ATOM 0 H VAL A 10 -11.338 1.635 5.810 1.00 0.00 H new ATOM 0 HA VAL A 10 -9.184 0.542 7.302 1.00 0.00 H new ATOM 0 HB VAL A 10 -12.048 -0.431 7.088 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -11.649 -1.313 9.356 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -10.550 -2.038 8.159 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -9.956 -0.774 9.262 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -12.482 0.988 9.054 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -10.829 1.636 8.944 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -11.995 1.948 7.636 1.00 0.00 H new ATOM 162 N LEU A 11 -8.434 -1.196 5.636 1.00 0.00 N ATOM 163 CA LEU A 11 -7.974 -2.293 4.801 1.00 0.00 C ATOM 164 C LEU A 11 -7.432 -3.430 5.657 1.00 0.00 C ATOM 165 O LEU A 11 -6.682 -3.201 6.610 1.00 0.00 O ATOM 166 CB LEU A 11 -6.903 -1.794 3.828 1.00 0.00 C ATOM 167 CG LEU A 11 -7.359 -0.673 2.886 1.00 0.00 C ATOM 168 CD1 LEU A 11 -6.200 -0.166 2.050 1.00 0.00 C ATOM 169 CD2 LEU A 11 -8.486 -1.161 1.992 1.00 0.00 C ATOM 0 H LEU A 11 -7.687 -0.602 5.997 1.00 0.00 H new ATOM 0 HA LEU A 11 -8.819 -2.675 4.228 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -6.047 -1.440 4.403 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -6.558 -2.636 3.227 1.00 0.00 H new ATOM 0 HG LEU A 11 -7.728 0.155 3.492 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -6.548 0.628 1.390 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -5.421 0.222 2.706 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -5.797 -0.984 1.453 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -8.799 -0.355 1.329 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -8.139 -2.006 1.397 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -9.330 -1.473 2.608 1.00 0.00 H new ATOM 181 N ALA A 12 -7.823 -4.648 5.313 1.00 0.00 N ATOM 182 CA ALA A 12 -7.430 -5.823 6.075 1.00 0.00 C ATOM 183 C ALA A 12 -6.943 -6.937 5.153 1.00 0.00 C ATOM 184 O ALA A 12 -7.309 -6.991 3.978 1.00 0.00 O ATOM 185 CB ALA A 12 -8.599 -6.304 6.921 1.00 0.00 C ATOM 0 H ALA A 12 -8.415 -4.848 4.507 1.00 0.00 H new ATOM 0 HA ALA A 12 -6.604 -5.549 6.731 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -8.299 -7.184 7.489 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -8.900 -5.513 7.608 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -9.437 -6.559 6.272 1.00 0.00 H new ATOM 191 N CYS A 13 -6.112 -7.820 5.691 1.00 0.00 N ATOM 192 CA CYS A 13 -5.578 -8.944 4.930 1.00 0.00 C ATOM 193 C CYS A 13 -6.658 -9.996 4.685 1.00 0.00 C ATOM 194 O CYS A 13 -7.506 -10.223 5.545 1.00 0.00 O ATOM 195 CB CYS A 13 -4.418 -9.584 5.689 1.00 0.00 C ATOM 196 SG CYS A 13 -3.164 -8.412 6.239 1.00 0.00 S ATOM 0 H CYS A 13 -5.791 -7.779 6.658 1.00 0.00 H new ATOM 0 HA CYS A 13 -5.227 -8.567 3.969 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -4.813 -10.112 6.557 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -3.947 -10.330 5.049 1.00 0.00 H new ATOM 0 HG CYS A 13 -3.706 -7.537 7.033 1.00 0.00 H new ATOM 202 N PRO A 14 -6.622 -10.671 3.522 1.00 0.00 N ATOM 203 CA PRO A 14 -7.589 -11.728 3.176 1.00 0.00 C ATOM 204 C PRO A 14 -7.386 -13.016 3.983 1.00 0.00 C ATOM 205 O PRO A 14 -7.881 -14.080 3.613 1.00 0.00 O ATOM 206 CB PRO A 14 -7.317 -11.984 1.693 1.00 0.00 C ATOM 207 CG PRO A 14 -5.895 -11.584 1.495 1.00 0.00 C ATOM 208 CD PRO A 14 -5.659 -10.433 2.431 1.00 0.00 C ATOM 0 HA PRO A 14 -8.611 -11.421 3.397 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -7.473 -13.032 1.437 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -7.985 -11.399 1.061 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -5.222 -12.412 1.716 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -5.712 -11.291 0.461 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -4.633 -10.418 2.798 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -5.836 -9.475 1.942 1.00 0.00 H new ATOM 216 N LYS A 15 -6.647 -12.906 5.079 1.00 0.00 N ATOM 217 CA LYS A 15 -6.431 -14.021 5.986 1.00 0.00 C ATOM 218 C LYS A 15 -6.581 -13.544 7.428 1.00 0.00 C ATOM 219 O LYS A 15 -7.491 -13.956 8.145 1.00 0.00 O ATOM 220 CB LYS A 15 -5.036 -14.633 5.793 1.00 0.00 C ATOM 221 CG LYS A 15 -4.789 -15.832 6.698 1.00 0.00 C ATOM 222 CD LYS A 15 -3.314 -16.170 6.844 1.00 0.00 C ATOM 223 CE LYS A 15 -2.714 -16.719 5.561 1.00 0.00 C ATOM 224 NZ LYS A 15 -1.367 -17.293 5.802 1.00 0.00 N ATOM 0 H LYS A 15 -6.182 -12.043 5.362 1.00 0.00 H new ATOM 0 HA LYS A 15 -7.175 -14.787 5.767 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -4.918 -14.938 4.753 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -4.280 -13.873 5.990 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -5.209 -15.630 7.683 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -5.317 -16.698 6.298 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -2.767 -15.276 7.143 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -3.189 -16.902 7.642 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -3.370 -17.485 5.148 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -2.646 -15.924 4.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -0.981 -17.660 4.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -0.736 -16.554 6.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -1.438 -18.067 6.493 1.00 0.00 H new ATOM 238 N ASP A 16 -5.677 -12.659 7.830 1.00 0.00 N ATOM 239 CA ASP A 16 -5.649 -12.135 9.190 1.00 0.00 C ATOM 240 C ASP A 16 -6.824 -11.198 9.448 1.00 0.00 C ATOM 241 O ASP A 16 -7.403 -11.208 10.536 1.00 0.00 O ATOM 242 CB ASP A 16 -4.320 -11.411 9.436 1.00 0.00 C ATOM 243 CG ASP A 16 -4.260 -10.733 10.790 1.00 0.00 C ATOM 244 OD1 ASP A 16 -4.438 -11.418 11.815 1.00 0.00 O ATOM 245 OD2 ASP A 16 -4.021 -9.512 10.832 1.00 0.00 O ATOM 0 H ASP A 16 -4.945 -12.286 7.225 1.00 0.00 H new ATOM 0 HA ASP A 16 -5.738 -12.971 9.884 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -3.502 -12.127 9.357 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -4.168 -10.666 8.655 1.00 0.00 H new ATOM 250 N LYS A 17 -7.180 -10.398 8.440 1.00 0.00 N ATOM 251 CA LYS A 17 -8.275 -9.428 8.556 1.00 0.00 C ATOM 252 C LYS A 17 -7.981 -8.379 9.630 1.00 0.00 C ATOM 253 O LYS A 17 -8.891 -7.719 10.135 1.00 0.00 O ATOM 254 CB LYS A 17 -9.603 -10.140 8.844 1.00 0.00 C ATOM 255 CG LYS A 17 -10.124 -10.924 7.654 1.00 0.00 C ATOM 256 CD LYS A 17 -11.332 -11.771 8.016 1.00 0.00 C ATOM 257 CE LYS A 17 -12.516 -10.930 8.477 1.00 0.00 C ATOM 258 NZ LYS A 17 -13.080 -10.095 7.379 1.00 0.00 N ATOM 0 H LYS A 17 -6.723 -10.402 7.528 1.00 0.00 H new ATOM 0 HA LYS A 17 -8.361 -8.910 7.601 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -9.471 -10.816 9.688 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -10.348 -9.402 9.141 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -10.392 -10.234 6.854 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -9.333 -11.567 7.269 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -11.627 -12.366 7.151 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -11.058 -12.471 8.806 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -13.294 -11.586 8.868 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -12.202 -10.284 9.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -13.933 -9.606 7.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -12.374 -9.392 7.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -13.327 -10.703 6.572 1.00 0.00 H new ATOM 272 N GLY A 18 -6.704 -8.218 9.956 1.00 0.00 N ATOM 273 CA GLY A 18 -6.303 -7.233 10.939 1.00 0.00 C ATOM 274 C GLY A 18 -5.872 -5.924 10.303 1.00 0.00 C ATOM 275 O GLY A 18 -6.065 -5.727 9.102 1.00 0.00 O ATOM 0 H GLY A 18 -5.936 -8.756 9.554 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -7.132 -7.047 11.622 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -5.482 -7.632 11.535 1.00 0.00 H new ATOM 279 N PRO A 19 -5.274 -5.016 11.087 1.00 0.00 N ATOM 280 CA PRO A 19 -4.889 -3.686 10.611 1.00 0.00 C ATOM 281 C PRO A 19 -3.639 -3.694 9.730 1.00 0.00 C ATOM 282 O PRO A 19 -2.638 -4.342 10.044 1.00 0.00 O ATOM 283 CB PRO A 19 -4.627 -2.912 11.904 1.00 0.00 C ATOM 284 CG PRO A 19 -4.217 -3.948 12.895 1.00 0.00 C ATOM 285 CD PRO A 19 -4.926 -5.219 12.506 1.00 0.00 C ATOM 0 HA PRO A 19 -5.662 -3.252 9.978 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -3.845 -2.166 11.766 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -5.520 -2.381 12.234 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -3.136 -4.088 12.884 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -4.489 -3.646 13.906 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -4.284 -6.090 12.639 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -5.815 -5.382 13.115 1.00 0.00 H new ATOM 293 N LEU A 20 -3.714 -2.970 8.625 1.00 0.00 N ATOM 294 CA LEU A 20 -2.581 -2.808 7.727 1.00 0.00 C ATOM 295 C LEU A 20 -1.940 -1.440 7.924 1.00 0.00 C ATOM 296 O LEU A 20 -2.640 -0.438 8.069 1.00 0.00 O ATOM 297 CB LEU A 20 -3.029 -2.952 6.268 1.00 0.00 C ATOM 298 CG LEU A 20 -3.369 -4.373 5.823 1.00 0.00 C ATOM 299 CD1 LEU A 20 -3.985 -4.368 4.434 1.00 0.00 C ATOM 300 CD2 LEU A 20 -2.123 -5.242 5.843 1.00 0.00 C ATOM 0 H LEU A 20 -4.557 -2.480 8.326 1.00 0.00 H new ATOM 0 HA LEU A 20 -1.852 -3.585 7.957 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.904 -2.321 6.111 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.239 -2.567 5.624 1.00 0.00 H new ATOM 0 HG LEU A 20 -4.098 -4.787 6.520 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -4.220 -5.390 4.136 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -4.899 -3.774 4.443 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.279 -3.936 3.724 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.379 -6.252 5.524 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.378 -4.825 5.165 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.717 -5.273 6.854 1.00 0.00 H new ATOM 312 N ARG A 21 -0.616 -1.399 7.930 1.00 0.00 N ATOM 313 CA ARG A 21 0.099 -0.136 8.019 1.00 0.00 C ATOM 314 C ARG A 21 0.246 0.469 6.634 1.00 0.00 C ATOM 315 O ARG A 21 0.748 -0.180 5.714 1.00 0.00 O ATOM 316 CB ARG A 21 1.484 -0.307 8.654 1.00 0.00 C ATOM 317 CG ARG A 21 1.450 -0.570 10.151 1.00 0.00 C ATOM 318 CD ARG A 21 2.802 -0.293 10.800 1.00 0.00 C ATOM 319 NE ARG A 21 3.822 -1.284 10.449 1.00 0.00 N ATOM 320 CZ ARG A 21 4.887 -1.027 9.687 1.00 0.00 C ATOM 321 NH1 ARG A 21 5.047 0.165 9.118 1.00 0.00 N ATOM 322 NH2 ARG A 21 5.801 -1.967 9.501 1.00 0.00 N ATOM 0 H ARG A 21 -0.017 -2.223 7.874 1.00 0.00 H new ATOM 0 HA ARG A 21 -0.482 0.529 8.658 1.00 0.00 H new ATOM 0 HB2 ARG A 21 1.998 -1.133 8.162 1.00 0.00 H new ATOM 0 HB3 ARG A 21 2.072 0.592 8.467 1.00 0.00 H new ATOM 0 HG2 ARG A 21 0.688 0.057 10.614 1.00 0.00 H new ATOM 0 HG3 ARG A 21 1.164 -1.606 10.333 1.00 0.00 H new ATOM 0 HD2 ARG A 21 3.147 0.696 10.499 1.00 0.00 H new ATOM 0 HD3 ARG A 21 2.681 -0.273 11.883 1.00 0.00 H new ATOM 0 HE ARG A 21 3.711 -2.231 10.810 1.00 0.00 H new ATOM 0 HH11 ARG A 21 4.351 0.896 9.262 1.00 0.00 H new ATOM 0 HH12 ARG A 21 5.866 0.347 8.538 1.00 0.00 H new ATOM 0 HH21 ARG A 21 5.689 -2.881 9.939 1.00 0.00 H new ATOM 0 HH22 ARG A 21 6.617 -1.777 8.920 1.00 0.00 H new ATOM 336 N TYR A 22 -0.204 1.702 6.487 1.00 0.00 N ATOM 337 CA TYR A 22 -0.120 2.391 5.213 1.00 0.00 C ATOM 338 C TYR A 22 1.181 3.172 5.112 1.00 0.00 C ATOM 339 O TYR A 22 1.351 4.214 5.758 1.00 0.00 O ATOM 340 CB TYR A 22 -1.318 3.327 5.023 1.00 0.00 C ATOM 341 CG TYR A 22 -1.219 4.206 3.791 1.00 0.00 C ATOM 342 CD1 TYR A 22 -1.283 3.660 2.515 1.00 0.00 C ATOM 343 CD2 TYR A 22 -1.062 5.583 3.906 1.00 0.00 C ATOM 344 CE1 TYR A 22 -1.185 4.460 1.389 1.00 0.00 C ATOM 345 CE2 TYR A 22 -0.967 6.388 2.787 1.00 0.00 C ATOM 346 CZ TYR A 22 -1.030 5.824 1.530 1.00 0.00 C ATOM 347 OH TYR A 22 -0.931 6.626 0.413 1.00 0.00 O ATOM 0 H TYR A 22 -0.632 2.247 7.236 1.00 0.00 H new ATOM 0 HA TYR A 22 -0.138 1.643 4.421 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -2.227 2.730 4.959 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -1.415 3.962 5.904 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -1.411 2.594 2.399 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -1.013 6.031 4.887 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -1.230 4.018 0.404 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -0.844 7.455 2.896 1.00 0.00 H new ATOM 0 HH TYR A 22 -0.940 6.068 -0.392 1.00 0.00 H new ATOM 357 N LEU A 23 2.105 2.656 4.321 1.00 0.00 N ATOM 358 CA LEU A 23 3.353 3.353 4.062 1.00 0.00 C ATOM 359 C LEU A 23 3.137 4.380 2.963 1.00 0.00 C ATOM 360 O LEU A 23 2.938 4.028 1.807 1.00 0.00 O ATOM 361 CB LEU A 23 4.468 2.377 3.668 1.00 0.00 C ATOM 362 CG LEU A 23 5.041 1.520 4.808 1.00 0.00 C ATOM 363 CD1 LEU A 23 5.483 2.390 5.974 1.00 0.00 C ATOM 364 CD2 LEU A 23 4.040 0.473 5.271 1.00 0.00 C ATOM 0 H LEU A 23 2.015 1.757 3.847 1.00 0.00 H new ATOM 0 HA LEU A 23 3.666 3.856 4.977 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.085 1.711 2.895 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.283 2.947 3.222 1.00 0.00 H new ATOM 0 HG LEU A 23 5.916 0.999 4.419 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.884 1.759 6.767 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.253 3.085 5.638 1.00 0.00 H new ATOM 0 HD13 LEU A 23 4.629 2.951 6.354 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.476 -0.116 6.078 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.137 0.967 5.630 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.788 -0.183 4.438 1.00 0.00 H new ATOM 376 N GLU A 24 3.163 5.647 3.336 1.00 0.00 N ATOM 377 CA GLU A 24 2.882 6.730 2.402 1.00 0.00 C ATOM 378 C GLU A 24 4.056 6.949 1.461 1.00 0.00 C ATOM 379 O GLU A 24 3.885 7.237 0.277 1.00 0.00 O ATOM 380 CB GLU A 24 2.557 8.028 3.162 1.00 0.00 C ATOM 381 CG GLU A 24 3.726 8.650 3.933 1.00 0.00 C ATOM 382 CD GLU A 24 4.281 7.747 5.017 1.00 0.00 C ATOM 383 OE1 GLU A 24 3.778 7.795 6.160 1.00 0.00 O ATOM 384 OE2 GLU A 24 5.214 6.973 4.720 1.00 0.00 O ATOM 0 H GLU A 24 3.377 5.955 4.284 1.00 0.00 H new ATOM 0 HA GLU A 24 2.013 6.448 1.807 1.00 0.00 H new ATOM 0 HB2 GLU A 24 2.183 8.762 2.449 1.00 0.00 H new ATOM 0 HB3 GLU A 24 1.748 7.825 3.864 1.00 0.00 H new ATOM 0 HG2 GLU A 24 4.524 8.896 3.232 1.00 0.00 H new ATOM 0 HG3 GLU A 24 3.397 9.586 4.384 1.00 0.00 H new ATOM 391 N SER A 25 5.245 6.813 2.004 1.00 0.00 N ATOM 392 CA SER A 25 6.467 7.009 1.244 1.00 0.00 C ATOM 393 C SER A 25 6.706 5.873 0.242 1.00 0.00 C ATOM 394 O SER A 25 7.245 6.099 -0.843 1.00 0.00 O ATOM 395 CB SER A 25 7.643 7.117 2.211 1.00 0.00 C ATOM 396 OG SER A 25 7.388 8.093 3.212 1.00 0.00 O ATOM 0 H SER A 25 5.396 6.564 2.982 1.00 0.00 H new ATOM 0 HA SER A 25 6.370 7.929 0.668 1.00 0.00 H new ATOM 0 HB2 SER A 25 7.825 6.149 2.679 1.00 0.00 H new ATOM 0 HB3 SER A 25 8.547 7.381 1.662 1.00 0.00 H new ATOM 0 HG SER A 25 6.716 7.752 3.838 1.00 0.00 H new ATOM 402 N GLU A 26 6.287 4.661 0.602 1.00 0.00 N ATOM 403 CA GLU A 26 6.568 3.476 -0.212 1.00 0.00 C ATOM 404 C GLU A 26 5.323 2.995 -0.963 1.00 0.00 C ATOM 405 O GLU A 26 5.425 2.206 -1.905 1.00 0.00 O ATOM 406 CB GLU A 26 7.117 2.362 0.683 1.00 0.00 C ATOM 407 CG GLU A 26 8.387 2.760 1.425 1.00 0.00 C ATOM 408 CD GLU A 26 8.809 1.746 2.466 1.00 0.00 C ATOM 409 OE1 GLU A 26 8.085 1.584 3.467 1.00 0.00 O ATOM 410 OE2 GLU A 26 9.874 1.117 2.300 1.00 0.00 O ATOM 0 H GLU A 26 5.753 4.472 1.450 1.00 0.00 H new ATOM 0 HA GLU A 26 7.313 3.744 -0.961 1.00 0.00 H new ATOM 0 HB2 GLU A 26 6.354 2.078 1.408 1.00 0.00 H new ATOM 0 HB3 GLU A 26 7.321 1.482 0.073 1.00 0.00 H new ATOM 0 HG2 GLU A 26 9.195 2.891 0.705 1.00 0.00 H new ATOM 0 HG3 GLU A 26 8.231 3.725 1.908 1.00 0.00 H new ATOM 417 N GLN A 27 4.156 3.476 -0.531 1.00 0.00 N ATOM 418 CA GLN A 27 2.872 3.140 -1.157 1.00 0.00 C ATOM 419 C GLN A 27 2.595 1.637 -1.125 1.00 0.00 C ATOM 420 O GLN A 27 2.235 1.030 -2.138 1.00 0.00 O ATOM 421 CB GLN A 27 2.813 3.677 -2.589 1.00 0.00 C ATOM 422 CG GLN A 27 2.645 5.185 -2.650 1.00 0.00 C ATOM 423 CD GLN A 27 1.368 5.644 -1.971 1.00 0.00 C ATOM 424 OE1 GLN A 27 0.359 4.938 -1.976 1.00 0.00 O ATOM 425 NE2 GLN A 27 1.408 6.817 -1.362 1.00 0.00 N ATOM 0 H GLN A 27 4.072 4.110 0.263 1.00 0.00 H new ATOM 0 HA GLN A 27 2.088 3.623 -0.573 1.00 0.00 H new ATOM 0 HB2 GLN A 27 3.726 3.397 -3.114 1.00 0.00 H new ATOM 0 HB3 GLN A 27 1.984 3.203 -3.115 1.00 0.00 H new ATOM 0 HG2 GLN A 27 3.501 5.664 -2.174 1.00 0.00 H new ATOM 0 HG3 GLN A 27 2.637 5.507 -3.691 1.00 0.00 H new ATOM 0 HE21 GLN A 27 2.263 7.372 -1.381 1.00 0.00 H new ATOM 0 HE22 GLN A 27 0.584 7.166 -0.874 1.00 0.00 H new ATOM 434 N LEU A 28 2.747 1.049 0.057 1.00 0.00 N ATOM 435 CA LEU A 28 2.476 -0.367 0.265 1.00 0.00 C ATOM 436 C LEU A 28 1.701 -0.561 1.566 1.00 0.00 C ATOM 437 O LEU A 28 1.752 0.290 2.462 1.00 0.00 O ATOM 438 CB LEU A 28 3.786 -1.167 0.313 1.00 0.00 C ATOM 439 CG LEU A 28 4.568 -1.227 -1.002 1.00 0.00 C ATOM 440 CD1 LEU A 28 5.905 -1.924 -0.793 1.00 0.00 C ATOM 441 CD2 LEU A 28 3.756 -1.945 -2.071 1.00 0.00 C ATOM 0 H LEU A 28 3.061 1.540 0.895 1.00 0.00 H new ATOM 0 HA LEU A 28 1.877 -0.732 -0.569 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.429 -0.733 1.079 1.00 0.00 H new ATOM 0 HB3 LEU A 28 3.558 -2.186 0.627 1.00 0.00 H new ATOM 0 HG LEU A 28 4.758 -0.208 -1.339 1.00 0.00 H new ATOM 0 HD11 LEU A 28 6.449 -1.959 -1.737 1.00 0.00 H new ATOM 0 HD12 LEU A 28 6.491 -1.374 -0.057 1.00 0.00 H new ATOM 0 HD13 LEU A 28 5.734 -2.939 -0.435 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.326 -1.979 -2.999 1.00 0.00 H new ATOM 0 HD22 LEU A 28 3.538 -2.961 -1.741 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.821 -1.410 -2.239 1.00 0.00 H new ATOM 453 N LEU A 29 0.983 -1.673 1.660 1.00 0.00 N ATOM 454 CA LEU A 29 0.207 -1.994 2.853 1.00 0.00 C ATOM 455 C LEU A 29 0.840 -3.172 3.579 1.00 0.00 C ATOM 456 O LEU A 29 0.794 -4.297 3.091 1.00 0.00 O ATOM 457 CB LEU A 29 -1.226 -2.347 2.460 1.00 0.00 C ATOM 458 CG LEU A 29 -1.979 -1.266 1.686 1.00 0.00 C ATOM 459 CD1 LEU A 29 -3.288 -1.818 1.154 1.00 0.00 C ATOM 460 CD2 LEU A 29 -2.228 -0.056 2.572 1.00 0.00 C ATOM 0 H LEU A 29 0.921 -2.372 0.920 1.00 0.00 H new ATOM 0 HA LEU A 29 0.196 -1.127 3.513 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.206 -3.255 1.857 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -1.787 -2.579 3.366 1.00 0.00 H new ATOM 0 HG LEU A 29 -1.368 -0.951 0.840 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -3.815 -1.038 0.604 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -3.085 -2.657 0.489 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -3.905 -2.156 1.986 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -2.765 0.705 2.006 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -2.823 -0.354 3.435 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -1.275 0.349 2.911 1.00 0.00 H new ATOM 472 N VAL A 30 1.419 -2.917 4.741 1.00 0.00 N ATOM 473 CA VAL A 30 2.178 -3.942 5.449 1.00 0.00 C ATOM 474 C VAL A 30 1.496 -4.339 6.752 1.00 0.00 C ATOM 475 O VAL A 30 1.160 -3.485 7.574 1.00 0.00 O ATOM 476 CB VAL A 30 3.614 -3.458 5.758 1.00 0.00 C ATOM 477 CG1 VAL A 30 4.437 -4.561 6.412 1.00 0.00 C ATOM 478 CG2 VAL A 30 4.297 -2.951 4.494 1.00 0.00 C ATOM 0 H VAL A 30 1.380 -2.014 5.214 1.00 0.00 H new ATOM 0 HA VAL A 30 2.223 -4.811 4.793 1.00 0.00 H new ATOM 0 HB VAL A 30 3.544 -2.630 6.464 1.00 0.00 H new ATOM 0 HG11 VAL A 30 5.442 -4.192 6.618 1.00 0.00 H new ATOM 0 HG12 VAL A 30 3.963 -4.863 7.346 1.00 0.00 H new ATOM 0 HG13 VAL A 30 4.496 -5.418 5.741 1.00 0.00 H new ATOM 0 HG21 VAL A 30 5.306 -2.616 4.735 1.00 0.00 H new ATOM 0 HG22 VAL A 30 4.348 -3.755 3.760 1.00 0.00 H new ATOM 0 HG23 VAL A 30 3.727 -2.119 4.081 1.00 0.00 H new ATOM 488 N ASN A 31 1.280 -5.634 6.930 1.00 0.00 N ATOM 489 CA ASN A 31 0.756 -6.148 8.188 1.00 0.00 C ATOM 490 C ASN A 31 1.919 -6.547 9.082 1.00 0.00 C ATOM 491 O ASN A 31 2.690 -7.450 8.752 1.00 0.00 O ATOM 492 CB ASN A 31 -0.176 -7.348 7.964 1.00 0.00 C ATOM 493 CG ASN A 31 -0.865 -7.821 9.243 1.00 0.00 C ATOM 494 OD1 ASN A 31 -0.308 -7.752 10.338 1.00 0.00 O ATOM 495 ND2 ASN A 31 -2.088 -8.309 9.109 1.00 0.00 N ATOM 0 H ASN A 31 1.459 -6.346 6.222 1.00 0.00 H new ATOM 0 HA ASN A 31 0.168 -5.364 8.666 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -0.934 -7.079 7.229 1.00 0.00 H new ATOM 0 HB3 ASN A 31 0.399 -8.173 7.542 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -2.597 -8.642 9.928 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -2.522 -8.352 8.187 1.00 0.00 H new ATOM 502 N GLU A 32 2.022 -5.875 10.220 1.00 0.00 N ATOM 503 CA GLU A 32 3.137 -6.056 11.142 1.00 0.00 C ATOM 504 C GLU A 32 3.190 -7.489 11.679 1.00 0.00 C ATOM 505 O GLU A 32 4.257 -7.994 12.031 1.00 0.00 O ATOM 506 CB GLU A 32 2.998 -5.065 12.302 1.00 0.00 C ATOM 507 CG GLU A 32 4.221 -4.986 13.201 1.00 0.00 C ATOM 508 CD GLU A 32 5.452 -4.489 12.470 1.00 0.00 C ATOM 509 OE1 GLU A 32 5.303 -3.746 11.480 1.00 0.00 O ATOM 510 OE2 GLU A 32 6.576 -4.826 12.898 1.00 0.00 O ATOM 0 H GLU A 32 1.335 -5.188 10.531 1.00 0.00 H new ATOM 0 HA GLU A 32 4.066 -5.869 10.604 1.00 0.00 H new ATOM 0 HB2 GLU A 32 2.794 -4.074 11.897 1.00 0.00 H new ATOM 0 HB3 GLU A 32 2.135 -5.347 12.905 1.00 0.00 H new ATOM 0 HG2 GLU A 32 4.009 -4.323 14.039 1.00 0.00 H new ATOM 0 HG3 GLU A 32 4.425 -5.972 13.618 1.00 0.00 H new ATOM 517 N ARG A 33 2.040 -8.149 11.720 1.00 0.00 N ATOM 518 CA ARG A 33 1.951 -9.485 12.291 1.00 0.00 C ATOM 519 C ARG A 33 2.198 -10.562 11.238 1.00 0.00 C ATOM 520 O ARG A 33 2.326 -11.739 11.572 1.00 0.00 O ATOM 521 CB ARG A 33 0.581 -9.705 12.940 1.00 0.00 C ATOM 522 CG ARG A 33 0.210 -8.628 13.943 1.00 0.00 C ATOM 523 CD ARG A 33 -0.963 -9.046 14.818 1.00 0.00 C ATOM 524 NE ARG A 33 -2.175 -9.343 14.051 1.00 0.00 N ATOM 525 CZ ARG A 33 -3.410 -9.130 14.509 1.00 0.00 C ATOM 526 NH1 ARG A 33 -3.590 -8.528 15.680 1.00 0.00 N ATOM 527 NH2 ARG A 33 -4.462 -9.511 13.795 1.00 0.00 N ATOM 0 H ARG A 33 1.157 -7.781 11.365 1.00 0.00 H new ATOM 0 HA ARG A 33 2.727 -9.564 13.052 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -0.180 -9.743 12.161 1.00 0.00 H new ATOM 0 HB3 ARG A 33 0.575 -10.674 13.439 1.00 0.00 H new ATOM 0 HG2 ARG A 33 1.072 -8.406 14.573 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -0.042 -7.710 13.413 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -0.682 -9.926 15.396 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -1.178 -8.251 15.532 1.00 0.00 H new ATOM 0 HE ARG A 33 -2.069 -9.734 13.115 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -2.784 -8.229 16.229 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -4.534 -8.365 16.030 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -4.328 -9.968 12.893 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -5.405 -9.347 14.148 1.00 0.00 H new ATOM 541 N LEU A 34 2.261 -10.160 9.970 1.00 0.00 N ATOM 542 CA LEU A 34 2.451 -11.121 8.880 1.00 0.00 C ATOM 543 C LEU A 34 3.756 -10.877 8.126 1.00 0.00 C ATOM 544 O LEU A 34 4.247 -11.770 7.438 1.00 0.00 O ATOM 545 CB LEU A 34 1.274 -11.063 7.899 1.00 0.00 C ATOM 546 CG LEU A 34 -0.082 -11.446 8.488 1.00 0.00 C ATOM 547 CD1 LEU A 34 -1.169 -11.349 7.433 1.00 0.00 C ATOM 548 CD2 LEU A 34 -0.045 -12.848 9.081 1.00 0.00 C ATOM 0 H LEU A 34 2.185 -9.188 9.672 1.00 0.00 H new ATOM 0 HA LEU A 34 2.500 -12.111 9.332 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.206 -10.052 7.498 1.00 0.00 H new ATOM 0 HB3 LEU A 34 1.488 -11.725 7.060 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.309 -10.743 9.290 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.128 -11.626 7.872 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.223 -10.327 7.059 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.938 -12.025 6.610 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.023 -13.095 9.493 1.00 0.00 H new ATOM 0 HD22 LEU A 34 0.212 -13.566 8.302 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.703 -12.889 9.873 1.00 0.00 H new ATOM 560 N ASN A 35 4.296 -9.659 8.245 1.00 0.00 N ATOM 561 CA ASN A 35 5.528 -9.268 7.545 1.00 0.00 C ATOM 562 C ASN A 35 5.324 -9.296 6.031 1.00 0.00 C ATOM 563 O ASN A 35 6.275 -9.431 5.259 1.00 0.00 O ATOM 564 CB ASN A 35 6.705 -10.173 7.935 1.00 0.00 C ATOM 565 CG ASN A 35 7.120 -10.016 9.386 1.00 0.00 C ATOM 566 OD1 ASN A 35 6.603 -10.694 10.273 1.00 0.00 O ATOM 567 ND2 ASN A 35 8.062 -9.122 9.640 1.00 0.00 N ATOM 0 H ASN A 35 3.896 -8.921 8.824 1.00 0.00 H new ATOM 0 HA ASN A 35 5.767 -8.249 7.849 1.00 0.00 H new ATOM 0 HB2 ASN A 35 6.433 -11.212 7.751 1.00 0.00 H new ATOM 0 HB3 ASN A 35 7.557 -9.948 7.293 1.00 0.00 H new ATOM 0 HD21 ASN A 35 8.383 -8.977 10.597 1.00 0.00 H new ATOM 0 HD22 ASN A 35 8.468 -8.578 8.878 1.00 0.00 H new ATOM 574 N LEU A 36 4.073 -9.149 5.617 1.00 0.00 N ATOM 575 CA LEU A 36 3.723 -9.161 4.207 1.00 0.00 C ATOM 576 C LEU A 36 3.093 -7.836 3.804 1.00 0.00 C ATOM 577 O LEU A 36 2.403 -7.194 4.603 1.00 0.00 O ATOM 578 CB LEU A 36 2.761 -10.310 3.898 1.00 0.00 C ATOM 579 CG LEU A 36 3.328 -11.716 4.112 1.00 0.00 C ATOM 580 CD1 LEU A 36 2.264 -12.768 3.844 1.00 0.00 C ATOM 581 CD2 LEU A 36 4.539 -11.946 3.222 1.00 0.00 C ATOM 0 H LEU A 36 3.279 -9.019 6.245 1.00 0.00 H new ATOM 0 HA LEU A 36 4.638 -9.307 3.632 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.874 -10.196 4.520 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.437 -10.221 2.861 1.00 0.00 H new ATOM 0 HG LEU A 36 3.644 -11.802 5.152 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.686 -13.761 4.001 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.425 -12.618 4.524 1.00 0.00 H new ATOM 0 HD13 LEU A 36 1.917 -12.680 2.814 1.00 0.00 H new ATOM 0 HD21 LEU A 36 4.928 -12.951 3.389 1.00 0.00 H new ATOM 0 HD22 LEU A 36 4.248 -11.838 2.177 1.00 0.00 H new ATOM 0 HD23 LEU A 36 5.311 -11.214 3.461 1.00 0.00 H new ATOM 593 N ALA A 37 3.322 -7.443 2.564 1.00 0.00 N ATOM 594 CA ALA A 37 2.805 -6.188 2.049 1.00 0.00 C ATOM 595 C ALA A 37 1.938 -6.429 0.826 1.00 0.00 C ATOM 596 O ALA A 37 2.282 -7.223 -0.048 1.00 0.00 O ATOM 597 CB ALA A 37 3.944 -5.244 1.694 1.00 0.00 C ATOM 0 H ALA A 37 3.867 -7.980 1.890 1.00 0.00 H new ATOM 0 HA ALA A 37 2.197 -5.729 2.828 1.00 0.00 H new ATOM 0 HB1 ALA A 37 3.536 -4.309 1.310 1.00 0.00 H new ATOM 0 HB2 ALA A 37 4.539 -5.041 2.584 1.00 0.00 H new ATOM 0 HB3 ALA A 37 4.574 -5.704 0.933 1.00 0.00 H new ATOM 603 N TYR A 38 0.808 -5.750 0.777 1.00 0.00 N ATOM 604 CA TYR A 38 -0.103 -5.851 -0.351 1.00 0.00 C ATOM 605 C TYR A 38 0.088 -4.669 -1.286 1.00 0.00 C ATOM 606 O TYR A 38 0.459 -3.575 -0.851 1.00 0.00 O ATOM 607 CB TYR A 38 -1.549 -5.935 0.135 1.00 0.00 C ATOM 608 CG TYR A 38 -1.819 -7.181 0.945 1.00 0.00 C ATOM 609 CD1 TYR A 38 -2.169 -8.373 0.322 1.00 0.00 C ATOM 610 CD2 TYR A 38 -1.701 -7.176 2.328 1.00 0.00 C ATOM 611 CE1 TYR A 38 -2.400 -9.520 1.055 1.00 0.00 C ATOM 612 CE2 TYR A 38 -1.927 -8.320 3.068 1.00 0.00 C ATOM 613 CZ TYR A 38 -2.274 -9.490 2.426 1.00 0.00 C ATOM 614 OH TYR A 38 -2.496 -10.636 3.160 1.00 0.00 O ATOM 0 H TYR A 38 0.495 -5.116 1.512 1.00 0.00 H new ATOM 0 HA TYR A 38 0.120 -6.764 -0.903 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -1.777 -5.057 0.739 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -2.219 -5.913 -0.724 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -2.262 -8.403 -0.754 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -1.428 -6.262 2.834 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -2.678 -10.436 0.556 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -1.832 -8.298 4.144 1.00 0.00 H new ATOM 0 HH TYR A 38 -1.943 -10.619 3.969 1.00 0.00 H new ATOM 624 N ARG A 39 -0.157 -4.898 -2.568 1.00 0.00 N ATOM 625 CA ARG A 39 0.116 -3.898 -3.585 1.00 0.00 C ATOM 626 C ARG A 39 -1.007 -2.880 -3.692 1.00 0.00 C ATOM 627 O ARG A 39 -2.187 -3.224 -3.611 1.00 0.00 O ATOM 628 CB ARG A 39 0.307 -4.563 -4.950 1.00 0.00 C ATOM 629 CG ARG A 39 1.447 -5.563 -5.012 1.00 0.00 C ATOM 630 CD ARG A 39 1.560 -6.168 -6.403 1.00 0.00 C ATOM 631 NE ARG A 39 2.661 -7.121 -6.506 1.00 0.00 N ATOM 632 CZ ARG A 39 3.533 -7.140 -7.511 1.00 0.00 C ATOM 633 NH1 ARG A 39 3.467 -6.223 -8.476 1.00 0.00 N ATOM 634 NH2 ARG A 39 4.483 -8.065 -7.542 1.00 0.00 N ATOM 0 H ARG A 39 -0.545 -5.770 -2.927 1.00 0.00 H new ATOM 0 HA ARG A 39 1.029 -3.382 -3.287 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -0.618 -5.069 -5.225 1.00 0.00 H new ATOM 0 HB3 ARG A 39 0.480 -3.788 -5.696 1.00 0.00 H new ATOM 0 HG2 ARG A 39 2.383 -5.071 -4.747 1.00 0.00 H new ATOM 0 HG3 ARG A 39 1.284 -6.353 -4.279 1.00 0.00 H new ATOM 0 HD2 ARG A 39 0.625 -6.668 -6.656 1.00 0.00 H new ATOM 0 HD3 ARG A 39 1.703 -5.371 -7.133 1.00 0.00 H new ATOM 0 HE ARG A 39 2.768 -7.813 -5.764 1.00 0.00 H new ATOM 0 HH11 ARG A 39 2.746 -5.502 -8.446 1.00 0.00 H new ATOM 0 HH12 ARG A 39 4.138 -6.242 -9.244 1.00 0.00 H new ATOM 0 HH21 ARG A 39 4.544 -8.759 -6.797 1.00 0.00 H new ATOM 0 HH22 ARG A 39 5.153 -8.082 -8.311 1.00 0.00 H new ATOM 648 N ILE A 40 -0.633 -1.628 -3.872 1.00 0.00 N ATOM 649 CA ILE A 40 -1.584 -0.601 -4.237 1.00 0.00 C ATOM 650 C ILE A 40 -1.407 -0.300 -5.716 1.00 0.00 C ATOM 651 O ILE A 40 -0.380 0.245 -6.128 1.00 0.00 O ATOM 652 CB ILE A 40 -1.389 0.687 -3.408 1.00 0.00 C ATOM 653 CG1 ILE A 40 -1.539 0.380 -1.913 1.00 0.00 C ATOM 654 CG2 ILE A 40 -2.391 1.752 -3.839 1.00 0.00 C ATOM 655 CD1 ILE A 40 -1.246 1.561 -1.012 1.00 0.00 C ATOM 0 H ILE A 40 0.327 -1.299 -3.770 1.00 0.00 H new ATOM 0 HA ILE A 40 -2.592 -0.962 -4.031 1.00 0.00 H new ATOM 0 HB ILE A 40 -0.384 1.070 -3.585 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -2.555 0.034 -1.723 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -0.869 -0.439 -1.651 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -2.241 2.654 -3.246 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -2.245 1.983 -4.894 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -3.405 1.381 -3.686 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -1.374 1.265 0.029 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -0.221 1.895 -1.171 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.933 2.375 -1.244 1.00 0.00 H new ATOM 667 N ASP A 41 -2.396 -0.670 -6.511 1.00 0.00 N ATOM 668 CA ASP A 41 -2.273 -0.609 -7.957 1.00 0.00 C ATOM 669 C ASP A 41 -3.025 0.589 -8.521 1.00 0.00 C ATOM 670 O ASP A 41 -4.250 0.555 -8.669 1.00 0.00 O ATOM 671 CB ASP A 41 -2.787 -1.910 -8.577 1.00 0.00 C ATOM 672 CG ASP A 41 -2.574 -1.972 -10.075 1.00 0.00 C ATOM 673 OD1 ASP A 41 -1.412 -2.096 -10.514 1.00 0.00 O ATOM 674 OD2 ASP A 41 -3.573 -1.940 -10.821 1.00 0.00 O ATOM 0 H ASP A 41 -3.296 -1.017 -6.178 1.00 0.00 H new ATOM 0 HA ASP A 41 -1.220 -0.487 -8.210 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -2.282 -2.755 -8.108 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -3.850 -2.014 -8.361 1.00 0.00 H new ATOM 679 N ASP A 42 -2.276 1.658 -8.788 1.00 0.00 N ATOM 680 CA ASP A 42 -2.811 2.891 -9.376 1.00 0.00 C ATOM 681 C ASP A 42 -3.967 3.448 -8.542 1.00 0.00 C ATOM 682 O ASP A 42 -4.893 4.063 -9.063 1.00 0.00 O ATOM 683 CB ASP A 42 -3.257 2.636 -10.824 1.00 0.00 C ATOM 684 CG ASP A 42 -3.444 3.915 -11.623 1.00 0.00 C ATOM 685 OD1 ASP A 42 -2.430 4.565 -11.956 1.00 0.00 O ATOM 686 OD2 ASP A 42 -4.601 4.276 -11.922 1.00 0.00 O ATOM 0 H ASP A 42 -1.274 1.696 -8.602 1.00 0.00 H new ATOM 0 HA ASP A 42 -2.018 3.639 -9.380 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -2.517 2.009 -11.321 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -4.194 2.079 -10.817 1.00 0.00 H new ATOM 691 N GLY A 43 -3.907 3.233 -7.234 1.00 0.00 N ATOM 692 CA GLY A 43 -4.926 3.772 -6.350 1.00 0.00 C ATOM 693 C GLY A 43 -5.870 2.710 -5.819 1.00 0.00 C ATOM 694 O GLY A 43 -6.651 2.966 -4.902 1.00 0.00 O ATOM 0 H GLY A 43 -3.174 2.697 -6.769 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -4.443 4.274 -5.511 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -5.501 4.527 -6.885 1.00 0.00 H new ATOM 698 N ILE A 44 -5.813 1.516 -6.393 1.00 0.00 N ATOM 699 CA ILE A 44 -6.666 0.420 -5.950 1.00 0.00 C ATOM 700 C ILE A 44 -5.844 -0.633 -5.212 1.00 0.00 C ATOM 701 O ILE A 44 -4.943 -1.244 -5.785 1.00 0.00 O ATOM 702 CB ILE A 44 -7.412 -0.235 -7.138 1.00 0.00 C ATOM 703 CG1 ILE A 44 -8.265 0.808 -7.865 1.00 0.00 C ATOM 704 CG2 ILE A 44 -8.282 -1.388 -6.650 1.00 0.00 C ATOM 705 CD1 ILE A 44 -9.001 0.266 -9.070 1.00 0.00 C ATOM 0 H ILE A 44 -5.188 1.281 -7.164 1.00 0.00 H new ATOM 0 HA ILE A 44 -7.409 0.838 -5.270 1.00 0.00 H new ATOM 0 HB ILE A 44 -6.675 -0.632 -7.837 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -8.990 1.222 -7.165 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -7.624 1.630 -8.183 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -8.799 -1.837 -7.498 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -7.655 -2.138 -6.168 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -9.014 -1.014 -5.935 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -9.583 1.065 -9.531 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -8.282 -0.122 -9.792 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -9.670 -0.536 -8.757 1.00 0.00 H new ATOM 717 N PRO A 45 -6.125 -0.836 -3.917 1.00 0.00 N ATOM 718 CA PRO A 45 -5.419 -1.828 -3.102 1.00 0.00 C ATOM 719 C PRO A 45 -5.795 -3.263 -3.475 1.00 0.00 C ATOM 720 O PRO A 45 -6.961 -3.655 -3.400 1.00 0.00 O ATOM 721 CB PRO A 45 -5.872 -1.503 -1.677 1.00 0.00 C ATOM 722 CG PRO A 45 -7.207 -0.860 -1.839 1.00 0.00 C ATOM 723 CD PRO A 45 -7.156 -0.113 -3.144 1.00 0.00 C ATOM 0 HA PRO A 45 -4.339 -1.777 -3.240 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -5.938 -2.404 -1.068 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -5.168 -0.834 -1.181 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -8.001 -1.607 -1.849 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -7.416 -0.183 -1.011 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -8.121 -0.126 -3.652 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -6.887 0.933 -2.997 1.00 0.00 H new ATOM 731 N VAL A 46 -4.800 -4.038 -3.884 1.00 0.00 N ATOM 732 CA VAL A 46 -5.017 -5.431 -4.255 1.00 0.00 C ATOM 733 C VAL A 46 -4.767 -6.336 -3.056 1.00 0.00 C ATOM 734 O VAL A 46 -3.623 -6.648 -2.722 1.00 0.00 O ATOM 735 CB VAL A 46 -4.105 -5.858 -5.425 1.00 0.00 C ATOM 736 CG1 VAL A 46 -4.422 -7.282 -5.858 1.00 0.00 C ATOM 737 CG2 VAL A 46 -4.247 -4.892 -6.591 1.00 0.00 C ATOM 0 H VAL A 46 -3.833 -3.726 -3.968 1.00 0.00 H new ATOM 0 HA VAL A 46 -6.053 -5.528 -4.580 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.070 -5.830 -5.085 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -3.769 -7.565 -6.684 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -4.263 -7.961 -5.020 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -5.461 -7.341 -6.181 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -3.597 -5.208 -7.407 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -5.282 -4.885 -6.933 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -3.964 -3.890 -6.270 1.00 0.00 H new ATOM 747 N LEU A 47 -5.840 -6.740 -2.397 1.00 0.00 N ATOM 748 CA LEU A 47 -5.732 -7.561 -1.203 1.00 0.00 C ATOM 749 C LEU A 47 -5.844 -9.043 -1.543 1.00 0.00 C ATOM 750 O LEU A 47 -6.895 -9.658 -1.360 1.00 0.00 O ATOM 751 CB LEU A 47 -6.804 -7.161 -0.186 1.00 0.00 C ATOM 752 CG LEU A 47 -6.747 -5.704 0.279 1.00 0.00 C ATOM 753 CD1 LEU A 47 -7.923 -5.392 1.188 1.00 0.00 C ATOM 754 CD2 LEU A 47 -5.436 -5.422 0.994 1.00 0.00 C ATOM 0 H LEU A 47 -6.796 -6.513 -2.669 1.00 0.00 H new ATOM 0 HA LEU A 47 -4.749 -7.392 -0.762 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -7.785 -7.349 -0.623 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -6.714 -7.808 0.686 1.00 0.00 H new ATOM 0 HG LEU A 47 -6.806 -5.060 -0.599 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -7.868 -4.352 1.510 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -8.855 -5.555 0.647 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -7.891 -6.044 2.061 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -5.414 -4.381 1.317 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -5.348 -6.074 1.863 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -4.604 -5.609 0.315 1.00 0.00 H new ATOM 766 N LEU A 48 -4.760 -9.604 -2.068 1.00 0.00 N ATOM 767 CA LEU A 48 -4.694 -11.028 -2.375 1.00 0.00 C ATOM 768 C LEU A 48 -3.374 -11.594 -1.872 1.00 0.00 C ATOM 769 O LEU A 48 -2.347 -10.919 -1.924 1.00 0.00 O ATOM 770 CB LEU A 48 -4.836 -11.269 -3.884 1.00 0.00 C ATOM 771 CG LEU A 48 -6.190 -10.888 -4.488 1.00 0.00 C ATOM 772 CD1 LEU A 48 -6.162 -11.039 -6.000 1.00 0.00 C ATOM 773 CD2 LEU A 48 -7.302 -11.738 -3.895 1.00 0.00 C ATOM 0 H LEU A 48 -3.908 -9.089 -2.291 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.519 -11.534 -1.875 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -4.057 -10.707 -4.399 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -4.653 -12.325 -4.084 1.00 0.00 H new ATOM 0 HG LEU A 48 -6.387 -9.844 -4.246 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -7.133 -10.764 -6.411 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -5.394 -10.388 -6.417 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -5.939 -12.074 -6.258 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -8.255 -11.451 -4.338 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -7.107 -12.790 -4.104 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -7.342 -11.584 -2.817 1.00 0.00 H new ATOM 785 N ILE A 49 -3.400 -12.828 -1.391 1.00 0.00 N ATOM 786 CA ILE A 49 -2.232 -13.432 -0.756 1.00 0.00 C ATOM 787 C ILE A 49 -1.108 -13.687 -1.762 1.00 0.00 C ATOM 788 O ILE A 49 0.064 -13.436 -1.476 1.00 0.00 O ATOM 789 CB ILE A 49 -2.601 -14.758 -0.049 1.00 0.00 C ATOM 790 CG1 ILE A 49 -3.742 -14.524 0.947 1.00 0.00 C ATOM 791 CG2 ILE A 49 -1.386 -15.343 0.662 1.00 0.00 C ATOM 792 CD1 ILE A 49 -4.244 -15.788 1.615 1.00 0.00 C ATOM 0 H ILE A 49 -4.219 -13.435 -1.427 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.877 -12.718 -0.013 1.00 0.00 H new ATOM 0 HB ILE A 49 -2.933 -15.473 -0.802 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -3.403 -13.829 1.715 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -4.572 -14.045 0.427 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -1.666 -16.275 1.153 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -0.598 -15.538 -0.065 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.024 -14.634 1.407 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -5.050 -15.539 2.305 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -4.615 -16.478 0.857 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -3.428 -16.258 2.165 1.00 0.00 H new ATOM 804 N ASP A 50 -1.468 -14.172 -2.945 1.00 0.00 N ATOM 805 CA ASP A 50 -0.474 -14.508 -3.967 1.00 0.00 C ATOM 806 C ASP A 50 0.013 -13.258 -4.685 1.00 0.00 C ATOM 807 O ASP A 50 1.059 -13.275 -5.341 1.00 0.00 O ATOM 808 CB ASP A 50 -1.046 -15.499 -4.985 1.00 0.00 C ATOM 809 CG ASP A 50 -1.386 -16.835 -4.364 1.00 0.00 C ATOM 810 OD1 ASP A 50 -0.507 -17.720 -4.320 1.00 0.00 O ATOM 811 OD2 ASP A 50 -2.537 -17.010 -3.911 1.00 0.00 O ATOM 0 H ASP A 50 -2.435 -14.342 -3.223 1.00 0.00 H new ATOM 0 HA ASP A 50 0.371 -14.974 -3.460 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -1.942 -15.074 -5.437 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -0.324 -15.648 -5.788 1.00 0.00 H new ATOM 816 N GLU A 51 -0.743 -12.176 -4.552 1.00 0.00 N ATOM 817 CA GLU A 51 -0.392 -10.913 -5.187 1.00 0.00 C ATOM 818 C GLU A 51 0.464 -10.069 -4.249 1.00 0.00 C ATOM 819 O GLU A 51 0.976 -9.015 -4.631 1.00 0.00 O ATOM 820 CB GLU A 51 -1.653 -10.136 -5.559 1.00 0.00 C ATOM 821 CG GLU A 51 -2.596 -10.892 -6.475 1.00 0.00 C ATOM 822 CD GLU A 51 -1.963 -11.252 -7.802 1.00 0.00 C ATOM 823 OE1 GLU A 51 -1.656 -10.331 -8.585 1.00 0.00 O ATOM 824 OE2 GLU A 51 -1.788 -12.456 -8.079 1.00 0.00 O ATOM 0 H GLU A 51 -1.606 -12.148 -4.008 1.00 0.00 H new ATOM 0 HA GLU A 51 0.174 -11.132 -6.092 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -2.186 -9.870 -4.646 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -1.363 -9.203 -6.043 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -2.927 -11.803 -5.976 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -3.484 -10.286 -6.654 1.00 0.00 H new ATOM 831 N ALA A 52 0.609 -10.542 -3.019 1.00 0.00 N ATOM 832 CA ALA A 52 1.344 -9.814 -1.997 1.00 0.00 C ATOM 833 C ALA A 52 2.846 -10.002 -2.155 1.00 0.00 C ATOM 834 O ALA A 52 3.304 -10.882 -2.889 1.00 0.00 O ATOM 835 CB ALA A 52 0.900 -10.258 -0.611 1.00 0.00 C ATOM 0 H ALA A 52 0.224 -11.433 -2.704 1.00 0.00 H new ATOM 0 HA ALA A 52 1.124 -8.753 -2.118 1.00 0.00 H new ATOM 0 HB1 ALA A 52 1.458 -9.705 0.144 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -0.166 -10.063 -0.490 1.00 0.00 H new ATOM 0 HB3 ALA A 52 1.089 -11.325 -0.493 1.00 0.00 H new ATOM 841 N THR A 53 3.602 -9.161 -1.470 1.00 0.00 N ATOM 842 CA THR A 53 5.052 -9.226 -1.487 1.00 0.00 C ATOM 843 C THR A 53 5.578 -9.241 -0.051 1.00 0.00 C ATOM 844 O THR A 53 4.911 -8.752 0.858 1.00 0.00 O ATOM 845 CB THR A 53 5.639 -8.014 -2.242 1.00 0.00 C ATOM 846 OG1 THR A 53 4.911 -7.800 -3.457 1.00 0.00 O ATOM 847 CG2 THR A 53 7.109 -8.227 -2.572 1.00 0.00 C ATOM 0 H THR A 53 3.227 -8.414 -0.886 1.00 0.00 H new ATOM 0 HA THR A 53 5.358 -10.138 -2.000 1.00 0.00 H new ATOM 0 HB THR A 53 5.552 -7.142 -1.594 1.00 0.00 H new ATOM 0 HG1 THR A 53 5.286 -7.029 -3.932 1.00 0.00 H new ATOM 0 HG21 THR A 53 7.493 -7.356 -3.103 1.00 0.00 H new ATOM 0 HG22 THR A 53 7.673 -8.366 -1.649 1.00 0.00 H new ATOM 0 HG23 THR A 53 7.216 -9.111 -3.200 1.00 0.00 H new ATOM 855 N GLU A 54 6.748 -9.822 0.163 1.00 0.00 N ATOM 856 CA GLU A 54 7.345 -9.843 1.490 1.00 0.00 C ATOM 857 C GLU A 54 8.029 -8.511 1.765 1.00 0.00 C ATOM 858 O GLU A 54 8.838 -8.046 0.958 1.00 0.00 O ATOM 859 CB GLU A 54 8.344 -10.995 1.611 1.00 0.00 C ATOM 860 CG GLU A 54 8.988 -11.103 2.979 1.00 0.00 C ATOM 861 CD GLU A 54 9.901 -12.304 3.092 1.00 0.00 C ATOM 862 OE1 GLU A 54 9.414 -13.392 3.472 1.00 0.00 O ATOM 863 OE2 GLU A 54 11.105 -12.177 2.792 1.00 0.00 O ATOM 0 H GLU A 54 7.301 -10.283 -0.560 1.00 0.00 H new ATOM 0 HA GLU A 54 6.560 -9.998 2.230 1.00 0.00 H new ATOM 0 HB2 GLU A 54 7.834 -11.931 1.384 1.00 0.00 H new ATOM 0 HB3 GLU A 54 9.125 -10.867 0.861 1.00 0.00 H new ATOM 0 HG2 GLU A 54 9.558 -10.196 3.182 1.00 0.00 H new ATOM 0 HG3 GLU A 54 8.210 -11.168 3.740 1.00 0.00 H new ATOM 870 N TRP A 55 7.706 -7.899 2.894 1.00 0.00 N ATOM 871 CA TRP A 55 8.219 -6.575 3.201 1.00 0.00 C ATOM 872 C TRP A 55 8.566 -6.467 4.682 1.00 0.00 C ATOM 873 O TRP A 55 7.739 -6.761 5.544 1.00 0.00 O ATOM 874 CB TRP A 55 7.183 -5.516 2.816 1.00 0.00 C ATOM 875 CG TRP A 55 7.761 -4.151 2.591 1.00 0.00 C ATOM 876 CD1 TRP A 55 7.669 -3.068 3.419 1.00 0.00 C ATOM 877 CD2 TRP A 55 8.516 -3.719 1.451 1.00 0.00 C ATOM 878 NE1 TRP A 55 8.313 -1.990 2.859 1.00 0.00 N ATOM 879 CE2 TRP A 55 8.843 -2.365 1.653 1.00 0.00 C ATOM 880 CE3 TRP A 55 8.942 -4.346 0.276 1.00 0.00 C ATOM 881 CZ2 TRP A 55 9.582 -1.631 0.728 1.00 0.00 C ATOM 882 CZ3 TRP A 55 9.674 -3.615 -0.638 1.00 0.00 C ATOM 883 CH2 TRP A 55 9.984 -2.271 -0.410 1.00 0.00 C ATOM 0 H TRP A 55 7.095 -8.296 3.608 1.00 0.00 H new ATOM 0 HA TRP A 55 9.129 -6.406 2.625 1.00 0.00 H new ATOM 0 HB2 TRP A 55 6.671 -5.837 1.909 1.00 0.00 H new ATOM 0 HB3 TRP A 55 6.431 -5.456 3.602 1.00 0.00 H new ATOM 0 HD1 TRP A 55 7.164 -3.060 4.374 1.00 0.00 H new ATOM 0 HE1 TRP A 55 8.384 -1.061 3.274 1.00 0.00 H new ATOM 0 HE3 TRP A 55 8.703 -5.382 0.087 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 9.828 -0.594 0.904 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 10.014 -4.090 -1.546 1.00 0.00 H new ATOM 0 HH2 TRP A 55 10.553 -1.727 -1.149 1.00 0.00 H new ATOM 894 N THR A 56 9.791 -6.030 4.955 1.00 0.00 N ATOM 895 CA THR A 56 10.301 -5.899 6.312 1.00 0.00 C ATOM 896 C THR A 56 10.343 -7.249 7.042 1.00 0.00 C ATOM 897 O THR A 56 9.415 -7.617 7.767 1.00 0.00 O ATOM 898 CB THR A 56 9.478 -4.880 7.121 1.00 0.00 C ATOM 899 OG1 THR A 56 9.395 -3.640 6.401 1.00 0.00 O ATOM 900 CG2 THR A 56 10.103 -4.627 8.486 1.00 0.00 C ATOM 0 H THR A 56 10.460 -5.756 4.236 1.00 0.00 H new ATOM 0 HA THR A 56 11.324 -5.532 6.230 1.00 0.00 H new ATOM 0 HB THR A 56 8.480 -5.293 7.267 1.00 0.00 H new ATOM 0 HG1 THR A 56 8.848 -3.764 5.598 1.00 0.00 H new ATOM 0 HG21 THR A 56 9.500 -3.903 9.034 1.00 0.00 H new ATOM 0 HG22 THR A 56 10.146 -5.562 9.045 1.00 0.00 H new ATOM 0 HG23 THR A 56 11.112 -4.235 8.357 1.00 0.00 H new ATOM 908 N PRO A 57 11.415 -8.024 6.826 1.00 0.00 N ATOM 909 CA PRO A 57 11.655 -9.272 7.539 1.00 0.00 C ATOM 910 C PRO A 57 12.352 -9.019 8.874 1.00 0.00 C ATOM 911 O PRO A 57 12.726 -7.885 9.183 1.00 0.00 O ATOM 912 CB PRO A 57 12.573 -10.061 6.586 1.00 0.00 C ATOM 913 CG PRO A 57 12.859 -9.151 5.425 1.00 0.00 C ATOM 914 CD PRO A 57 12.477 -7.765 5.858 1.00 0.00 C ATOM 0 HA PRO A 57 10.734 -9.801 7.782 1.00 0.00 H new ATOM 0 HB2 PRO A 57 13.496 -10.352 7.088 1.00 0.00 H new ATOM 0 HB3 PRO A 57 12.089 -10.978 6.251 1.00 0.00 H new ATOM 0 HG2 PRO A 57 13.913 -9.194 5.150 1.00 0.00 H new ATOM 0 HG3 PRO A 57 12.288 -9.453 4.547 1.00 0.00 H new ATOM 0 HD2 PRO A 57 13.316 -7.233 6.307 1.00 0.00 H new ATOM 0 HD3 PRO A 57 12.127 -7.160 5.022 1.00 0.00 H new ATOM 922 N ASN A 58 12.533 -10.065 9.662 1.00 0.00 N ATOM 923 CA ASN A 58 13.188 -9.924 10.952 1.00 0.00 C ATOM 924 C ASN A 58 14.683 -10.142 10.829 1.00 0.00 C ATOM 925 O ASN A 58 15.140 -11.067 10.157 1.00 0.00 O ATOM 926 CB ASN A 58 12.607 -10.889 11.984 1.00 0.00 C ATOM 927 CG ASN A 58 11.324 -10.371 12.602 1.00 0.00 C ATOM 928 OD1 ASN A 58 10.227 -10.639 12.109 1.00 0.00 O ATOM 929 ND2 ASN A 58 11.451 -9.632 13.693 1.00 0.00 N ATOM 0 H ASN A 58 12.238 -11.015 9.434 1.00 0.00 H new ATOM 0 HA ASN A 58 13.007 -8.905 11.294 1.00 0.00 H new ATOM 0 HB2 ASN A 58 12.416 -11.852 11.510 1.00 0.00 H new ATOM 0 HB3 ASN A 58 13.342 -11.061 12.770 1.00 0.00 H new ATOM 0 HD21 ASN A 58 10.622 -9.261 14.157 1.00 0.00 H new ATOM 0 HD22 ASN A 58 12.378 -9.433 14.069 1.00 0.00 H new ATOM 936 N ASN A 59 15.430 -9.265 11.471 1.00 0.00 N ATOM 937 CA ASN A 59 16.881 -9.356 11.508 1.00 0.00 C ATOM 938 C ASN A 59 17.299 -10.197 12.717 1.00 0.00 C ATOM 939 O ASN A 59 16.451 -10.577 13.527 1.00 0.00 O ATOM 940 CB ASN A 59 17.479 -7.942 11.588 1.00 0.00 C ATOM 941 CG ASN A 59 18.987 -7.923 11.446 1.00 0.00 C ATOM 942 OD1 ASN A 59 19.572 -8.778 10.782 1.00 0.00 O ATOM 943 ND2 ASN A 59 19.626 -6.951 12.074 1.00 0.00 N ATOM 0 H ASN A 59 15.050 -8.468 11.982 1.00 0.00 H new ATOM 0 HA ASN A 59 17.253 -9.836 10.603 1.00 0.00 H new ATOM 0 HB2 ASN A 59 17.039 -7.324 10.806 1.00 0.00 H new ATOM 0 HB3 ASN A 59 17.205 -7.492 12.542 1.00 0.00 H new ATOM 0 HD21 ASN A 59 20.643 -6.890 12.018 1.00 0.00 H new ATOM 0 HD22 ASN A 59 19.102 -6.262 12.614 1.00 0.00 H new ATOM 950 N LEU A 60 18.596 -10.478 12.861 1.00 0.00 N ATOM 951 CA LEU A 60 19.076 -11.290 13.984 1.00 0.00 C ATOM 952 C LEU A 60 19.069 -10.487 15.282 1.00 0.00 C ATOM 953 O LEU A 60 19.544 -10.946 16.321 1.00 0.00 O ATOM 954 CB LEU A 60 20.482 -11.861 13.721 1.00 0.00 C ATOM 955 CG LEU A 60 21.653 -10.873 13.837 1.00 0.00 C ATOM 956 CD1 LEU A 60 22.959 -11.628 14.020 1.00 0.00 C ATOM 957 CD2 LEU A 60 21.743 -9.980 12.612 1.00 0.00 C ATOM 0 H LEU A 60 19.326 -10.160 12.223 1.00 0.00 H new ATOM 0 HA LEU A 60 18.388 -12.129 14.086 1.00 0.00 H new ATOM 0 HB2 LEU A 60 20.655 -12.679 14.420 1.00 0.00 H new ATOM 0 HB3 LEU A 60 20.495 -12.290 12.719 1.00 0.00 H new ATOM 0 HG LEU A 60 21.474 -10.242 14.708 1.00 0.00 H new ATOM 0 HD11 LEU A 60 23.782 -10.918 14.101 1.00 0.00 H new ATOM 0 HD12 LEU A 60 22.908 -12.229 14.928 1.00 0.00 H new ATOM 0 HD13 LEU A 60 23.126 -12.280 13.162 1.00 0.00 H new ATOM 0 HD21 LEU A 60 22.581 -9.292 12.724 1.00 0.00 H new ATOM 0 HD22 LEU A 60 21.894 -10.594 11.724 1.00 0.00 H new ATOM 0 HD23 LEU A 60 20.819 -9.412 12.507 1.00 0.00 H new ATOM 969 N GLU A 61 18.511 -9.295 15.205 1.00 0.00 N ATOM 970 CA GLU A 61 18.351 -8.437 16.362 1.00 0.00 C ATOM 971 C GLU A 61 16.956 -8.625 16.947 1.00 0.00 C ATOM 972 O GLU A 61 15.989 -8.004 16.504 1.00 0.00 O ATOM 973 CB GLU A 61 18.590 -6.974 15.982 1.00 0.00 C ATOM 974 CG GLU A 61 18.400 -6.002 17.135 1.00 0.00 C ATOM 975 CD GLU A 61 18.617 -4.564 16.720 1.00 0.00 C ATOM 976 OE1 GLU A 61 18.124 -4.170 15.641 1.00 0.00 O ATOM 977 OE2 GLU A 61 19.267 -3.814 17.477 1.00 0.00 O ATOM 0 H GLU A 61 18.155 -8.894 14.337 1.00 0.00 H new ATOM 0 HA GLU A 61 19.089 -8.711 17.116 1.00 0.00 H new ATOM 0 HB2 GLU A 61 19.603 -6.870 15.594 1.00 0.00 H new ATOM 0 HB3 GLU A 61 17.910 -6.702 15.174 1.00 0.00 H new ATOM 0 HG2 GLU A 61 17.393 -6.113 17.538 1.00 0.00 H new ATOM 0 HG3 GLU A 61 19.094 -6.254 17.937 1.00 0.00 H new TER 984 GLU A 61