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 180:sc= 0 USER MOD Set 1.2: A 27 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Set 2.1: A 13 CYS SG : rot 82:sc= 1.26 USER MOD Set 2.2: A 31 ASN : amide:sc= 1.21 K(o=2.5,f=-11!) USER MOD Set 3.1: A 1 MET CE :methyl 160:sc= -0.153 (180deg=-0.638) USER MOD Set 3.2: A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 GLN : amide:sc= -0.0633 X(o=-0.063,f=-0.00086) USER MOD Single : A 15 LYS NZ :NH3+ -161:sc= -0.0889 (180deg=-0.403) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -0.435 X(o=-0.44,f=-0.1) USER MOD Single : A 38 TYR OH : rot 180:sc= -0.154 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc=-0.00132 K(o=-0.0013,f=-0.56) USER MOD Single : A 59 ASN : amide:sc= 1.33 K(o=1.3,f=-5.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.941 12.959 -2.508 1.00 0.00 N ATOM 2 CA MET A 1 -2.991 14.094 -2.430 1.00 0.00 C ATOM 3 C MET A 1 -3.119 14.809 -1.088 1.00 0.00 C ATOM 4 O MET A 1 -2.173 14.849 -0.304 1.00 0.00 O ATOM 5 CB MET A 1 -3.243 15.078 -3.578 1.00 0.00 C ATOM 6 CG MET A 1 -2.302 16.269 -3.580 1.00 0.00 C ATOM 7 SD MET A 1 -2.600 17.389 -4.967 1.00 0.00 S ATOM 8 CE MET A 1 -4.268 17.935 -4.605 1.00 0.00 C ATOM 0 H1 MET A 1 -3.840 12.484 -3.428 1.00 0.00 H new ATOM 0 H2 MET A 1 -3.737 12.282 -1.745 1.00 0.00 H new ATOM 0 H3 MET A 1 -4.914 13.313 -2.406 1.00 0.00 H new ATOM 0 HA MET A 1 -1.978 13.701 -2.519 1.00 0.00 H new ATOM 0 HB2 MET A 1 -3.147 14.549 -4.526 1.00 0.00 H new ATOM 0 HB3 MET A 1 -4.270 15.438 -3.517 1.00 0.00 H new ATOM 0 HG2 MET A 1 -2.414 16.817 -2.645 1.00 0.00 H new ATOM 0 HG3 MET A 1 -1.272 15.914 -3.620 1.00 0.00 H new ATOM 0 HE1 MET A 1 -4.469 18.866 -5.135 1.00 0.00 H new ATOM 0 HE2 MET A 1 -4.978 17.174 -4.928 1.00 0.00 H new ATOM 0 HE3 MET A 1 -4.373 18.098 -3.532 1.00 0.00 H new ATOM 20 N SER A 2 -4.295 15.359 -0.826 1.00 0.00 N ATOM 21 CA SER A 2 -4.538 16.079 0.410 1.00 0.00 C ATOM 22 C SER A 2 -5.779 15.524 1.101 1.00 0.00 C ATOM 23 O SER A 2 -6.899 15.927 0.783 1.00 0.00 O ATOM 24 CB SER A 2 -4.719 17.570 0.120 1.00 0.00 C ATOM 25 OG SER A 2 -3.691 18.055 -0.730 1.00 0.00 O ATOM 0 H SER A 2 -5.096 15.319 -1.456 1.00 0.00 H new ATOM 0 HA SER A 2 -3.680 15.951 1.070 1.00 0.00 H new ATOM 0 HB2 SER A 2 -5.690 17.737 -0.347 1.00 0.00 H new ATOM 0 HB3 SER A 2 -4.715 18.129 1.056 1.00 0.00 H new ATOM 0 HG SER A 2 -3.831 19.010 -0.901 1.00 0.00 H new ATOM 31 N LEU A 3 -5.565 14.584 2.026 1.00 0.00 N ATOM 32 CA LEU A 3 -6.652 13.917 2.746 1.00 0.00 C ATOM 33 C LEU A 3 -7.692 13.368 1.770 1.00 0.00 C ATOM 34 O LEU A 3 -8.709 14.011 1.494 1.00 0.00 O ATOM 35 CB LEU A 3 -7.315 14.860 3.766 1.00 0.00 C ATOM 36 CG LEU A 3 -6.492 15.167 5.027 1.00 0.00 C ATOM 37 CD1 LEU A 3 -6.012 13.882 5.681 1.00 0.00 C ATOM 38 CD2 LEU A 3 -5.319 16.081 4.714 1.00 0.00 C ATOM 0 H LEU A 3 -4.635 14.265 2.296 1.00 0.00 H new ATOM 0 HA LEU A 3 -6.218 13.083 3.296 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -7.544 15.801 3.267 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -8.265 14.422 4.073 1.00 0.00 H new ATOM 0 HG LEU A 3 -7.142 15.690 5.729 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -5.431 14.122 6.572 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -6.872 13.273 5.961 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -5.388 13.328 4.980 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -4.758 16.278 5.627 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -4.667 15.600 3.984 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -5.689 17.021 4.305 1.00 0.00 H new ATOM 50 N ASP A 4 -7.425 12.183 1.245 1.00 0.00 N ATOM 51 CA ASP A 4 -8.244 11.620 0.181 1.00 0.00 C ATOM 52 C ASP A 4 -8.911 10.311 0.596 1.00 0.00 C ATOM 53 O ASP A 4 -8.326 9.235 0.454 1.00 0.00 O ATOM 54 CB ASP A 4 -7.422 11.410 -1.088 1.00 0.00 C ATOM 55 CG ASP A 4 -8.281 10.947 -2.241 1.00 0.00 C ATOM 56 OD1 ASP A 4 -9.088 11.757 -2.744 1.00 0.00 O ATOM 57 OD2 ASP A 4 -8.154 9.776 -2.647 1.00 0.00 O ATOM 0 H ASP A 4 -6.647 11.591 1.538 1.00 0.00 H new ATOM 0 HA ASP A 4 -9.034 12.343 -0.023 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -6.924 12.341 -1.357 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -6.641 10.674 -0.898 1.00 0.00 H new ATOM 62 N PRO A 5 -10.128 10.387 1.162 1.00 0.00 N ATOM 63 CA PRO A 5 -10.901 9.200 1.558 1.00 0.00 C ATOM 64 C PRO A 5 -11.371 8.380 0.352 1.00 0.00 C ATOM 65 O PRO A 5 -12.105 7.403 0.500 1.00 0.00 O ATOM 66 CB PRO A 5 -12.110 9.779 2.310 1.00 0.00 C ATOM 67 CG PRO A 5 -11.771 11.208 2.573 1.00 0.00 C ATOM 68 CD PRO A 5 -10.854 11.628 1.464 1.00 0.00 C ATOM 0 HA PRO A 5 -10.301 8.515 2.157 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -13.019 9.695 1.715 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -12.288 9.240 3.241 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -12.669 11.825 2.591 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -11.287 11.322 3.543 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -11.406 11.996 0.599 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -10.180 12.426 1.775 1.00 0.00 H new ATOM 76 N GLN A 6 -10.957 8.797 -0.838 1.00 0.00 N ATOM 77 CA GLN A 6 -11.254 8.062 -2.060 1.00 0.00 C ATOM 78 C GLN A 6 -10.334 6.853 -2.170 1.00 0.00 C ATOM 79 O GLN A 6 -10.790 5.728 -2.383 1.00 0.00 O ATOM 80 CB GLN A 6 -11.084 8.966 -3.283 1.00 0.00 C ATOM 81 CG GLN A 6 -12.078 10.115 -3.345 1.00 0.00 C ATOM 82 CD GLN A 6 -13.475 9.660 -3.713 1.00 0.00 C ATOM 83 OE1 GLN A 6 -13.827 9.616 -4.891 1.00 0.00 O ATOM 84 NE2 GLN A 6 -14.279 9.311 -2.721 1.00 0.00 N ATOM 0 H GLN A 6 -10.411 9.646 -0.983 1.00 0.00 H new ATOM 0 HA GLN A 6 -12.289 7.722 -2.023 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -10.073 9.373 -3.283 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -11.185 8.363 -4.185 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -12.107 10.618 -2.378 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -11.735 10.848 -4.075 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -13.951 9.361 -1.757 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -15.227 8.992 -2.921 1.00 0.00 H new ATOM 93 N LEU A 7 -9.037 7.095 -2.021 1.00 0.00 N ATOM 94 CA LEU A 7 -8.052 6.024 -2.021 1.00 0.00 C ATOM 95 C LEU A 7 -8.065 5.273 -0.693 1.00 0.00 C ATOM 96 O LEU A 7 -7.920 4.050 -0.655 1.00 0.00 O ATOM 97 CB LEU A 7 -6.650 6.587 -2.266 1.00 0.00 C ATOM 98 CG LEU A 7 -6.416 7.219 -3.641 1.00 0.00 C ATOM 99 CD1 LEU A 7 -5.041 7.865 -3.699 1.00 0.00 C ATOM 100 CD2 LEU A 7 -6.558 6.176 -4.736 1.00 0.00 C ATOM 0 H LEU A 7 -8.643 8.028 -1.898 1.00 0.00 H new ATOM 0 HA LEU A 7 -8.312 5.333 -2.823 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -6.442 7.336 -1.502 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -5.927 5.783 -2.129 1.00 0.00 H new ATOM 0 HG LEU A 7 -7.169 7.991 -3.800 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -4.889 8.310 -4.682 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -4.970 8.640 -2.935 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -4.276 7.109 -3.521 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -6.389 6.642 -5.707 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -5.826 5.384 -4.581 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -7.562 5.753 -4.707 1.00 0.00 H new ATOM 112 N LEU A 8 -8.250 6.011 0.392 1.00 0.00 N ATOM 113 CA LEU A 8 -8.131 5.444 1.729 1.00 0.00 C ATOM 114 C LEU A 8 -9.466 4.927 2.257 1.00 0.00 C ATOM 115 O LEU A 8 -10.386 5.700 2.524 1.00 0.00 O ATOM 116 CB LEU A 8 -7.562 6.487 2.693 1.00 0.00 C ATOM 117 CG LEU A 8 -6.192 7.051 2.307 1.00 0.00 C ATOM 118 CD1 LEU A 8 -5.754 8.114 3.303 1.00 0.00 C ATOM 119 CD2 LEU A 8 -5.160 5.935 2.230 1.00 0.00 C ATOM 0 H LEU A 8 -8.483 7.004 0.374 1.00 0.00 H new ATOM 0 HA LEU A 8 -7.452 4.594 1.661 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -8.269 7.313 2.768 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -7.487 6.040 3.684 1.00 0.00 H new ATOM 0 HG LEU A 8 -6.274 7.514 1.323 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -4.778 8.504 3.013 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -6.481 8.926 3.312 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -5.688 7.675 4.298 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -4.192 6.353 1.954 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -5.081 5.445 3.200 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -5.467 5.206 1.480 1.00 0.00 H new ATOM 131 N GLU A 9 -9.556 3.615 2.409 1.00 0.00 N ATOM 132 CA GLU A 9 -10.710 2.988 3.031 1.00 0.00 C ATOM 133 C GLU A 9 -10.216 2.008 4.096 1.00 0.00 C ATOM 134 O GLU A 9 -9.056 1.594 4.058 1.00 0.00 O ATOM 135 CB GLU A 9 -11.568 2.268 1.980 1.00 0.00 C ATOM 136 CG GLU A 9 -12.906 1.773 2.514 1.00 0.00 C ATOM 137 CD GLU A 9 -13.762 1.117 1.449 1.00 0.00 C ATOM 138 OE1 GLU A 9 -14.463 1.843 0.713 1.00 0.00 O ATOM 139 OE2 GLU A 9 -13.751 -0.128 1.356 1.00 0.00 O ATOM 0 H GLU A 9 -8.836 2.959 2.107 1.00 0.00 H new ATOM 0 HA GLU A 9 -11.336 3.748 3.497 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -11.749 2.946 1.146 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -11.008 1.420 1.586 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -12.728 1.060 3.320 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -13.452 2.612 2.945 1.00 0.00 H new ATOM 146 N VAL A 10 -11.077 1.660 5.046 1.00 0.00 N ATOM 147 CA VAL A 10 -10.690 0.756 6.125 1.00 0.00 C ATOM 148 C VAL A 10 -10.543 -0.670 5.600 1.00 0.00 C ATOM 149 O VAL A 10 -11.526 -1.396 5.447 1.00 0.00 O ATOM 150 CB VAL A 10 -11.709 0.777 7.283 1.00 0.00 C ATOM 151 CG1 VAL A 10 -11.216 -0.066 8.450 1.00 0.00 C ATOM 152 CG2 VAL A 10 -11.977 2.202 7.734 1.00 0.00 C ATOM 0 H VAL A 10 -12.042 1.987 5.092 1.00 0.00 H new ATOM 0 HA VAL A 10 -9.731 1.104 6.509 1.00 0.00 H new ATOM 0 HB VAL A 10 -12.643 0.348 6.921 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -11.950 -0.037 9.255 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -11.078 -1.096 8.122 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -10.267 0.331 8.810 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -12.698 2.195 8.551 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -11.047 2.657 8.074 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -12.379 2.778 6.900 1.00 0.00 H new ATOM 162 N LEU A 11 -9.309 -1.047 5.299 1.00 0.00 N ATOM 163 CA LEU A 11 -9.025 -2.355 4.728 1.00 0.00 C ATOM 164 C LEU A 11 -8.385 -3.267 5.769 1.00 0.00 C ATOM 165 O LEU A 11 -7.765 -2.793 6.725 1.00 0.00 O ATOM 166 CB LEU A 11 -8.094 -2.203 3.517 1.00 0.00 C ATOM 167 CG LEU A 11 -8.573 -1.223 2.439 1.00 0.00 C ATOM 168 CD1 LEU A 11 -7.558 -1.126 1.313 1.00 0.00 C ATOM 169 CD2 LEU A 11 -9.936 -1.635 1.899 1.00 0.00 C ATOM 0 H LEU A 11 -8.485 -0.463 5.442 1.00 0.00 H new ATOM 0 HA LEU A 11 -9.963 -2.806 4.405 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -7.116 -1.878 3.871 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -7.958 -3.183 3.059 1.00 0.00 H new ATOM 0 HG LEU A 11 -8.673 -0.239 2.896 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -7.917 -0.426 0.559 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -6.606 -0.774 1.711 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -7.422 -2.108 0.860 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -10.255 -0.925 1.136 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -9.868 -2.631 1.462 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -10.662 -1.644 2.712 1.00 0.00 H new ATOM 181 N ALA A 12 -8.526 -4.570 5.584 1.00 0.00 N ATOM 182 CA ALA A 12 -7.973 -5.539 6.518 1.00 0.00 C ATOM 183 C ALA A 12 -7.194 -6.626 5.782 1.00 0.00 C ATOM 184 O ALA A 12 -7.199 -6.681 4.552 1.00 0.00 O ATOM 185 CB ALA A 12 -9.081 -6.149 7.363 1.00 0.00 C ATOM 0 H ALA A 12 -9.020 -4.982 4.793 1.00 0.00 H new ATOM 0 HA ALA A 12 -7.278 -5.020 7.178 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -8.653 -6.872 8.057 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -9.586 -5.362 7.924 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -9.799 -6.650 6.714 1.00 0.00 H new ATOM 191 N CYS A 13 -6.529 -7.483 6.540 1.00 0.00 N ATOM 192 CA CYS A 13 -5.712 -8.541 5.967 1.00 0.00 C ATOM 193 C CYS A 13 -6.552 -9.789 5.702 1.00 0.00 C ATOM 194 O CYS A 13 -7.216 -10.295 6.605 1.00 0.00 O ATOM 195 CB CYS A 13 -4.566 -8.882 6.916 1.00 0.00 C ATOM 196 SG CYS A 13 -3.642 -7.443 7.497 1.00 0.00 S ATOM 0 H CYS A 13 -6.539 -7.466 7.560 1.00 0.00 H new ATOM 0 HA CYS A 13 -5.306 -8.189 5.019 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -4.968 -9.415 7.778 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -3.880 -9.562 6.411 1.00 0.00 H new ATOM 0 HG CYS A 13 -4.275 -6.893 8.490 1.00 0.00 H new ATOM 202 N PRO A 14 -6.522 -10.307 4.464 1.00 0.00 N ATOM 203 CA PRO A 14 -7.284 -11.502 4.073 1.00 0.00 C ATOM 204 C PRO A 14 -6.656 -12.806 4.585 1.00 0.00 C ATOM 205 O PRO A 14 -6.549 -13.789 3.850 1.00 0.00 O ATOM 206 CB PRO A 14 -7.242 -11.450 2.545 1.00 0.00 C ATOM 207 CG PRO A 14 -5.968 -10.746 2.225 1.00 0.00 C ATOM 208 CD PRO A 14 -5.745 -9.754 3.335 1.00 0.00 C ATOM 0 HA PRO A 14 -8.289 -11.499 4.494 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -7.260 -12.451 2.114 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -8.102 -10.914 2.143 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -5.139 -11.451 2.161 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -6.033 -10.243 1.260 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -4.688 -9.663 3.584 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -6.094 -8.759 3.058 1.00 0.00 H new ATOM 216 N LYS A 15 -6.262 -12.813 5.852 1.00 0.00 N ATOM 217 CA LYS A 15 -5.689 -13.999 6.476 1.00 0.00 C ATOM 218 C LYS A 15 -5.854 -13.940 7.992 1.00 0.00 C ATOM 219 O LYS A 15 -6.692 -14.642 8.558 1.00 0.00 O ATOM 220 CB LYS A 15 -4.208 -14.156 6.101 1.00 0.00 C ATOM 221 CG LYS A 15 -3.527 -15.336 6.781 1.00 0.00 C ATOM 222 CD LYS A 15 -2.163 -15.631 6.179 1.00 0.00 C ATOM 223 CE LYS A 15 -2.281 -16.271 4.804 1.00 0.00 C ATOM 224 NZ LYS A 15 -2.966 -17.591 4.862 1.00 0.00 N ATOM 0 H LYS A 15 -6.329 -12.005 6.471 1.00 0.00 H new ATOM 0 HA LYS A 15 -6.227 -14.871 6.103 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -4.126 -14.274 5.020 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -3.677 -13.241 6.363 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -3.416 -15.127 7.845 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -4.160 -16.219 6.694 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -1.592 -14.706 6.102 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -1.608 -16.294 6.843 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -2.832 -15.605 4.140 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -1.287 -16.397 4.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -2.750 -18.132 4.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -2.634 -18.118 5.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -3.994 -17.446 4.931 1.00 0.00 H new ATOM 238 N ASP A 16 -5.068 -13.086 8.642 1.00 0.00 N ATOM 239 CA ASP A 16 -5.129 -12.938 10.095 1.00 0.00 C ATOM 240 C ASP A 16 -6.113 -11.836 10.463 1.00 0.00 C ATOM 241 O ASP A 16 -6.593 -11.769 11.599 1.00 0.00 O ATOM 242 CB ASP A 16 -3.744 -12.599 10.661 1.00 0.00 C ATOM 243 CG ASP A 16 -3.360 -11.148 10.430 1.00 0.00 C ATOM 244 OD1 ASP A 16 -3.463 -10.680 9.279 1.00 0.00 O ATOM 245 OD2 ASP A 16 -2.986 -10.464 11.408 1.00 0.00 O ATOM 0 H ASP A 16 -4.381 -12.485 8.186 1.00 0.00 H new ATOM 0 HA ASP A 16 -5.463 -13.883 10.524 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -3.731 -12.809 11.731 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -2.998 -13.247 10.200 1.00 0.00 H new ATOM 250 N LYS A 17 -6.392 -10.973 9.486 1.00 0.00 N ATOM 251 CA LYS A 17 -7.278 -9.827 9.664 1.00 0.00 C ATOM 252 C LYS A 17 -6.735 -8.909 10.758 1.00 0.00 C ATOM 253 O LYS A 17 -7.451 -8.505 11.681 1.00 0.00 O ATOM 254 CB LYS A 17 -8.707 -10.295 9.962 1.00 0.00 C ATOM 255 CG LYS A 17 -9.753 -9.194 9.857 1.00 0.00 C ATOM 256 CD LYS A 17 -11.148 -9.766 9.668 1.00 0.00 C ATOM 257 CE LYS A 17 -11.514 -10.743 10.773 1.00 0.00 C ATOM 258 NZ LYS A 17 -12.813 -11.413 10.514 1.00 0.00 N ATOM 0 H LYS A 17 -6.007 -11.051 8.545 1.00 0.00 H new ATOM 0 HA LYS A 17 -7.314 -9.252 8.739 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -8.967 -11.097 9.271 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -8.738 -10.717 10.966 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -9.729 -8.581 10.758 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -9.511 -8.539 9.020 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -11.874 -8.953 9.647 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -11.206 -10.270 8.703 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -10.730 -11.495 10.867 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -11.563 -10.213 11.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -13.025 -12.071 11.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -13.566 -10.698 10.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -12.759 -11.940 9.619 1.00 0.00 H new ATOM 272 N GLY A 18 -5.449 -8.603 10.652 1.00 0.00 N ATOM 273 CA GLY A 18 -4.823 -7.676 11.569 1.00 0.00 C ATOM 274 C GLY A 18 -4.679 -6.290 10.970 1.00 0.00 C ATOM 275 O GLY A 18 -5.126 -6.051 9.844 1.00 0.00 O ATOM 0 H GLY A 18 -4.825 -8.985 9.941 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -5.414 -7.616 12.483 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -3.840 -8.053 11.850 1.00 0.00 H new ATOM 279 N PRO A 19 -4.061 -5.352 11.703 1.00 0.00 N ATOM 280 CA PRO A 19 -3.903 -3.968 11.249 1.00 0.00 C ATOM 281 C PRO A 19 -2.846 -3.812 10.157 1.00 0.00 C ATOM 282 O PRO A 19 -1.719 -4.297 10.283 1.00 0.00 O ATOM 283 CB PRO A 19 -3.478 -3.226 12.518 1.00 0.00 C ATOM 284 CG PRO A 19 -2.797 -4.258 13.352 1.00 0.00 C ATOM 285 CD PRO A 19 -3.479 -5.567 13.042 1.00 0.00 C ATOM 0 HA PRO A 19 -4.819 -3.588 10.798 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -2.807 -2.399 12.287 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -4.339 -2.803 13.036 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -1.734 -4.308 13.118 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -2.879 -4.018 14.412 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -2.772 -6.396 13.042 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -4.247 -5.802 13.779 1.00 0.00 H new ATOM 293 N LEU A 20 -3.226 -3.138 9.081 1.00 0.00 N ATOM 294 CA LEU A 20 -2.310 -2.839 7.987 1.00 0.00 C ATOM 295 C LEU A 20 -1.574 -1.527 8.237 1.00 0.00 C ATOM 296 O LEU A 20 -2.194 -0.501 8.525 1.00 0.00 O ATOM 297 CB LEU A 20 -3.068 -2.753 6.662 1.00 0.00 C ATOM 298 CG LEU A 20 -3.561 -4.091 6.100 1.00 0.00 C ATOM 299 CD1 LEU A 20 -4.489 -3.868 4.918 1.00 0.00 C ATOM 300 CD2 LEU A 20 -2.379 -4.954 5.681 1.00 0.00 C ATOM 0 H LEU A 20 -4.172 -2.784 8.941 1.00 0.00 H new ATOM 0 HA LEU A 20 -1.581 -3.648 7.933 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.927 -2.096 6.796 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.420 -2.284 5.922 1.00 0.00 H new ATOM 0 HG LEU A 20 -4.117 -4.607 6.883 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -4.827 -4.831 4.534 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -5.351 -3.282 5.237 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.956 -3.332 4.133 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.743 -5.901 5.284 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.804 -4.436 4.914 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.742 -5.144 6.545 1.00 0.00 H new ATOM 312 N ARG A 21 -0.257 -1.572 8.131 1.00 0.00 N ATOM 313 CA ARG A 21 0.570 -0.383 8.261 1.00 0.00 C ATOM 314 C ARG A 21 0.741 0.255 6.888 1.00 0.00 C ATOM 315 O ARG A 21 1.317 -0.354 5.985 1.00 0.00 O ATOM 316 CB ARG A 21 1.928 -0.769 8.853 1.00 0.00 C ATOM 317 CG ARG A 21 2.844 0.400 9.179 1.00 0.00 C ATOM 318 CD ARG A 21 4.156 -0.094 9.774 1.00 0.00 C ATOM 319 NE ARG A 21 5.032 0.997 10.198 1.00 0.00 N ATOM 320 CZ ARG A 21 6.174 0.817 10.860 1.00 0.00 C ATOM 321 NH1 ARG A 21 6.585 -0.408 11.173 1.00 0.00 N ATOM 322 NH2 ARG A 21 6.901 1.861 11.224 1.00 0.00 N ATOM 0 H ARG A 21 0.268 -2.429 7.953 1.00 0.00 H new ATOM 0 HA ARG A 21 0.094 0.336 8.928 1.00 0.00 H new ATOM 0 HB2 ARG A 21 1.760 -1.344 9.764 1.00 0.00 H new ATOM 0 HB3 ARG A 21 2.440 -1.427 8.150 1.00 0.00 H new ATOM 0 HG2 ARG A 21 3.043 0.976 8.275 1.00 0.00 H new ATOM 0 HG3 ARG A 21 2.350 1.071 9.882 1.00 0.00 H new ATOM 0 HD2 ARG A 21 3.943 -0.736 10.629 1.00 0.00 H new ATOM 0 HD3 ARG A 21 4.676 -0.706 9.037 1.00 0.00 H new ATOM 0 HE ARG A 21 4.752 1.952 9.974 1.00 0.00 H new ATOM 0 HH11 ARG A 21 6.025 -1.218 10.906 1.00 0.00 H new ATOM 0 HH12 ARG A 21 7.460 -0.538 11.680 1.00 0.00 H new ATOM 0 HH21 ARG A 21 6.587 2.805 10.998 1.00 0.00 H new ATOM 0 HH22 ARG A 21 7.775 1.722 11.731 1.00 0.00 H new ATOM 336 N TYR A 22 0.229 1.466 6.725 1.00 0.00 N ATOM 337 CA TYR A 22 0.201 2.110 5.418 1.00 0.00 C ATOM 338 C TYR A 22 1.418 3.009 5.217 1.00 0.00 C ATOM 339 O TYR A 22 1.788 3.783 6.098 1.00 0.00 O ATOM 340 CB TYR A 22 -1.093 2.915 5.257 1.00 0.00 C ATOM 341 CG TYR A 22 -1.201 3.658 3.942 1.00 0.00 C ATOM 342 CD1 TYR A 22 -1.058 2.997 2.728 1.00 0.00 C ATOM 343 CD2 TYR A 22 -1.445 5.023 3.919 1.00 0.00 C ATOM 344 CE1 TYR A 22 -1.155 3.676 1.531 1.00 0.00 C ATOM 345 CE2 TYR A 22 -1.544 5.709 2.727 1.00 0.00 C ATOM 346 CZ TYR A 22 -1.398 5.034 1.537 1.00 0.00 C ATOM 347 OH TYR A 22 -1.495 5.718 0.347 1.00 0.00 O ATOM 0 H TYR A 22 -0.172 2.023 7.480 1.00 0.00 H new ATOM 0 HA TYR A 22 0.233 1.333 4.655 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -1.943 2.239 5.350 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -1.166 3.633 6.074 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -0.868 1.934 2.721 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -1.559 5.558 4.850 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -1.041 3.148 0.596 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -1.735 6.772 2.727 1.00 0.00 H new ATOM 0 HH TYR A 22 -1.669 6.665 0.527 1.00 0.00 H new ATOM 357 N LEU A 23 2.049 2.868 4.059 1.00 0.00 N ATOM 358 CA LEU A 23 3.156 3.728 3.667 1.00 0.00 C ATOM 359 C LEU A 23 2.730 4.616 2.501 1.00 0.00 C ATOM 360 O LEU A 23 2.595 4.143 1.371 1.00 0.00 O ATOM 361 CB LEU A 23 4.386 2.899 3.266 1.00 0.00 C ATOM 362 CG LEU A 23 5.143 2.213 4.416 1.00 0.00 C ATOM 363 CD1 LEU A 23 4.350 1.047 4.996 1.00 0.00 C ATOM 364 CD2 LEU A 23 6.508 1.741 3.941 1.00 0.00 C ATOM 0 H LEU A 23 1.809 2.157 3.368 1.00 0.00 H new ATOM 0 HA LEU A 23 3.426 4.348 4.521 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.068 2.133 2.559 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.082 3.551 2.738 1.00 0.00 H new ATOM 0 HG LEU A 23 5.277 2.948 5.210 1.00 0.00 H new ATOM 0 HD11 LEU A 23 4.917 0.588 5.806 1.00 0.00 H new ATOM 0 HD12 LEU A 23 3.397 1.411 5.381 1.00 0.00 H new ATOM 0 HD13 LEU A 23 4.167 0.308 4.216 1.00 0.00 H new ATOM 0 HD21 LEU A 23 7.033 1.257 4.765 1.00 0.00 H new ATOM 0 HD22 LEU A 23 6.383 1.031 3.124 1.00 0.00 H new ATOM 0 HD23 LEU A 23 7.088 2.596 3.593 1.00 0.00 H new ATOM 376 N GLU A 24 2.514 5.899 2.780 1.00 0.00 N ATOM 377 CA GLU A 24 2.030 6.847 1.775 1.00 0.00 C ATOM 378 C GLU A 24 3.033 7.034 0.637 1.00 0.00 C ATOM 379 O GLU A 24 2.652 7.353 -0.486 1.00 0.00 O ATOM 380 CB GLU A 24 1.737 8.218 2.403 1.00 0.00 C ATOM 381 CG GLU A 24 0.644 8.214 3.465 1.00 0.00 C ATOM 382 CD GLU A 24 1.140 7.792 4.832 1.00 0.00 C ATOM 383 OE1 GLU A 24 1.173 6.580 5.114 1.00 0.00 O ATOM 384 OE2 GLU A 24 1.497 8.677 5.637 1.00 0.00 O ATOM 0 H GLU A 24 2.667 6.310 3.701 1.00 0.00 H new ATOM 0 HA GLU A 24 1.111 6.423 1.370 1.00 0.00 H new ATOM 0 HB2 GLU A 24 2.655 8.602 2.848 1.00 0.00 H new ATOM 0 HB3 GLU A 24 1.452 8.911 1.611 1.00 0.00 H new ATOM 0 HG2 GLU A 24 0.211 9.212 3.535 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -0.155 7.541 3.152 1.00 0.00 H new ATOM 391 N SER A 25 4.307 6.832 0.934 1.00 0.00 N ATOM 392 CA SER A 25 5.370 7.094 -0.032 1.00 0.00 C ATOM 393 C SER A 25 5.353 6.104 -1.201 1.00 0.00 C ATOM 394 O SER A 25 5.664 6.472 -2.338 1.00 0.00 O ATOM 395 CB SER A 25 6.728 7.049 0.668 1.00 0.00 C ATOM 396 OG SER A 25 6.748 7.914 1.791 1.00 0.00 O ATOM 0 H SER A 25 4.634 6.487 1.837 1.00 0.00 H new ATOM 0 HA SER A 25 5.197 8.087 -0.446 1.00 0.00 H new ATOM 0 HB2 SER A 25 6.944 6.029 0.986 1.00 0.00 H new ATOM 0 HB3 SER A 25 7.512 7.337 -0.032 1.00 0.00 H new ATOM 0 HG SER A 25 7.626 7.868 2.224 1.00 0.00 H new ATOM 402 N GLU A 26 4.985 4.854 -0.933 1.00 0.00 N ATOM 403 CA GLU A 26 5.052 3.812 -1.957 1.00 0.00 C ATOM 404 C GLU A 26 3.705 3.114 -2.148 1.00 0.00 C ATOM 405 O GLU A 26 3.613 2.134 -2.889 1.00 0.00 O ATOM 406 CB GLU A 26 6.135 2.787 -1.599 1.00 0.00 C ATOM 407 CG GLU A 26 7.539 3.374 -1.554 1.00 0.00 C ATOM 408 CD GLU A 26 8.599 2.344 -1.218 1.00 0.00 C ATOM 409 OE1 GLU A 26 8.915 1.503 -2.087 1.00 0.00 O ATOM 410 OE2 GLU A 26 9.123 2.373 -0.084 1.00 0.00 O ATOM 0 H GLU A 26 4.641 4.539 -0.026 1.00 0.00 H new ATOM 0 HA GLU A 26 5.309 4.293 -2.901 1.00 0.00 H new ATOM 0 HB2 GLU A 26 5.902 2.349 -0.628 1.00 0.00 H new ATOM 0 HB3 GLU A 26 6.112 1.977 -2.328 1.00 0.00 H new ATOM 0 HG2 GLU A 26 7.770 3.824 -2.519 1.00 0.00 H new ATOM 0 HG3 GLU A 26 7.569 4.174 -0.814 1.00 0.00 H new ATOM 417 N GLN A 27 2.665 3.636 -1.494 1.00 0.00 N ATOM 418 CA GLN A 27 1.321 3.053 -1.570 1.00 0.00 C ATOM 419 C GLN A 27 1.335 1.577 -1.183 1.00 0.00 C ATOM 420 O GLN A 27 0.851 0.719 -1.925 1.00 0.00 O ATOM 421 CB GLN A 27 0.721 3.228 -2.970 1.00 0.00 C ATOM 422 CG GLN A 27 -0.246 4.395 -3.084 1.00 0.00 C ATOM 423 CD GLN A 27 0.407 5.739 -2.833 1.00 0.00 C ATOM 424 OE1 GLN A 27 1.586 5.936 -3.119 1.00 0.00 O ATOM 425 NE2 GLN A 27 -0.358 6.666 -2.288 1.00 0.00 N ATOM 0 H GLN A 27 2.727 4.465 -0.903 1.00 0.00 H new ATOM 0 HA GLN A 27 0.694 3.588 -0.857 1.00 0.00 H new ATOM 0 HB2 GLN A 27 1.530 3.368 -3.687 1.00 0.00 H new ATOM 0 HB3 GLN A 27 0.203 2.311 -3.250 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -0.690 4.394 -4.079 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -1.059 4.255 -2.372 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -1.332 6.458 -2.067 1.00 0.00 H new ATOM 0 HE22 GLN A 27 0.025 7.590 -2.088 1.00 0.00 H new ATOM 434 N LEU A 28 1.887 1.291 -0.014 1.00 0.00 N ATOM 435 CA LEU A 28 1.993 -0.079 0.457 1.00 0.00 C ATOM 436 C LEU A 28 1.231 -0.274 1.755 1.00 0.00 C ATOM 437 O LEU A 28 1.254 0.587 2.637 1.00 0.00 O ATOM 438 CB LEU A 28 3.459 -0.470 0.667 1.00 0.00 C ATOM 439 CG LEU A 28 4.317 -0.512 -0.596 1.00 0.00 C ATOM 440 CD1 LEU A 28 5.769 -0.798 -0.240 1.00 0.00 C ATOM 441 CD2 LEU A 28 3.791 -1.559 -1.566 1.00 0.00 C ATOM 0 H LEU A 28 2.268 1.989 0.625 1.00 0.00 H new ATOM 0 HA LEU A 28 1.555 -0.720 -0.308 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.908 0.235 1.367 1.00 0.00 H new ATOM 0 HB3 LEU A 28 3.491 -1.452 1.139 1.00 0.00 H new ATOM 0 HG LEU A 28 4.264 0.462 -1.082 1.00 0.00 H new ATOM 0 HD11 LEU A 28 6.368 -0.825 -1.150 1.00 0.00 H new ATOM 0 HD12 LEU A 28 6.144 -0.014 0.418 1.00 0.00 H new ATOM 0 HD13 LEU A 28 5.836 -1.760 0.267 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.415 -1.574 -2.459 1.00 0.00 H new ATOM 0 HD22 LEU A 28 3.814 -2.540 -1.091 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.766 -1.315 -1.844 1.00 0.00 H new ATOM 453 N LEU A 29 0.552 -1.402 1.858 1.00 0.00 N ATOM 454 CA LEU A 29 -0.087 -1.810 3.095 1.00 0.00 C ATOM 455 C LEU A 29 0.662 -3.006 3.649 1.00 0.00 C ATOM 456 O LEU A 29 0.582 -4.102 3.103 1.00 0.00 O ATOM 457 CB LEU A 29 -1.554 -2.179 2.849 1.00 0.00 C ATOM 458 CG LEU A 29 -2.454 -1.028 2.400 1.00 0.00 C ATOM 459 CD1 LEU A 29 -3.810 -1.559 1.963 1.00 0.00 C ATOM 460 CD2 LEU A 29 -2.622 -0.024 3.526 1.00 0.00 C ATOM 0 H LEU A 29 0.428 -2.060 1.088 1.00 0.00 H new ATOM 0 HA LEU A 29 -0.062 -0.986 3.808 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.592 -2.963 2.093 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -1.964 -2.601 3.767 1.00 0.00 H new ATOM 0 HG LEU A 29 -1.985 -0.528 1.552 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -4.441 -0.729 1.646 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -3.679 -2.253 1.133 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -4.284 -2.077 2.797 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -3.265 0.791 3.194 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -3.075 -0.515 4.387 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -1.647 0.374 3.807 1.00 0.00 H new ATOM 472 N VAL A 30 1.390 -2.798 4.726 1.00 0.00 N ATOM 473 CA VAL A 30 2.272 -3.826 5.245 1.00 0.00 C ATOM 474 C VAL A 30 1.783 -4.356 6.583 1.00 0.00 C ATOM 475 O VAL A 30 1.556 -3.594 7.521 1.00 0.00 O ATOM 476 CB VAL A 30 3.719 -3.299 5.412 1.00 0.00 C ATOM 477 CG1 VAL A 30 4.657 -4.415 5.852 1.00 0.00 C ATOM 478 CG2 VAL A 30 4.217 -2.656 4.126 1.00 0.00 C ATOM 0 H VAL A 30 1.390 -1.929 5.259 1.00 0.00 H new ATOM 0 HA VAL A 30 2.267 -4.636 4.516 1.00 0.00 H new ATOM 0 HB VAL A 30 3.708 -2.536 6.191 1.00 0.00 H new ATOM 0 HG11 VAL A 30 5.667 -4.019 5.962 1.00 0.00 H new ATOM 0 HG12 VAL A 30 4.319 -4.819 6.806 1.00 0.00 H new ATOM 0 HG13 VAL A 30 4.657 -5.207 5.103 1.00 0.00 H new ATOM 0 HG21 VAL A 30 5.235 -2.294 4.271 1.00 0.00 H new ATOM 0 HG22 VAL A 30 4.204 -3.392 3.322 1.00 0.00 H new ATOM 0 HG23 VAL A 30 3.569 -1.820 3.863 1.00 0.00 H new ATOM 488 N ASN A 31 1.612 -5.661 6.664 1.00 0.00 N ATOM 489 CA ASN A 31 1.339 -6.305 7.933 1.00 0.00 C ATOM 490 C ASN A 31 2.662 -6.811 8.488 1.00 0.00 C ATOM 491 O ASN A 31 3.280 -7.709 7.920 1.00 0.00 O ATOM 492 CB ASN A 31 0.341 -7.459 7.745 1.00 0.00 C ATOM 493 CG ASN A 31 -0.071 -8.127 9.052 1.00 0.00 C ATOM 494 OD1 ASN A 31 0.685 -8.157 10.017 1.00 0.00 O ATOM 495 ND2 ASN A 31 -1.277 -8.675 9.085 1.00 0.00 N ATOM 0 H ASN A 31 1.657 -6.295 5.867 1.00 0.00 H new ATOM 0 HA ASN A 31 0.888 -5.600 8.632 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -0.550 -7.080 7.243 1.00 0.00 H new ATOM 0 HB3 ASN A 31 0.783 -8.207 7.087 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -1.603 -9.141 9.932 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -1.880 -8.631 8.263 1.00 0.00 H new ATOM 502 N GLU A 32 3.088 -6.235 9.602 1.00 0.00 N ATOM 503 CA GLU A 32 4.399 -6.532 10.166 1.00 0.00 C ATOM 504 C GLU A 32 4.345 -7.812 10.994 1.00 0.00 C ATOM 505 O GLU A 32 5.370 -8.399 11.333 1.00 0.00 O ATOM 506 CB GLU A 32 4.879 -5.354 11.020 1.00 0.00 C ATOM 507 CG GLU A 32 6.339 -5.439 11.419 1.00 0.00 C ATOM 508 CD GLU A 32 6.761 -4.281 12.299 1.00 0.00 C ATOM 509 OE1 GLU A 32 7.165 -3.229 11.761 1.00 0.00 O ATOM 510 OE2 GLU A 32 6.689 -4.419 13.539 1.00 0.00 O ATOM 0 H GLU A 32 2.544 -5.557 10.136 1.00 0.00 H new ATOM 0 HA GLU A 32 5.108 -6.684 9.352 1.00 0.00 H new ATOM 0 HB2 GLU A 32 4.717 -4.428 10.468 1.00 0.00 H new ATOM 0 HB3 GLU A 32 4.269 -5.299 11.921 1.00 0.00 H new ATOM 0 HG2 GLU A 32 6.516 -6.377 11.946 1.00 0.00 H new ATOM 0 HG3 GLU A 32 6.958 -5.456 10.522 1.00 0.00 H new ATOM 517 N ARG A 33 3.134 -8.252 11.286 1.00 0.00 N ATOM 518 CA ARG A 33 2.925 -9.456 12.074 1.00 0.00 C ATOM 519 C ARG A 33 3.096 -10.680 11.182 1.00 0.00 C ATOM 520 O ARG A 33 3.627 -11.706 11.608 1.00 0.00 O ATOM 521 CB ARG A 33 1.528 -9.430 12.698 1.00 0.00 C ATOM 522 CG ARG A 33 1.153 -8.068 13.257 1.00 0.00 C ATOM 523 CD ARG A 33 -0.284 -8.033 13.748 1.00 0.00 C ATOM 524 NE ARG A 33 -0.426 -8.561 15.102 1.00 0.00 N ATOM 525 CZ ARG A 33 -1.526 -9.161 15.550 1.00 0.00 C ATOM 526 NH1 ARG A 33 -2.523 -9.435 14.718 1.00 0.00 N ATOM 527 NH2 ARG A 33 -1.627 -9.500 16.828 1.00 0.00 N ATOM 0 H ARG A 33 2.275 -7.791 10.987 1.00 0.00 H new ATOM 0 HA ARG A 33 3.659 -9.503 12.878 1.00 0.00 H new ATOM 0 HB2 ARG A 33 0.795 -9.723 11.946 1.00 0.00 H new ATOM 0 HB3 ARG A 33 1.479 -10.170 13.496 1.00 0.00 H new ATOM 0 HG2 ARG A 33 1.824 -7.816 14.078 1.00 0.00 H new ATOM 0 HG3 ARG A 33 1.292 -7.309 12.487 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -0.648 -7.006 13.722 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -0.911 -8.611 13.069 1.00 0.00 H new ATOM 0 HE ARG A 33 0.363 -8.464 15.741 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -2.447 -9.186 13.732 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -3.365 -9.895 15.065 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -0.860 -9.301 17.471 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -2.471 -9.960 17.168 1.00 0.00 H new ATOM 541 N LEU A 34 2.660 -10.552 9.930 1.00 0.00 N ATOM 542 CA LEU A 34 2.808 -11.626 8.951 1.00 0.00 C ATOM 543 C LEU A 34 4.034 -11.400 8.070 1.00 0.00 C ATOM 544 O LEU A 34 4.483 -12.319 7.382 1.00 0.00 O ATOM 545 CB LEU A 34 1.565 -11.725 8.064 1.00 0.00 C ATOM 546 CG LEU A 34 0.263 -12.066 8.790 1.00 0.00 C ATOM 547 CD1 LEU A 34 -0.892 -12.123 7.802 1.00 0.00 C ATOM 548 CD2 LEU A 34 0.391 -13.389 9.534 1.00 0.00 C ATOM 0 H LEU A 34 2.201 -9.715 9.570 1.00 0.00 H new ATOM 0 HA LEU A 34 2.934 -12.557 9.504 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.433 -10.775 7.546 1.00 0.00 H new ATOM 0 HB3 LEU A 34 1.744 -12.482 7.301 1.00 0.00 H new ATOM 0 HG LEU A 34 0.061 -11.282 9.520 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.813 -12.367 8.332 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.000 -11.155 7.313 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.692 -12.888 7.052 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -0.546 -13.612 10.043 1.00 0.00 H new ATOM 0 HD22 LEU A 34 0.617 -14.185 8.825 1.00 0.00 H new ATOM 0 HD23 LEU A 34 1.194 -13.318 10.267 1.00 0.00 H new ATOM 560 N ASN A 35 4.555 -10.168 8.092 1.00 0.00 N ATOM 561 CA ASN A 35 5.701 -9.767 7.262 1.00 0.00 C ATOM 562 C ASN A 35 5.291 -9.760 5.784 1.00 0.00 C ATOM 563 O ASN A 35 6.112 -9.951 4.887 1.00 0.00 O ATOM 564 CB ASN A 35 6.906 -10.697 7.501 1.00 0.00 C ATOM 565 CG ASN A 35 8.230 -10.089 7.053 1.00 0.00 C ATOM 566 OD1 ASN A 35 8.899 -9.390 7.820 1.00 0.00 O ATOM 567 ND2 ASN A 35 8.630 -10.366 5.821 1.00 0.00 N ATOM 0 H ASN A 35 4.196 -9.420 8.685 1.00 0.00 H new ATOM 0 HA ASN A 35 6.007 -8.760 7.544 1.00 0.00 H new ATOM 0 HB2 ASN A 35 6.965 -10.939 8.562 1.00 0.00 H new ATOM 0 HB3 ASN A 35 6.745 -11.634 6.968 1.00 0.00 H new ATOM 0 HD21 ASN A 35 9.517 -9.998 5.478 1.00 0.00 H new ATOM 0 HD22 ASN A 35 8.051 -10.947 5.215 1.00 0.00 H new ATOM 574 N LEU A 36 4.012 -9.504 5.545 1.00 0.00 N ATOM 575 CA LEU A 36 3.468 -9.492 4.193 1.00 0.00 C ATOM 576 C LEU A 36 2.918 -8.116 3.849 1.00 0.00 C ATOM 577 O LEU A 36 2.294 -7.458 4.683 1.00 0.00 O ATOM 578 CB LEU A 36 2.366 -10.545 4.049 1.00 0.00 C ATOM 579 CG LEU A 36 2.825 -11.997 4.225 1.00 0.00 C ATOM 580 CD1 LEU A 36 1.641 -12.945 4.133 1.00 0.00 C ATOM 581 CD2 LEU A 36 3.875 -12.357 3.182 1.00 0.00 C ATOM 0 H LEU A 36 3.328 -9.301 6.274 1.00 0.00 H new ATOM 0 HA LEU A 36 4.275 -9.730 3.500 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.587 -10.335 4.782 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.912 -10.441 3.063 1.00 0.00 H new ATOM 0 HG LEU A 36 3.272 -12.097 5.214 1.00 0.00 H new ATOM 0 HD11 LEU A 36 1.986 -13.971 4.260 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.921 -12.705 4.915 1.00 0.00 H new ATOM 0 HD13 LEU A 36 1.166 -12.840 3.158 1.00 0.00 H new ATOM 0 HD21 LEU A 36 4.188 -13.391 3.323 1.00 0.00 H new ATOM 0 HD22 LEU A 36 3.452 -12.239 2.184 1.00 0.00 H new ATOM 0 HD23 LEU A 36 4.737 -11.699 3.291 1.00 0.00 H new ATOM 593 N ALA A 37 3.150 -7.686 2.622 1.00 0.00 N ATOM 594 CA ALA A 37 2.722 -6.376 2.181 1.00 0.00 C ATOM 595 C ALA A 37 1.823 -6.479 0.959 1.00 0.00 C ATOM 596 O ALA A 37 2.056 -7.298 0.063 1.00 0.00 O ATOM 597 CB ALA A 37 3.929 -5.505 1.873 1.00 0.00 C ATOM 0 H ALA A 37 3.636 -8.231 1.910 1.00 0.00 H new ATOM 0 HA ALA A 37 2.149 -5.917 2.987 1.00 0.00 H new ATOM 0 HB1 ALA A 37 3.593 -4.522 1.542 1.00 0.00 H new ATOM 0 HB2 ALA A 37 4.539 -5.397 2.770 1.00 0.00 H new ATOM 0 HB3 ALA A 37 4.522 -5.970 1.085 1.00 0.00 H new ATOM 603 N TYR A 38 0.788 -5.657 0.943 1.00 0.00 N ATOM 604 CA TYR A 38 -0.121 -5.569 -0.185 1.00 0.00 C ATOM 605 C TYR A 38 0.067 -4.225 -0.874 1.00 0.00 C ATOM 606 O TYR A 38 0.227 -3.200 -0.212 1.00 0.00 O ATOM 607 CB TYR A 38 -1.567 -5.731 0.287 1.00 0.00 C ATOM 608 CG TYR A 38 -1.821 -7.024 1.036 1.00 0.00 C ATOM 609 CD1 TYR A 38 -2.149 -8.190 0.356 1.00 0.00 C ATOM 610 CD2 TYR A 38 -1.729 -7.078 2.423 1.00 0.00 C ATOM 611 CE1 TYR A 38 -2.377 -9.371 1.036 1.00 0.00 C ATOM 612 CE2 TYR A 38 -1.955 -8.256 3.109 1.00 0.00 C ATOM 613 CZ TYR A 38 -2.278 -9.399 2.411 1.00 0.00 C ATOM 614 OH TYR A 38 -2.503 -10.579 3.085 1.00 0.00 O ATOM 0 H TYR A 38 0.554 -5.031 1.714 1.00 0.00 H new ATOM 0 HA TYR A 38 0.097 -6.369 -0.892 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -1.826 -4.891 0.931 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -2.230 -5.686 -0.577 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -2.227 -8.173 -0.721 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -1.477 -6.184 2.973 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -2.632 -10.269 0.493 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -1.879 -8.281 4.186 1.00 0.00 H new ATOM 0 HH TYR A 38 -2.393 -10.432 4.048 1.00 0.00 H new ATOM 624 N ARG A 39 0.053 -4.230 -2.193 1.00 0.00 N ATOM 625 CA ARG A 39 0.352 -3.029 -2.956 1.00 0.00 C ATOM 626 C ARG A 39 -0.917 -2.357 -3.457 1.00 0.00 C ATOM 627 O ARG A 39 -1.882 -3.023 -3.821 1.00 0.00 O ATOM 628 CB ARG A 39 1.250 -3.369 -4.148 1.00 0.00 C ATOM 629 CG ARG A 39 0.643 -4.403 -5.084 1.00 0.00 C ATOM 630 CD ARG A 39 1.534 -4.668 -6.284 1.00 0.00 C ATOM 631 NE ARG A 39 1.058 -5.805 -7.073 1.00 0.00 N ATOM 632 CZ ARG A 39 1.862 -6.606 -7.769 1.00 0.00 C ATOM 633 NH1 ARG A 39 3.151 -6.318 -7.880 1.00 0.00 N ATOM 634 NH2 ARG A 39 1.370 -7.676 -8.383 1.00 0.00 N ATOM 0 H ARG A 39 -0.162 -5.050 -2.760 1.00 0.00 H new ATOM 0 HA ARG A 39 0.869 -2.338 -2.291 1.00 0.00 H new ATOM 0 HB2 ARG A 39 1.457 -2.458 -4.710 1.00 0.00 H new ATOM 0 HB3 ARG A 39 2.206 -3.740 -3.779 1.00 0.00 H new ATOM 0 HG2 ARG A 39 0.479 -5.333 -4.541 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -0.333 -4.057 -5.425 1.00 0.00 H new ATOM 0 HD2 ARG A 39 1.571 -3.779 -6.913 1.00 0.00 H new ATOM 0 HD3 ARG A 39 2.552 -4.861 -5.945 1.00 0.00 H new ATOM 0 HE ARG A 39 0.056 -5.994 -7.091 1.00 0.00 H new ATOM 0 HH11 ARG A 39 3.527 -5.482 -7.432 1.00 0.00 H new ATOM 0 HH12 ARG A 39 3.767 -6.932 -8.413 1.00 0.00 H new ATOM 0 HH21 ARG A 39 0.374 -7.886 -8.322 1.00 0.00 H new ATOM 0 HH22 ARG A 39 1.988 -8.288 -8.916 1.00 0.00 H new ATOM 648 N ILE A 40 -0.913 -1.036 -3.456 1.00 0.00 N ATOM 649 CA ILE A 40 -1.958 -0.278 -4.117 1.00 0.00 C ATOM 650 C ILE A 40 -1.481 0.070 -5.518 1.00 0.00 C ATOM 651 O ILE A 40 -0.478 0.767 -5.691 1.00 0.00 O ATOM 652 CB ILE A 40 -2.321 1.006 -3.339 1.00 0.00 C ATOM 653 CG1 ILE A 40 -2.736 0.653 -1.906 1.00 0.00 C ATOM 654 CG2 ILE A 40 -3.434 1.762 -4.054 1.00 0.00 C ATOM 655 CD1 ILE A 40 -3.061 1.859 -1.053 1.00 0.00 C ATOM 0 H ILE A 40 -0.197 -0.467 -3.005 1.00 0.00 H new ATOM 0 HA ILE A 40 -2.862 -0.886 -4.160 1.00 0.00 H new ATOM 0 HB ILE A 40 -1.445 1.653 -3.295 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -3.606 -0.002 -1.940 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -1.932 0.090 -1.432 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -3.679 2.664 -3.494 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -3.103 2.035 -5.056 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -4.318 1.128 -4.125 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -3.346 1.531 -0.053 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -2.185 2.505 -0.987 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -3.886 2.411 -1.503 1.00 0.00 H new ATOM 667 N ASP A 41 -2.174 -0.443 -6.517 1.00 0.00 N ATOM 668 CA ASP A 41 -1.734 -0.296 -7.893 1.00 0.00 C ATOM 669 C ASP A 41 -2.816 0.349 -8.739 1.00 0.00 C ATOM 670 O ASP A 41 -3.947 -0.135 -8.783 1.00 0.00 O ATOM 671 CB ASP A 41 -1.358 -1.660 -8.471 1.00 0.00 C ATOM 672 CG ASP A 41 -0.766 -1.549 -9.860 1.00 0.00 C ATOM 673 OD1 ASP A 41 0.320 -0.945 -9.994 1.00 0.00 O ATOM 674 OD2 ASP A 41 -1.379 -2.061 -10.818 1.00 0.00 O ATOM 0 H ASP A 41 -3.043 -0.965 -6.403 1.00 0.00 H new ATOM 0 HA ASP A 41 -0.857 0.351 -7.907 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -0.641 -2.148 -7.810 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -2.243 -2.295 -8.505 1.00 0.00 H new ATOM 679 N ASP A 42 -2.463 1.465 -9.377 1.00 0.00 N ATOM 680 CA ASP A 42 -3.367 2.192 -10.278 1.00 0.00 C ATOM 681 C ASP A 42 -4.591 2.726 -9.528 1.00 0.00 C ATOM 682 O ASP A 42 -5.621 3.057 -10.120 1.00 0.00 O ATOM 683 CB ASP A 42 -3.789 1.285 -11.444 1.00 0.00 C ATOM 684 CG ASP A 42 -4.534 2.030 -12.535 1.00 0.00 C ATOM 685 OD1 ASP A 42 -3.968 2.991 -13.099 1.00 0.00 O ATOM 686 OD2 ASP A 42 -5.696 1.666 -12.829 1.00 0.00 O ATOM 0 H ASP A 42 -1.542 1.894 -9.286 1.00 0.00 H new ATOM 0 HA ASP A 42 -2.832 3.052 -10.680 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -2.903 0.817 -11.872 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -4.421 0.483 -11.063 1.00 0.00 H new ATOM 691 N GLY A 43 -4.452 2.847 -8.216 1.00 0.00 N ATOM 692 CA GLY A 43 -5.549 3.316 -7.393 1.00 0.00 C ATOM 693 C GLY A 43 -6.356 2.173 -6.806 1.00 0.00 C ATOM 694 O GLY A 43 -7.306 2.393 -6.057 1.00 0.00 O ATOM 0 H GLY A 43 -3.597 2.628 -7.705 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -5.156 3.933 -6.585 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -6.203 3.951 -7.990 1.00 0.00 H new ATOM 698 N ILE A 44 -5.978 0.952 -7.153 1.00 0.00 N ATOM 699 CA ILE A 44 -6.659 -0.232 -6.657 1.00 0.00 C ATOM 700 C ILE A 44 -5.762 -1.003 -5.697 1.00 0.00 C ATOM 701 O ILE A 44 -4.694 -1.481 -6.081 1.00 0.00 O ATOM 702 CB ILE A 44 -7.075 -1.167 -7.815 1.00 0.00 C ATOM 703 CG1 ILE A 44 -7.951 -0.414 -8.815 1.00 0.00 C ATOM 704 CG2 ILE A 44 -7.805 -2.393 -7.277 1.00 0.00 C ATOM 705 CD1 ILE A 44 -8.293 -1.223 -10.047 1.00 0.00 C ATOM 0 H ILE A 44 -5.198 0.756 -7.780 1.00 0.00 H new ATOM 0 HA ILE A 44 -7.554 0.105 -6.134 1.00 0.00 H new ATOM 0 HB ILE A 44 -6.175 -1.505 -8.329 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -8.874 -0.111 -8.321 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -7.439 0.498 -9.120 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -8.090 -3.040 -8.107 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -7.148 -2.939 -6.600 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -8.699 -2.077 -6.739 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -8.917 -0.626 -10.713 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -7.376 -1.504 -10.564 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -8.834 -2.123 -9.753 1.00 0.00 H new ATOM 717 N PRO A 45 -6.167 -1.117 -4.430 1.00 0.00 N ATOM 718 CA PRO A 45 -5.439 -1.907 -3.441 1.00 0.00 C ATOM 719 C PRO A 45 -5.524 -3.400 -3.745 1.00 0.00 C ATOM 720 O PRO A 45 -6.590 -4.008 -3.627 1.00 0.00 O ATOM 721 CB PRO A 45 -6.145 -1.588 -2.114 1.00 0.00 C ATOM 722 CG PRO A 45 -6.999 -0.395 -2.394 1.00 0.00 C ATOM 723 CD PRO A 45 -7.352 -0.474 -3.849 1.00 0.00 C ATOM 0 HA PRO A 45 -4.376 -1.666 -3.427 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -6.747 -2.432 -1.777 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -5.422 -1.377 -1.326 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -7.895 -0.402 -1.774 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -6.465 0.529 -2.171 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -8.255 -1.061 -4.016 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -7.529 0.512 -4.278 1.00 0.00 H new ATOM 731 N VAL A 46 -4.409 -3.978 -4.156 1.00 0.00 N ATOM 732 CA VAL A 46 -4.360 -5.391 -4.496 1.00 0.00 C ATOM 733 C VAL A 46 -4.232 -6.228 -3.228 1.00 0.00 C ATOM 734 O VAL A 46 -3.127 -6.492 -2.751 1.00 0.00 O ATOM 735 CB VAL A 46 -3.182 -5.705 -5.446 1.00 0.00 C ATOM 736 CG1 VAL A 46 -3.200 -7.164 -5.882 1.00 0.00 C ATOM 737 CG2 VAL A 46 -3.210 -4.785 -6.658 1.00 0.00 C ATOM 0 H VAL A 46 -3.521 -3.488 -4.263 1.00 0.00 H new ATOM 0 HA VAL A 46 -5.288 -5.642 -5.011 1.00 0.00 H new ATOM 0 HB VAL A 46 -2.256 -5.529 -4.899 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -2.360 -7.355 -6.549 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.120 -7.807 -5.005 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -4.133 -7.376 -6.404 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -2.373 -5.022 -7.314 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -4.146 -4.924 -7.199 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -3.132 -3.749 -6.330 1.00 0.00 H new ATOM 747 N LEU A 47 -5.369 -6.617 -2.671 1.00 0.00 N ATOM 748 CA LEU A 47 -5.391 -7.385 -1.438 1.00 0.00 C ATOM 749 C LEU A 47 -5.667 -8.851 -1.737 1.00 0.00 C ATOM 750 O LEU A 47 -6.780 -9.337 -1.547 1.00 0.00 O ATOM 751 CB LEU A 47 -6.459 -6.838 -0.484 1.00 0.00 C ATOM 752 CG LEU A 47 -6.343 -5.348 -0.153 1.00 0.00 C ATOM 753 CD1 LEU A 47 -7.493 -4.908 0.737 1.00 0.00 C ATOM 754 CD2 LEU A 47 -5.011 -5.047 0.518 1.00 0.00 C ATOM 0 H LEU A 47 -6.291 -6.412 -3.056 1.00 0.00 H new ATOM 0 HA LEU A 47 -4.415 -7.297 -0.960 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -7.440 -7.020 -0.922 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -6.415 -7.404 0.446 1.00 0.00 H new ATOM 0 HG LEU A 47 -6.392 -4.788 -1.087 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -7.393 -3.846 0.962 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -8.438 -5.083 0.223 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -7.473 -5.479 1.665 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -4.950 -3.983 0.744 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -4.931 -5.620 1.442 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -4.196 -5.323 -0.151 1.00 0.00 H new ATOM 766 N LEU A 48 -4.661 -9.539 -2.251 1.00 0.00 N ATOM 767 CA LEU A 48 -4.788 -10.955 -2.559 1.00 0.00 C ATOM 768 C LEU A 48 -3.765 -11.757 -1.767 1.00 0.00 C ATOM 769 O LEU A 48 -2.652 -11.289 -1.523 1.00 0.00 O ATOM 770 CB LEU A 48 -4.636 -11.214 -4.065 1.00 0.00 C ATOM 771 CG LEU A 48 -5.844 -10.831 -4.935 1.00 0.00 C ATOM 772 CD1 LEU A 48 -5.945 -9.325 -5.111 1.00 0.00 C ATOM 773 CD2 LEU A 48 -5.764 -11.520 -6.287 1.00 0.00 C ATOM 0 H LEU A 48 -3.747 -9.140 -2.464 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.788 -11.279 -2.269 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -3.766 -10.664 -4.423 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -4.427 -12.273 -4.213 1.00 0.00 H new ATOM 0 HG LEU A 48 -6.745 -11.168 -4.422 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -6.810 -9.088 -5.731 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -6.057 -8.851 -4.136 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -5.041 -8.953 -5.593 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -6.627 -11.238 -6.891 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -4.850 -11.216 -6.797 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -5.758 -12.601 -6.145 1.00 0.00 H new ATOM 785 N ILE A 49 -4.152 -12.965 -1.377 1.00 0.00 N ATOM 786 CA ILE A 49 -3.352 -13.783 -0.476 1.00 0.00 C ATOM 787 C ILE A 49 -2.036 -14.219 -1.121 1.00 0.00 C ATOM 788 O ILE A 49 -0.976 -14.124 -0.503 1.00 0.00 O ATOM 789 CB ILE A 49 -4.131 -15.037 -0.027 1.00 0.00 C ATOM 790 CG1 ILE A 49 -5.515 -14.647 0.499 1.00 0.00 C ATOM 791 CG2 ILE A 49 -3.351 -15.786 1.043 1.00 0.00 C ATOM 792 CD1 ILE A 49 -6.396 -15.828 0.841 1.00 0.00 C ATOM 0 H ILE A 49 -5.024 -13.403 -1.674 1.00 0.00 H new ATOM 0 HA ILE A 49 -3.128 -13.162 0.392 1.00 0.00 H new ATOM 0 HB ILE A 49 -4.260 -15.692 -0.888 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -5.394 -14.027 1.388 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -6.018 -14.036 -0.250 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -3.912 -16.669 1.351 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -2.385 -16.092 0.642 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -3.197 -15.135 1.904 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -7.359 -15.470 1.206 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -6.550 -16.437 -0.050 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -5.915 -16.429 1.613 1.00 0.00 H new ATOM 804 N ASP A 50 -2.105 -14.692 -2.359 1.00 0.00 N ATOM 805 CA ASP A 50 -0.919 -15.202 -3.049 1.00 0.00 C ATOM 806 C ASP A 50 -0.056 -14.049 -3.529 1.00 0.00 C ATOM 807 O ASP A 50 1.170 -14.145 -3.576 1.00 0.00 O ATOM 808 CB ASP A 50 -1.302 -16.066 -4.256 1.00 0.00 C ATOM 809 CG ASP A 50 -2.242 -17.201 -3.911 1.00 0.00 C ATOM 810 OD1 ASP A 50 -1.805 -18.188 -3.279 1.00 0.00 O ATOM 811 OD2 ASP A 50 -3.429 -17.120 -4.292 1.00 0.00 O ATOM 0 H ASP A 50 -2.964 -14.735 -2.907 1.00 0.00 H new ATOM 0 HA ASP A 50 -0.366 -15.815 -2.337 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -1.769 -15.434 -5.011 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -0.396 -16.477 -4.701 1.00 0.00 H new ATOM 816 N GLU A 51 -0.716 -12.954 -3.867 1.00 0.00 N ATOM 817 CA GLU A 51 -0.059 -11.787 -4.439 1.00 0.00 C ATOM 818 C GLU A 51 0.634 -10.959 -3.358 1.00 0.00 C ATOM 819 O GLU A 51 1.300 -9.963 -3.653 1.00 0.00 O ATOM 820 CB GLU A 51 -1.085 -10.932 -5.195 1.00 0.00 C ATOM 821 CG GLU A 51 -1.532 -11.513 -6.538 1.00 0.00 C ATOM 822 CD GLU A 51 -1.983 -12.962 -6.457 1.00 0.00 C ATOM 823 OE1 GLU A 51 -2.971 -13.252 -5.748 1.00 0.00 O ATOM 824 OE2 GLU A 51 -1.336 -13.823 -7.093 1.00 0.00 O ATOM 0 H GLU A 51 -1.724 -12.847 -3.753 1.00 0.00 H new ATOM 0 HA GLU A 51 0.706 -12.129 -5.137 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -1.962 -10.797 -4.562 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -0.659 -9.943 -5.365 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -2.350 -10.909 -6.931 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -0.709 -11.437 -7.249 1.00 0.00 H new ATOM 831 N ALA A 52 0.475 -11.375 -2.109 1.00 0.00 N ATOM 832 CA ALA A 52 1.132 -10.717 -0.996 1.00 0.00 C ATOM 833 C ALA A 52 2.642 -10.827 -1.142 1.00 0.00 C ATOM 834 O ALA A 52 3.185 -11.920 -1.319 1.00 0.00 O ATOM 835 CB ALA A 52 0.684 -11.321 0.326 1.00 0.00 C ATOM 0 H ALA A 52 -0.107 -12.170 -1.844 1.00 0.00 H new ATOM 0 HA ALA A 52 0.852 -9.664 -1.003 1.00 0.00 H new ATOM 0 HB1 ALA A 52 1.189 -10.813 1.148 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -0.394 -11.202 0.433 1.00 0.00 H new ATOM 0 HB3 ALA A 52 0.936 -12.381 0.346 1.00 0.00 H new ATOM 841 N THR A 53 3.316 -9.697 -1.075 1.00 0.00 N ATOM 842 CA THR A 53 4.753 -9.665 -1.242 1.00 0.00 C ATOM 843 C THR A 53 5.418 -9.481 0.112 1.00 0.00 C ATOM 844 O THR A 53 4.867 -8.822 0.988 1.00 0.00 O ATOM 845 CB THR A 53 5.166 -8.518 -2.179 1.00 0.00 C ATOM 846 OG1 THR A 53 4.256 -8.451 -3.289 1.00 0.00 O ATOM 847 CG2 THR A 53 6.586 -8.703 -2.702 1.00 0.00 C ATOM 0 H THR A 53 2.889 -8.786 -0.905 1.00 0.00 H new ATOM 0 HA THR A 53 5.073 -10.608 -1.685 1.00 0.00 H new ATOM 0 HB THR A 53 5.133 -7.591 -1.607 1.00 0.00 H new ATOM 0 HG1 THR A 53 4.520 -7.718 -3.884 1.00 0.00 H new ATOM 0 HG21 THR A 53 6.842 -7.873 -3.361 1.00 0.00 H new ATOM 0 HG22 THR A 53 7.282 -8.729 -1.864 1.00 0.00 H new ATOM 0 HG23 THR A 53 6.650 -9.639 -3.256 1.00 0.00 H new ATOM 855 N GLU A 54 6.580 -10.075 0.294 1.00 0.00 N ATOM 856 CA GLU A 54 7.302 -9.932 1.549 1.00 0.00 C ATOM 857 C GLU A 54 8.048 -8.604 1.570 1.00 0.00 C ATOM 858 O GLU A 54 8.619 -8.186 0.563 1.00 0.00 O ATOM 859 CB GLU A 54 8.259 -11.106 1.772 1.00 0.00 C ATOM 860 CG GLU A 54 9.266 -11.314 0.655 1.00 0.00 C ATOM 861 CD GLU A 54 10.206 -12.462 0.942 1.00 0.00 C ATOM 862 OE1 GLU A 54 9.844 -13.623 0.664 1.00 0.00 O ATOM 863 OE2 GLU A 54 11.320 -12.211 1.454 1.00 0.00 O ATOM 0 H GLU A 54 7.044 -10.657 -0.403 1.00 0.00 H new ATOM 0 HA GLU A 54 6.582 -9.940 2.367 1.00 0.00 H new ATOM 0 HB2 GLU A 54 8.798 -10.947 2.706 1.00 0.00 H new ATOM 0 HB3 GLU A 54 7.674 -12.018 1.892 1.00 0.00 H new ATOM 0 HG2 GLU A 54 8.737 -11.504 -0.279 1.00 0.00 H new ATOM 0 HG3 GLU A 54 9.843 -10.400 0.513 1.00 0.00 H new ATOM 870 N TRP A 55 8.023 -7.939 2.712 1.00 0.00 N ATOM 871 CA TRP A 55 8.610 -6.617 2.832 1.00 0.00 C ATOM 872 C TRP A 55 9.581 -6.568 4.006 1.00 0.00 C ATOM 873 O TRP A 55 9.417 -7.291 4.989 1.00 0.00 O ATOM 874 CB TRP A 55 7.500 -5.574 3.006 1.00 0.00 C ATOM 875 CG TRP A 55 7.995 -4.160 3.095 1.00 0.00 C ATOM 876 CD1 TRP A 55 8.065 -3.383 4.219 1.00 0.00 C ATOM 877 CD2 TRP A 55 8.492 -3.353 2.018 1.00 0.00 C ATOM 878 NE1 TRP A 55 8.576 -2.147 3.906 1.00 0.00 N ATOM 879 CE2 TRP A 55 8.843 -2.102 2.562 1.00 0.00 C ATOM 880 CE3 TRP A 55 8.676 -3.567 0.648 1.00 0.00 C ATOM 881 CZ2 TRP A 55 9.366 -1.072 1.786 1.00 0.00 C ATOM 882 CZ3 TRP A 55 9.192 -2.542 -0.122 1.00 0.00 C ATOM 883 CH2 TRP A 55 9.532 -1.308 0.449 1.00 0.00 C ATOM 0 H TRP A 55 7.602 -8.294 3.570 1.00 0.00 H new ATOM 0 HA TRP A 55 9.168 -6.392 1.923 1.00 0.00 H new ATOM 0 HB2 TRP A 55 6.808 -5.653 2.168 1.00 0.00 H new ATOM 0 HB3 TRP A 55 6.936 -5.807 3.909 1.00 0.00 H new ATOM 0 HD1 TRP A 55 7.763 -3.696 5.208 1.00 0.00 H new ATOM 0 HE1 TRP A 55 8.732 -1.386 4.567 1.00 0.00 H new ATOM 0 HE3 TRP A 55 8.420 -4.516 0.200 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 9.631 -0.121 2.224 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 9.336 -2.694 -1.181 1.00 0.00 H new ATOM 0 HH2 TRP A 55 9.933 -0.527 -0.180 1.00 0.00 H new ATOM 894 N THR A 56 10.604 -5.736 3.883 1.00 0.00 N ATOM 895 CA THR A 56 11.539 -5.512 4.970 1.00 0.00 C ATOM 896 C THR A 56 11.177 -4.215 5.695 1.00 0.00 C ATOM 897 O THR A 56 11.458 -3.122 5.202 1.00 0.00 O ATOM 898 CB THR A 56 12.982 -5.425 4.445 1.00 0.00 C ATOM 899 OG1 THR A 56 13.227 -6.487 3.510 1.00 0.00 O ATOM 900 CG2 THR A 56 13.987 -5.511 5.587 1.00 0.00 C ATOM 0 H THR A 56 10.806 -5.204 3.037 1.00 0.00 H new ATOM 0 HA THR A 56 11.475 -6.353 5.661 1.00 0.00 H new ATOM 0 HB THR A 56 13.104 -4.462 3.948 1.00 0.00 H new ATOM 0 HG1 THR A 56 14.147 -6.425 3.178 1.00 0.00 H new ATOM 0 HG21 THR A 56 14.999 -5.447 5.187 1.00 0.00 H new ATOM 0 HG22 THR A 56 13.819 -4.689 6.282 1.00 0.00 H new ATOM 0 HG23 THR A 56 13.863 -6.459 6.110 1.00 0.00 H new ATOM 908 N PRO A 57 10.514 -4.320 6.856 1.00 0.00 N ATOM 909 CA PRO A 57 10.042 -3.159 7.611 1.00 0.00 C ATOM 910 C PRO A 57 11.185 -2.366 8.237 1.00 0.00 C ATOM 911 O PRO A 57 11.934 -2.882 9.071 1.00 0.00 O ATOM 912 CB PRO A 57 9.146 -3.766 8.704 1.00 0.00 C ATOM 913 CG PRO A 57 8.951 -5.194 8.316 1.00 0.00 C ATOM 914 CD PRO A 57 10.165 -5.576 7.527 1.00 0.00 C ATOM 0 HA PRO A 57 9.522 -2.449 6.968 1.00 0.00 H new ATOM 0 HB2 PRO A 57 9.616 -3.687 9.684 1.00 0.00 H new ATOM 0 HB3 PRO A 57 8.192 -3.242 8.764 1.00 0.00 H new ATOM 0 HG2 PRO A 57 8.843 -5.827 9.197 1.00 0.00 H new ATOM 0 HG3 PRO A 57 8.045 -5.317 7.722 1.00 0.00 H new ATOM 0 HD2 PRO A 57 10.971 -5.931 8.169 1.00 0.00 H new ATOM 0 HD3 PRO A 57 9.952 -6.372 6.813 1.00 0.00 H new ATOM 922 N ASN A 58 11.321 -1.113 7.825 1.00 0.00 N ATOM 923 CA ASN A 58 12.337 -0.238 8.387 1.00 0.00 C ATOM 924 C ASN A 58 11.818 0.405 9.668 1.00 0.00 C ATOM 925 O ASN A 58 10.921 1.247 9.626 1.00 0.00 O ATOM 926 CB ASN A 58 12.720 0.858 7.389 1.00 0.00 C ATOM 927 CG ASN A 58 13.908 1.672 7.863 1.00 0.00 C ATOM 928 OD1 ASN A 58 14.847 1.135 8.452 1.00 0.00 O ATOM 929 ND2 ASN A 58 13.863 2.976 7.637 1.00 0.00 N ATOM 0 H ASN A 58 10.741 -0.682 7.105 1.00 0.00 H new ATOM 0 HA ASN A 58 13.220 -0.838 8.609 1.00 0.00 H new ATOM 0 HB2 ASN A 58 12.953 0.405 6.425 1.00 0.00 H new ATOM 0 HB3 ASN A 58 11.868 1.519 7.233 1.00 0.00 H new ATOM 0 HD21 ASN A 58 14.625 3.575 7.955 1.00 0.00 H new ATOM 0 HD22 ASN A 58 13.067 3.381 7.145 1.00 0.00 H new ATOM 936 N ASN A 59 12.364 0.001 10.804 1.00 0.00 N ATOM 937 CA ASN A 59 11.938 0.556 12.083 1.00 0.00 C ATOM 938 C ASN A 59 13.114 1.182 12.824 1.00 0.00 C ATOM 939 O ASN A 59 13.829 0.491 13.553 1.00 0.00 O ATOM 940 CB ASN A 59 11.281 -0.515 12.965 1.00 0.00 C ATOM 941 CG ASN A 59 9.933 -0.984 12.449 1.00 0.00 C ATOM 942 OD1 ASN A 59 8.904 -0.351 12.695 1.00 0.00 O ATOM 943 ND2 ASN A 59 9.920 -2.117 11.763 1.00 0.00 N ATOM 0 H ASN A 59 13.098 -0.704 10.869 1.00 0.00 H new ATOM 0 HA ASN A 59 11.201 1.330 11.870 1.00 0.00 H new ATOM 0 HB2 ASN A 59 11.950 -1.372 13.040 1.00 0.00 H new ATOM 0 HB3 ASN A 59 11.157 -0.118 13.973 1.00 0.00 H new ATOM 0 HD21 ASN A 59 9.037 -2.494 11.418 1.00 0.00 H new ATOM 0 HD22 ASN A 59 10.793 -2.612 11.580 1.00 0.00 H new ATOM 950 N LEU A 60 13.317 2.481 12.597 1.00 0.00 N ATOM 951 CA LEU A 60 14.308 3.281 13.317 1.00 0.00 C ATOM 952 C LEU A 60 15.749 2.859 13.017 1.00 0.00 C ATOM 953 O LEU A 60 16.188 1.774 13.394 1.00 0.00 O ATOM 954 CB LEU A 60 14.055 3.215 14.824 1.00 0.00 C ATOM 955 CG LEU A 60 14.997 4.070 15.665 1.00 0.00 C ATOM 956 CD1 LEU A 60 14.713 5.551 15.459 1.00 0.00 C ATOM 957 CD2 LEU A 60 14.899 3.693 17.137 1.00 0.00 C ATOM 0 H LEU A 60 12.793 3.012 11.901 1.00 0.00 H new ATOM 0 HA LEU A 60 14.192 4.306 12.965 1.00 0.00 H new ATOM 0 HB2 LEU A 60 13.029 3.527 15.021 1.00 0.00 H new ATOM 0 HB3 LEU A 60 14.140 2.178 15.148 1.00 0.00 H new ATOM 0 HG LEU A 60 16.018 3.876 15.336 1.00 0.00 H new ATOM 0 HD11 LEU A 60 15.397 6.141 16.069 1.00 0.00 H new ATOM 0 HD12 LEU A 60 14.852 5.805 14.408 1.00 0.00 H new ATOM 0 HD13 LEU A 60 13.686 5.769 15.752 1.00 0.00 H new ATOM 0 HD21 LEU A 60 15.579 4.315 17.718 1.00 0.00 H new ATOM 0 HD22 LEU A 60 13.878 3.849 17.485 1.00 0.00 H new ATOM 0 HD23 LEU A 60 15.169 2.645 17.263 1.00 0.00 H new ATOM 969 N GLU A 61 16.490 3.732 12.352 1.00 0.00 N ATOM 970 CA GLU A 61 17.907 3.495 12.111 1.00 0.00 C ATOM 971 C GLU A 61 18.717 3.800 13.368 1.00 0.00 C ATOM 972 O GLU A 61 18.290 4.589 14.211 1.00 0.00 O ATOM 973 CB GLU A 61 18.414 4.353 10.954 1.00 0.00 C ATOM 974 CG GLU A 61 17.872 3.952 9.594 1.00 0.00 C ATOM 975 CD GLU A 61 18.475 4.779 8.479 1.00 0.00 C ATOM 976 OE1 GLU A 61 19.694 4.656 8.243 1.00 0.00 O ATOM 977 OE2 GLU A 61 17.738 5.565 7.843 1.00 0.00 O ATOM 0 H GLU A 61 16.136 4.609 11.970 1.00 0.00 H new ATOM 0 HA GLU A 61 18.032 2.445 11.848 1.00 0.00 H new ATOM 0 HB2 GLU A 61 18.149 5.393 11.145 1.00 0.00 H new ATOM 0 HB3 GLU A 61 19.502 4.301 10.928 1.00 0.00 H new ATOM 0 HG2 GLU A 61 18.081 2.897 9.417 1.00 0.00 H new ATOM 0 HG3 GLU A 61 16.788 4.068 9.587 1.00 0.00 H new TER 984 GLU A 61