USER MOD reduce.3.24.130724 H: found=0, std=0, add=757, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 760 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 36 MET CE :methyl -169:sc= -0.0157 (180deg=-0.0256) USER MOD Set 1.2: A 51 MET CE :methyl -153:sc= -0.751 (180deg=-2.12) USER MOD Set 2.1: A 1 ALA N :NH3+ 178:sc= 1.23 (180deg=0) USER MOD Set 2.2: A 3 GLN : amide:sc= 1.1 K(o=2.3,f=-7.3!) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.134 USER MOD Single : A 8 GLN : amide:sc= 1.01 K(o=1,f=-0.3) USER MOD Single : A 13 LYS NZ :NH3+ 171:sc= 1.21 (180deg=1.03) USER MOD Single : A 17 SER OG : rot 81:sc= 0.97 USER MOD Single : A 21 LYS NZ :NH3+ -117:sc= 1.65 (180deg=0.65) USER MOD Single : A 26 THR OG1 : rot 15:sc= 0.877 USER MOD Single : A 28 THR OG1 : rot -32:sc= 1.22 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.131 USER MOD Single : A 30 LYS NZ :NH3+ -122:sc= 1.16 (180deg=-0.0782) USER MOD Single : A 34 THR OG1 : rot -93:sc= 1.18 USER MOD Single : A 38 SER OG : rot 80:sc= 1.21 USER MOD Single : A 41 GLN : amide:sc= -0.661 K(o=-0.66,f=-1.2) USER MOD Single : A 42 ASN : amide:sc= -0.433 K(o=-0.43,f=-5.1!) USER MOD Single : A 44 THR OG1 : rot -78:sc= 1.25 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 ASN : amide:sc= -0.157 X(o=-0.16,f=0) USER MOD Single : A 60 ASN : amide:sc= 0.464 K(o=0.46,f=-4.8!) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 78:sc= 1.12 USER MOD Single : A 71 MET CE :methyl 173:sc= -4.61! (180deg=-5.23!) USER MOD Single : A 72 MET CE :methyl 153:sc= -2.05! (180deg=-2.74!) USER MOD Single : A 75 LYS NZ :NH3+ -124:sc= 0.272 (180deg=-0.11) USER MOD Single : A 76 MET CE :methyl 161:sc= -0.0525 (180deg=-0.431) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : B 290 ASN : amide:sc= -1.63! C(o=-1.6!,f=-3.2!) USER MOD Single : B 294 SER OG : rot 180:sc=-0.00235 USER MOD Single : B 297 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 299 LYS NZ :NH3+ -179:sc= -0.204 (180deg=-0.21) USER MOD Single : B 301 SER OG : rot 67:sc= 0.58 USER MOD Single : B 302 LYS NZ :NH3+ -149:sc= 1.54 (180deg=0.813) USER MOD Single : B 303 LYS NZ :NH3+ 156:sc= 2.25 (180deg=1.65) USER MOD Single : B 304 ASN : amide:sc= -0.125 X(o=-0.13,f=0) USER MOD Single : B 305 SER OG : rot 72:sc= 0.497 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 23.775 -16.715 -6.650 1.00 2.58 N ATOM 2 CA ALA A 1 23.982 -15.383 -6.039 1.00 2.36 C ATOM 3 C ALA A 1 22.694 -14.915 -5.367 1.00 2.09 C ATOM 4 O ALA A 1 21.963 -15.722 -4.794 1.00 2.15 O ATOM 5 CB ALA A 1 24.445 -14.381 -7.087 1.00 2.57 C ATOM 0 H1 ALA A 1 24.645 -17.013 -7.135 1.00 2.58 H new ATOM 0 H2 ALA A 1 23.538 -17.404 -5.908 1.00 2.58 H new ATOM 0 H3 ALA A 1 22.996 -16.665 -7.337 1.00 2.58 H new ATOM 0 HA ALA A 1 24.761 -15.457 -5.281 1.00 2.36 H new ATOM 0 HB1 ALA A 1 24.592 -13.407 -6.620 1.00 2.57 H new ATOM 0 HB2 ALA A 1 25.385 -14.719 -7.524 1.00 2.57 H new ATOM 0 HB3 ALA A 1 23.690 -14.298 -7.869 1.00 2.57 H new ATOM 13 N ASP A 2 22.400 -13.622 -5.446 1.00 1.93 N ATOM 14 CA ASP A 2 21.196 -13.094 -4.825 1.00 1.85 C ATOM 15 C ASP A 2 19.998 -13.251 -5.752 1.00 1.77 C ATOM 16 O ASP A 2 19.839 -12.507 -6.722 1.00 2.06 O ATOM 17 CB ASP A 2 21.372 -11.626 -4.436 1.00 2.06 C ATOM 18 CG ASP A 2 20.135 -11.075 -3.756 1.00 2.70 C ATOM 19 OD1 ASP A 2 19.777 -11.589 -2.676 1.00 3.47 O ATOM 20 OD2 ASP A 2 19.513 -10.137 -4.304 1.00 2.98 O ATOM 0 H ASP A 2 22.972 -12.929 -5.928 1.00 1.93 H new ATOM 0 HA ASP A 2 21.014 -13.668 -3.917 1.00 1.85 H new ATOM 0 HB2 ASP A 2 22.229 -11.526 -3.770 1.00 2.06 H new ATOM 0 HB3 ASP A 2 21.591 -11.037 -5.327 1.00 2.06 H new ATOM 25 N GLN A 3 19.170 -14.237 -5.450 1.00 1.60 N ATOM 26 CA GLN A 3 17.975 -14.512 -6.236 1.00 1.62 C ATOM 27 C GLN A 3 16.779 -14.682 -5.321 1.00 1.52 C ATOM 28 O GLN A 3 15.781 -13.975 -5.446 1.00 1.55 O ATOM 29 CB GLN A 3 18.159 -15.773 -7.089 1.00 1.75 C ATOM 30 CG GLN A 3 19.146 -15.598 -8.230 1.00 2.06 C ATOM 31 CD GLN A 3 20.206 -16.676 -8.261 1.00 2.43 C ATOM 32 OE1 GLN A 3 21.263 -16.543 -7.647 1.00 2.68 O ATOM 33 NE2 GLN A 3 19.934 -17.754 -8.975 1.00 2.95 N ATOM 0 H GLN A 3 19.304 -14.867 -4.659 1.00 1.60 H new ATOM 0 HA GLN A 3 17.803 -13.666 -6.902 1.00 1.62 H new ATOM 0 HB2 GLN A 3 18.497 -16.588 -6.449 1.00 1.75 H new ATOM 0 HB3 GLN A 3 17.193 -16.069 -7.498 1.00 1.75 H new ATOM 0 HG2 GLN A 3 18.604 -15.601 -9.176 1.00 2.06 H new ATOM 0 HG3 GLN A 3 19.628 -14.624 -8.141 1.00 2.06 H new ATOM 0 HE21 GLN A 3 19.045 -17.827 -9.470 1.00 2.95 H new ATOM 0 HE22 GLN A 3 20.613 -18.513 -9.031 1.00 2.95 H new ATOM 42 N LEU A 4 16.888 -15.615 -4.386 1.00 1.47 N ATOM 43 CA LEU A 4 15.810 -15.874 -3.451 1.00 1.42 C ATOM 44 C LEU A 4 15.894 -14.923 -2.268 1.00 1.35 C ATOM 45 O LEU A 4 16.329 -15.298 -1.176 1.00 1.37 O ATOM 46 CB LEU A 4 15.847 -17.323 -2.974 1.00 1.54 C ATOM 47 CG LEU A 4 15.683 -18.370 -4.076 1.00 1.78 C ATOM 48 CD1 LEU A 4 15.650 -19.761 -3.479 1.00 1.97 C ATOM 49 CD2 LEU A 4 14.418 -18.123 -4.886 1.00 1.88 C ATOM 0 H LEU A 4 17.712 -16.203 -4.257 1.00 1.47 H new ATOM 0 HA LEU A 4 14.863 -15.707 -3.964 1.00 1.42 H new ATOM 0 HB2 LEU A 4 16.795 -17.498 -2.465 1.00 1.54 H new ATOM 0 HB3 LEU A 4 15.058 -17.467 -2.236 1.00 1.54 H new ATOM 0 HG LEU A 4 16.539 -18.288 -4.746 1.00 1.78 H new ATOM 0 HD11 LEU A 4 15.533 -20.496 -4.275 1.00 1.97 H new ATOM 0 HD12 LEU A 4 16.581 -19.950 -2.945 1.00 1.97 H new ATOM 0 HD13 LEU A 4 14.812 -19.840 -2.786 1.00 1.97 H new ATOM 0 HD21 LEU A 4 14.329 -18.883 -5.662 1.00 1.88 H new ATOM 0 HD22 LEU A 4 13.550 -18.171 -4.229 1.00 1.88 H new ATOM 0 HD23 LEU A 4 14.469 -17.137 -5.348 1.00 1.88 H new ATOM 61 N THR A 5 15.509 -13.681 -2.509 1.00 1.33 N ATOM 62 CA THR A 5 15.525 -12.654 -1.489 1.00 1.31 C ATOM 63 C THR A 5 14.349 -12.808 -0.530 1.00 1.19 C ATOM 64 O THR A 5 14.480 -13.432 0.526 1.00 1.18 O ATOM 65 CB THR A 5 15.476 -11.262 -2.144 1.00 1.42 C ATOM 66 OG1 THR A 5 15.008 -11.387 -3.493 1.00 1.68 O ATOM 67 CG2 THR A 5 16.844 -10.602 -2.130 1.00 1.63 C ATOM 0 H THR A 5 15.177 -13.359 -3.418 1.00 1.33 H new ATOM 0 HA THR A 5 16.449 -12.761 -0.920 1.00 1.31 H new ATOM 0 HB THR A 5 14.793 -10.634 -1.573 1.00 1.42 H new ATOM 0 HG1 THR A 5 14.975 -10.501 -3.911 1.00 1.68 H new ATOM 0 HG21 THR A 5 16.779 -9.620 -2.599 1.00 1.63 H new ATOM 0 HG22 THR A 5 17.184 -10.490 -1.100 1.00 1.63 H new ATOM 0 HG23 THR A 5 17.552 -11.221 -2.681 1.00 1.63 H new ATOM 75 N GLU A 6 13.202 -12.236 -0.916 1.00 1.16 N ATOM 76 CA GLU A 6 11.985 -12.292 -0.109 1.00 1.10 C ATOM 77 C GLU A 6 12.274 -11.819 1.310 1.00 1.10 C ATOM 78 O GLU A 6 11.937 -12.484 2.290 1.00 1.15 O ATOM 79 CB GLU A 6 11.393 -13.707 -0.115 1.00 1.08 C ATOM 80 CG GLU A 6 10.806 -14.105 -1.462 1.00 1.08 C ATOM 81 CD GLU A 6 9.542 -13.338 -1.779 1.00 1.03 C ATOM 82 OE1 GLU A 6 8.456 -13.771 -1.340 1.00 1.44 O ATOM 83 OE2 GLU A 6 9.625 -12.299 -2.463 1.00 1.31 O ATOM 0 H GLU A 6 13.095 -11.725 -1.792 1.00 1.16 H new ATOM 0 HA GLU A 6 11.243 -11.624 -0.546 1.00 1.10 H new ATOM 0 HB2 GLU A 6 12.170 -14.420 0.161 1.00 1.08 H new ATOM 0 HB3 GLU A 6 10.616 -13.772 0.646 1.00 1.08 H new ATOM 0 HG2 GLU A 6 11.543 -13.928 -2.245 1.00 1.08 H new ATOM 0 HG3 GLU A 6 10.591 -15.174 -1.462 1.00 1.08 H new ATOM 90 N GLU A 7 12.914 -10.661 1.397 1.00 1.09 N ATOM 91 CA GLU A 7 13.286 -10.067 2.675 1.00 1.13 C ATOM 92 C GLU A 7 12.563 -8.730 2.861 1.00 1.08 C ATOM 93 O GLU A 7 11.842 -8.535 3.836 1.00 1.13 O ATOM 94 CB GLU A 7 14.814 -9.883 2.756 1.00 1.25 C ATOM 95 CG GLU A 7 15.523 -9.962 1.409 1.00 1.28 C ATOM 96 CD GLU A 7 15.224 -8.771 0.527 1.00 1.24 C ATOM 97 OE1 GLU A 7 14.173 -8.781 -0.151 1.00 1.16 O ATOM 98 OE2 GLU A 7 16.013 -7.815 0.531 1.00 1.35 O ATOM 0 H GLU A 7 13.190 -10.107 0.586 1.00 1.09 H new ATOM 0 HA GLU A 7 12.984 -10.737 3.480 1.00 1.13 H new ATOM 0 HB2 GLU A 7 15.029 -8.916 3.211 1.00 1.25 H new ATOM 0 HB3 GLU A 7 15.226 -10.646 3.417 1.00 1.25 H new ATOM 0 HG2 GLU A 7 16.599 -10.029 1.572 1.00 1.28 H new ATOM 0 HG3 GLU A 7 15.221 -10.875 0.896 1.00 1.28 H new ATOM 105 N GLN A 8 12.744 -7.825 1.908 1.00 1.08 N ATOM 106 CA GLN A 8 12.107 -6.514 1.956 1.00 1.06 C ATOM 107 C GLN A 8 10.801 -6.569 1.189 1.00 0.96 C ATOM 108 O GLN A 8 9.817 -5.921 1.550 1.00 0.95 O ATOM 109 CB GLN A 8 13.025 -5.440 1.365 1.00 1.17 C ATOM 110 CG GLN A 8 14.322 -5.265 2.138 1.00 1.31 C ATOM 111 CD GLN A 8 15.366 -4.484 1.363 1.00 1.48 C ATOM 112 OE1 GLN A 8 15.439 -3.257 1.448 1.00 1.56 O ATOM 113 NE2 GLN A 8 16.178 -5.193 0.598 1.00 1.61 N ATOM 0 H GLN A 8 13.330 -7.976 1.087 1.00 1.08 H new ATOM 0 HA GLN A 8 11.911 -6.251 2.995 1.00 1.06 H new ATOM 0 HB2 GLN A 8 13.258 -5.699 0.332 1.00 1.17 H new ATOM 0 HB3 GLN A 8 12.493 -4.489 1.343 1.00 1.17 H new ATOM 0 HG2 GLN A 8 14.114 -4.752 3.077 1.00 1.31 H new ATOM 0 HG3 GLN A 8 14.723 -6.246 2.393 1.00 1.31 H new ATOM 0 HE21 GLN A 8 16.083 -6.208 0.557 1.00 1.61 H new ATOM 0 HE22 GLN A 8 16.899 -4.725 0.049 1.00 1.61 H new ATOM 122 N ILE A 9 10.800 -7.368 0.129 1.00 0.93 N ATOM 123 CA ILE A 9 9.616 -7.540 -0.699 1.00 0.90 C ATOM 124 C ILE A 9 8.488 -8.187 0.113 1.00 0.82 C ATOM 125 O ILE A 9 7.312 -7.979 -0.174 1.00 0.80 O ATOM 126 CB ILE A 9 9.891 -8.406 -1.952 1.00 0.96 C ATOM 127 CG1 ILE A 9 11.321 -8.192 -2.475 1.00 1.15 C ATOM 128 CG2 ILE A 9 8.882 -8.061 -3.041 1.00 1.14 C ATOM 129 CD1 ILE A 9 11.756 -9.230 -3.489 1.00 1.23 C ATOM 0 H ILE A 9 11.609 -7.908 -0.177 1.00 0.93 H new ATOM 0 HA ILE A 9 9.321 -6.545 -1.032 1.00 0.90 H new ATOM 0 HB ILE A 9 9.789 -9.455 -1.674 1.00 0.96 H new ATOM 0 HG12 ILE A 9 11.389 -7.203 -2.928 1.00 1.15 H new ATOM 0 HG13 ILE A 9 12.013 -8.206 -1.633 1.00 1.15 H new ATOM 0 HG21 ILE A 9 9.076 -8.671 -3.923 1.00 1.14 H new ATOM 0 HG22 ILE A 9 7.873 -8.258 -2.678 1.00 1.14 H new ATOM 0 HG23 ILE A 9 8.974 -7.007 -3.302 1.00 1.14 H new ATOM 0 HD11 ILE A 9 12.774 -9.017 -3.814 1.00 1.23 H new ATOM 0 HD12 ILE A 9 11.720 -10.220 -3.034 1.00 1.23 H new ATOM 0 HD13 ILE A 9 11.087 -9.201 -4.349 1.00 1.23 H new ATOM 141 N ALA A 10 8.860 -8.932 1.152 1.00 0.85 N ATOM 142 CA ALA A 10 7.883 -9.614 2.001 1.00 0.85 C ATOM 143 C ALA A 10 6.987 -8.613 2.729 1.00 0.75 C ATOM 144 O ALA A 10 5.798 -8.865 2.931 1.00 0.79 O ATOM 145 CB ALA A 10 8.587 -10.522 3.002 1.00 0.98 C ATOM 0 H ALA A 10 9.831 -9.079 1.427 1.00 0.85 H new ATOM 0 HA ALA A 10 7.251 -10.225 1.357 1.00 0.85 H new ATOM 0 HB1 ALA A 10 7.845 -11.021 3.625 1.00 0.98 H new ATOM 0 HB2 ALA A 10 9.173 -11.269 2.466 1.00 0.98 H new ATOM 0 HB3 ALA A 10 9.248 -9.926 3.632 1.00 0.98 H new ATOM 151 N GLU A 11 7.561 -7.473 3.118 1.00 0.69 N ATOM 152 CA GLU A 11 6.799 -6.434 3.816 1.00 0.64 C ATOM 153 C GLU A 11 6.012 -5.599 2.812 1.00 0.63 C ATOM 154 O GLU A 11 4.979 -5.008 3.146 1.00 0.64 O ATOM 155 CB GLU A 11 7.720 -5.527 4.638 1.00 0.69 C ATOM 156 CG GLU A 11 7.424 -5.551 6.136 1.00 0.59 C ATOM 157 CD GLU A 11 6.039 -5.026 6.486 1.00 0.65 C ATOM 158 OE1 GLU A 11 5.052 -5.784 6.351 1.00 0.81 O ATOM 159 OE2 GLU A 11 5.924 -3.846 6.895 1.00 1.18 O ATOM 0 H GLU A 11 8.543 -7.246 2.963 1.00 0.69 H new ATOM 0 HA GLU A 11 6.107 -6.926 4.500 1.00 0.64 H new ATOM 0 HB2 GLU A 11 8.754 -5.831 4.476 1.00 0.69 H new ATOM 0 HB3 GLU A 11 7.627 -4.504 4.274 1.00 0.69 H new ATOM 0 HG2 GLU A 11 7.520 -6.573 6.502 1.00 0.59 H new ATOM 0 HG3 GLU A 11 8.173 -4.954 6.657 1.00 0.59 H new ATOM 166 N PHE A 12 6.509 -5.551 1.577 1.00 0.64 N ATOM 167 CA PHE A 12 5.842 -4.811 0.514 1.00 0.67 C ATOM 168 C PHE A 12 4.543 -5.517 0.147 1.00 0.66 C ATOM 169 O PHE A 12 3.548 -4.886 -0.211 1.00 0.68 O ATOM 170 CB PHE A 12 6.738 -4.694 -0.724 1.00 0.75 C ATOM 171 CG PHE A 12 7.990 -3.881 -0.514 1.00 0.76 C ATOM 172 CD1 PHE A 12 8.060 -2.897 0.465 1.00 0.98 C ATOM 173 CD2 PHE A 12 9.102 -4.104 -1.309 1.00 1.23 C ATOM 174 CE1 PHE A 12 9.217 -2.159 0.644 1.00 1.03 C ATOM 175 CE2 PHE A 12 10.258 -3.371 -1.134 1.00 1.27 C ATOM 176 CZ PHE A 12 10.315 -2.398 -0.155 1.00 0.88 C ATOM 0 H PHE A 12 7.370 -6.016 1.291 1.00 0.64 H new ATOM 0 HA PHE A 12 5.629 -3.804 0.873 1.00 0.67 H new ATOM 0 HB2 PHE A 12 7.020 -5.695 -1.049 1.00 0.75 H new ATOM 0 HB3 PHE A 12 6.161 -4.247 -1.534 1.00 0.75 H new ATOM 0 HD1 PHE A 12 7.202 -2.706 1.093 1.00 0.98 H new ATOM 0 HD2 PHE A 12 9.064 -4.862 -2.077 1.00 1.23 H new ATOM 0 HE1 PHE A 12 9.260 -1.397 1.408 1.00 1.03 H new ATOM 0 HE2 PHE A 12 11.117 -3.558 -1.762 1.00 1.27 H new ATOM 0 HZ PHE A 12 11.220 -1.825 -0.015 1.00 0.88 H new ATOM 186 N LYS A 13 4.564 -6.838 0.262 1.00 0.65 N ATOM 187 CA LYS A 13 3.400 -7.667 -0.037 1.00 0.66 C ATOM 188 C LYS A 13 2.304 -7.483 1.016 1.00 0.61 C ATOM 189 O LYS A 13 1.133 -7.769 0.766 1.00 0.66 O ATOM 190 CB LYS A 13 3.819 -9.136 -0.130 1.00 0.71 C ATOM 191 CG LYS A 13 4.752 -9.409 -1.302 1.00 0.80 C ATOM 192 CD LYS A 13 5.213 -10.861 -1.337 1.00 0.86 C ATOM 193 CE LYS A 13 6.145 -11.120 -2.515 1.00 0.97 C ATOM 194 NZ LYS A 13 6.505 -12.560 -2.645 1.00 0.99 N ATOM 0 H LYS A 13 5.384 -7.365 0.564 1.00 0.65 H new ATOM 0 HA LYS A 13 2.990 -7.353 -0.997 1.00 0.66 H new ATOM 0 HB2 LYS A 13 4.312 -9.428 0.797 1.00 0.71 H new ATOM 0 HB3 LYS A 13 2.929 -9.758 -0.227 1.00 0.71 H new ATOM 0 HG2 LYS A 13 4.243 -9.168 -2.235 1.00 0.80 H new ATOM 0 HG3 LYS A 13 5.621 -8.754 -1.234 1.00 0.80 H new ATOM 0 HD2 LYS A 13 5.725 -11.104 -0.406 1.00 0.86 H new ATOM 0 HD3 LYS A 13 4.346 -11.518 -1.406 1.00 0.86 H new ATOM 0 HE2 LYS A 13 5.667 -10.783 -3.435 1.00 0.97 H new ATOM 0 HE3 LYS A 13 7.053 -10.530 -2.393 1.00 0.97 H new ATOM 0 HZ1 LYS A 13 7.011 -12.712 -3.541 1.00 0.99 H new ATOM 0 HZ2 LYS A 13 7.116 -12.838 -1.850 1.00 0.99 H new ATOM 0 HZ3 LYS A 13 5.639 -13.137 -2.635 1.00 0.99 H new ATOM 208 N GLU A 14 2.699 -6.986 2.183 1.00 0.57 N ATOM 209 CA GLU A 14 1.745 -6.736 3.269 1.00 0.54 C ATOM 210 C GLU A 14 0.804 -5.614 2.859 1.00 0.50 C ATOM 211 O GLU A 14 -0.325 -5.518 3.339 1.00 0.49 O ATOM 212 CB GLU A 14 2.446 -6.370 4.580 1.00 0.52 C ATOM 213 CG GLU A 14 1.673 -6.775 5.823 1.00 0.54 C ATOM 214 CD GLU A 14 1.340 -8.253 5.877 1.00 0.62 C ATOM 215 OE1 GLU A 14 0.324 -8.662 5.274 1.00 1.28 O ATOM 216 OE2 GLU A 14 2.082 -9.006 6.547 1.00 1.29 O ATOM 0 H GLU A 14 3.666 -6.748 2.405 1.00 0.57 H new ATOM 0 HA GLU A 14 1.187 -7.656 3.444 1.00 0.54 H new ATOM 0 HB2 GLU A 14 3.426 -6.846 4.602 1.00 0.52 H new ATOM 0 HB3 GLU A 14 2.614 -5.293 4.603 1.00 0.52 H new ATOM 0 HG2 GLU A 14 2.256 -6.510 6.705 1.00 0.54 H new ATOM 0 HG3 GLU A 14 0.748 -6.201 5.868 1.00 0.54 H new ATOM 223 N ALA A 15 1.265 -4.766 1.947 1.00 0.51 N ATOM 224 CA ALA A 15 0.448 -3.667 1.477 1.00 0.52 C ATOM 225 C ALA A 15 -0.706 -4.204 0.645 1.00 0.50 C ATOM 226 O ALA A 15 -1.828 -3.730 0.751 1.00 0.51 O ATOM 227 CB ALA A 15 1.269 -2.660 0.686 1.00 0.58 C ATOM 0 H ALA A 15 2.192 -4.822 1.525 1.00 0.51 H new ATOM 0 HA ALA A 15 0.045 -3.142 2.343 1.00 0.52 H new ATOM 0 HB1 ALA A 15 0.624 -1.849 0.349 1.00 0.58 H new ATOM 0 HB2 ALA A 15 2.058 -2.256 1.320 1.00 0.58 H new ATOM 0 HB3 ALA A 15 1.714 -3.152 -0.178 1.00 0.58 H new ATOM 233 N PHE A 16 -0.447 -5.246 -0.136 1.00 0.50 N ATOM 234 CA PHE A 16 -1.490 -5.830 -0.971 1.00 0.53 C ATOM 235 C PHE A 16 -2.286 -6.871 -0.192 1.00 0.56 C ATOM 236 O PHE A 16 -3.025 -7.662 -0.771 1.00 0.74 O ATOM 237 CB PHE A 16 -0.888 -6.483 -2.219 1.00 0.60 C ATOM 238 CG PHE A 16 0.205 -5.679 -2.867 1.00 0.64 C ATOM 239 CD1 PHE A 16 -0.053 -4.429 -3.410 1.00 0.78 C ATOM 240 CD2 PHE A 16 1.495 -6.178 -2.926 1.00 0.87 C ATOM 241 CE1 PHE A 16 0.957 -3.695 -4.001 1.00 0.90 C ATOM 242 CE2 PHE A 16 2.507 -5.449 -3.514 1.00 0.98 C ATOM 243 CZ PHE A 16 2.240 -4.205 -4.053 1.00 0.91 C ATOM 0 H PHE A 16 0.464 -5.699 -0.209 1.00 0.50 H new ATOM 0 HA PHE A 16 -2.157 -5.024 -1.277 1.00 0.53 H new ATOM 0 HB2 PHE A 16 -0.492 -7.462 -1.949 1.00 0.60 H new ATOM 0 HB3 PHE A 16 -1.682 -6.650 -2.947 1.00 0.60 H new ATOM 0 HD1 PHE A 16 -1.054 -4.025 -3.370 1.00 0.78 H new ATOM 0 HD2 PHE A 16 1.711 -7.149 -2.507 1.00 0.87 H new ATOM 0 HE1 PHE A 16 0.744 -2.724 -4.422 1.00 0.90 H new ATOM 0 HE2 PHE A 16 3.509 -5.851 -3.553 1.00 0.98 H new ATOM 0 HZ PHE A 16 3.032 -3.633 -4.514 1.00 0.91 H new ATOM 253 N SER A 17 -2.140 -6.862 1.122 1.00 0.49 N ATOM 254 CA SER A 17 -2.838 -7.818 1.963 1.00 0.54 C ATOM 255 C SER A 17 -3.575 -7.110 3.097 1.00 0.51 C ATOM 256 O SER A 17 -4.664 -7.518 3.495 1.00 0.59 O ATOM 257 CB SER A 17 -1.844 -8.840 2.524 1.00 0.62 C ATOM 258 OG SER A 17 -1.059 -9.411 1.487 1.00 0.73 O ATOM 0 H SER A 17 -1.546 -6.205 1.628 1.00 0.49 H new ATOM 0 HA SER A 17 -3.579 -8.339 1.356 1.00 0.54 H new ATOM 0 HB2 SER A 17 -1.193 -8.357 3.253 1.00 0.62 H new ATOM 0 HB3 SER A 17 -2.384 -9.627 3.051 1.00 0.62 H new ATOM 0 HG SER A 17 -0.325 -8.802 1.259 1.00 0.73 H new ATOM 264 N LEU A 18 -2.979 -6.040 3.607 1.00 0.44 N ATOM 265 CA LEU A 18 -3.576 -5.284 4.697 1.00 0.42 C ATOM 266 C LEU A 18 -4.291 -4.037 4.199 1.00 0.41 C ATOM 267 O LEU A 18 -5.243 -3.574 4.826 1.00 0.46 O ATOM 268 CB LEU A 18 -2.510 -4.870 5.715 1.00 0.42 C ATOM 269 CG LEU A 18 -2.015 -5.977 6.647 1.00 0.45 C ATOM 270 CD1 LEU A 18 -0.916 -5.448 7.564 1.00 0.47 C ATOM 271 CD2 LEU A 18 -3.174 -6.538 7.461 1.00 0.55 C ATOM 0 H LEU A 18 -2.083 -5.677 3.282 1.00 0.44 H new ATOM 0 HA LEU A 18 -4.307 -5.939 5.170 1.00 0.42 H new ATOM 0 HB2 LEU A 18 -1.654 -4.467 5.173 1.00 0.42 H new ATOM 0 HB3 LEU A 18 -2.911 -4.060 6.324 1.00 0.42 H new ATOM 0 HG LEU A 18 -1.597 -6.783 6.044 1.00 0.45 H new ATOM 0 HD11 LEU A 18 -0.574 -6.248 8.221 1.00 0.47 H new ATOM 0 HD12 LEU A 18 -0.080 -5.091 6.962 1.00 0.47 H new ATOM 0 HD13 LEU A 18 -1.307 -4.627 8.165 1.00 0.47 H new ATOM 0 HD21 LEU A 18 -2.808 -7.325 8.120 1.00 0.55 H new ATOM 0 HD22 LEU A 18 -3.618 -5.742 8.058 1.00 0.55 H new ATOM 0 HD23 LEU A 18 -3.926 -6.949 6.788 1.00 0.55 H new ATOM 283 N PHE A 19 -3.838 -3.480 3.081 1.00 0.43 N ATOM 284 CA PHE A 19 -4.455 -2.268 2.547 1.00 0.47 C ATOM 285 C PHE A 19 -5.711 -2.622 1.776 1.00 0.48 C ATOM 286 O PHE A 19 -6.812 -2.161 2.098 1.00 0.61 O ATOM 287 CB PHE A 19 -3.481 -1.515 1.633 1.00 0.52 C ATOM 288 CG PHE A 19 -3.373 -0.040 1.924 1.00 0.39 C ATOM 289 CD1 PHE A 19 -3.285 0.412 3.230 1.00 0.58 C ATOM 290 CD2 PHE A 19 -3.352 0.896 0.893 1.00 0.50 C ATOM 291 CE1 PHE A 19 -3.180 1.762 3.509 1.00 0.75 C ATOM 292 CE2 PHE A 19 -3.246 2.249 1.168 1.00 0.70 C ATOM 293 CZ PHE A 19 -3.159 2.680 2.479 1.00 0.79 C ATOM 0 H PHE A 19 -3.057 -3.841 2.533 1.00 0.43 H new ATOM 0 HA PHE A 19 -4.714 -1.620 3.384 1.00 0.47 H new ATOM 0 HB2 PHE A 19 -2.493 -1.965 1.725 1.00 0.52 H new ATOM 0 HB3 PHE A 19 -3.796 -1.647 0.598 1.00 0.52 H new ATOM 0 HD1 PHE A 19 -3.299 -0.300 4.042 1.00 0.58 H new ATOM 0 HD2 PHE A 19 -3.419 0.563 -0.132 1.00 0.50 H new ATOM 0 HE1 PHE A 19 -3.114 2.098 4.533 1.00 0.75 H new ATOM 0 HE2 PHE A 19 -3.231 2.966 0.360 1.00 0.70 H new ATOM 0 HZ PHE A 19 -3.075 3.734 2.697 1.00 0.79 H new ATOM 303 N ASP A 20 -5.533 -3.469 0.776 1.00 0.44 N ATOM 304 CA ASP A 20 -6.626 -3.902 -0.068 1.00 0.45 C ATOM 305 C ASP A 20 -7.403 -5.037 0.580 1.00 0.51 C ATOM 306 O ASP A 20 -6.828 -5.910 1.229 1.00 0.58 O ATOM 307 CB ASP A 20 -6.097 -4.354 -1.427 1.00 0.45 C ATOM 308 CG ASP A 20 -7.224 -4.728 -2.359 1.00 0.46 C ATOM 309 OD1 ASP A 20 -8.162 -3.914 -2.508 1.00 0.58 O ATOM 310 OD2 ASP A 20 -7.193 -5.835 -2.931 1.00 0.59 O ATOM 0 H ASP A 20 -4.629 -3.873 0.530 1.00 0.44 H new ATOM 0 HA ASP A 20 -7.299 -3.055 -0.204 1.00 0.45 H new ATOM 0 HB2 ASP A 20 -5.504 -3.555 -1.873 1.00 0.45 H new ATOM 0 HB3 ASP A 20 -5.433 -5.208 -1.295 1.00 0.45 H new ATOM 315 N LYS A 21 -8.716 -5.010 0.407 1.00 0.58 N ATOM 316 CA LYS A 21 -9.584 -6.045 0.953 1.00 0.71 C ATOM 317 C LYS A 21 -10.486 -6.570 -0.150 1.00 0.68 C ATOM 318 O LYS A 21 -11.391 -7.370 0.095 1.00 0.86 O ATOM 319 CB LYS A 21 -10.444 -5.499 2.107 1.00 0.82 C ATOM 320 CG LYS A 21 -9.693 -5.293 3.416 1.00 1.05 C ATOM 321 CD LYS A 21 -9.278 -3.843 3.589 1.00 1.10 C ATOM 322 CE LYS A 21 -8.739 -3.568 4.981 1.00 1.41 C ATOM 323 NZ LYS A 21 -7.682 -2.524 4.957 1.00 1.57 N ATOM 0 H LYS A 21 -9.206 -4.280 -0.109 1.00 0.58 H new ATOM 0 HA LYS A 21 -8.962 -6.849 1.346 1.00 0.71 H new ATOM 0 HB2 LYS A 21 -10.879 -4.548 1.800 1.00 0.82 H new ATOM 0 HB3 LYS A 21 -11.272 -6.186 2.283 1.00 0.82 H new ATOM 0 HG2 LYS A 21 -10.324 -5.595 4.252 1.00 1.05 H new ATOM 0 HG3 LYS A 21 -8.810 -5.932 3.436 1.00 1.05 H new ATOM 0 HD2 LYS A 21 -8.517 -3.593 2.850 1.00 1.10 H new ATOM 0 HD3 LYS A 21 -10.134 -3.196 3.397 1.00 1.10 H new ATOM 0 HE2 LYS A 21 -9.553 -3.249 5.631 1.00 1.41 H new ATOM 0 HE3 LYS A 21 -8.335 -4.487 5.404 1.00 1.41 H new ATOM 0 HZ1 LYS A 21 -6.782 -2.934 5.279 1.00 1.57 H new ATOM 0 HZ2 LYS A 21 -7.571 -2.164 3.987 1.00 1.57 H new ATOM 0 HZ3 LYS A 21 -7.952 -1.742 5.587 1.00 1.57 H new ATOM 337 N ASP A 22 -10.229 -6.118 -1.373 1.00 0.58 N ATOM 338 CA ASP A 22 -11.042 -6.519 -2.515 1.00 0.61 C ATOM 339 C ASP A 22 -10.430 -7.694 -3.252 1.00 0.69 C ATOM 340 O ASP A 22 -11.134 -8.443 -3.925 1.00 0.82 O ATOM 341 CB ASP A 22 -11.217 -5.362 -3.505 1.00 0.55 C ATOM 342 CG ASP A 22 -11.426 -4.019 -2.837 1.00 0.52 C ATOM 343 OD1 ASP A 22 -12.414 -3.861 -2.095 1.00 0.60 O ATOM 344 OD2 ASP A 22 -10.596 -3.105 -3.065 1.00 0.55 O ATOM 0 H ASP A 22 -9.468 -5.477 -1.598 1.00 0.58 H new ATOM 0 HA ASP A 22 -12.013 -6.811 -2.115 1.00 0.61 H new ATOM 0 HB2 ASP A 22 -10.337 -5.307 -4.146 1.00 0.55 H new ATOM 0 HB3 ASP A 22 -12.069 -5.573 -4.151 1.00 0.55 H new ATOM 349 N GLY A 23 -9.121 -7.840 -3.147 1.00 0.65 N ATOM 350 CA GLY A 23 -8.447 -8.911 -3.839 1.00 0.73 C ATOM 351 C GLY A 23 -7.905 -8.432 -5.167 1.00 0.71 C ATOM 352 O GLY A 23 -7.676 -9.225 -6.082 1.00 0.87 O ATOM 0 H GLY A 23 -8.514 -7.235 -2.594 1.00 0.65 H new ATOM 0 HA2 GLY A 23 -7.632 -9.292 -3.224 1.00 0.73 H new ATOM 0 HA3 GLY A 23 -9.138 -9.738 -4.000 1.00 0.73 H new ATOM 356 N ASP A 24 -7.714 -7.125 -5.275 1.00 0.59 N ATOM 357 CA ASP A 24 -7.180 -6.527 -6.488 1.00 0.60 C ATOM 358 C ASP A 24 -5.669 -6.336 -6.345 1.00 0.59 C ATOM 359 O ASP A 24 -4.929 -6.438 -7.324 1.00 0.74 O ATOM 360 CB ASP A 24 -7.874 -5.189 -6.820 1.00 0.58 C ATOM 361 CG ASP A 24 -7.776 -4.152 -5.712 1.00 0.48 C ATOM 362 OD1 ASP A 24 -6.665 -3.681 -5.431 1.00 0.74 O ATOM 363 OD2 ASP A 24 -8.821 -3.791 -5.112 1.00 0.61 O ATOM 0 H ASP A 24 -7.922 -6.457 -4.533 1.00 0.59 H new ATOM 0 HA ASP A 24 -7.379 -7.204 -7.319 1.00 0.60 H new ATOM 0 HB2 ASP A 24 -7.434 -4.778 -7.729 1.00 0.58 H new ATOM 0 HB3 ASP A 24 -8.926 -5.380 -7.034 1.00 0.58 H new ATOM 368 N GLY A 25 -5.217 -6.066 -5.121 1.00 0.54 N ATOM 369 CA GLY A 25 -3.793 -5.887 -4.873 1.00 0.64 C ATOM 370 C GLY A 25 -3.232 -4.643 -5.532 1.00 0.69 C ATOM 371 O GLY A 25 -2.051 -4.592 -5.876 1.00 1.30 O ATOM 0 H GLY A 25 -5.810 -5.968 -4.297 1.00 0.54 H new ATOM 0 HA2 GLY A 25 -3.621 -5.832 -3.798 1.00 0.64 H new ATOM 0 HA3 GLY A 25 -3.253 -6.761 -5.238 1.00 0.64 H new ATOM 375 N THR A 26 -4.075 -3.637 -5.702 1.00 0.46 N ATOM 376 CA THR A 26 -3.667 -2.400 -6.337 1.00 0.48 C ATOM 377 C THR A 26 -4.120 -1.187 -5.527 1.00 0.46 C ATOM 378 O THR A 26 -5.294 -1.077 -5.176 1.00 0.63 O ATOM 379 CB THR A 26 -4.249 -2.315 -7.760 1.00 0.53 C ATOM 380 OG1 THR A 26 -5.570 -2.883 -7.791 1.00 0.66 O ATOM 381 CG2 THR A 26 -3.360 -3.043 -8.753 1.00 0.66 C ATOM 0 H THR A 26 -5.051 -3.656 -5.406 1.00 0.46 H new ATOM 0 HA THR A 26 -2.578 -2.395 -6.388 1.00 0.48 H new ATOM 0 HB THR A 26 -4.300 -1.263 -8.041 1.00 0.53 H new ATOM 0 HG1 THR A 26 -5.906 -2.980 -6.876 1.00 0.66 H new ATOM 0 HG21 THR A 26 -3.792 -2.969 -9.751 1.00 0.66 H new ATOM 0 HG22 THR A 26 -2.368 -2.591 -8.753 1.00 0.66 H new ATOM 0 HG23 THR A 26 -3.281 -4.092 -8.469 1.00 0.66 H new ATOM 389 N ILE A 27 -3.191 -0.281 -5.225 1.00 0.37 N ATOM 390 CA ILE A 27 -3.532 0.906 -4.439 1.00 0.36 C ATOM 391 C ILE A 27 -4.296 1.925 -5.275 1.00 0.32 C ATOM 392 O ILE A 27 -3.753 2.508 -6.219 1.00 0.37 O ATOM 393 CB ILE A 27 -2.291 1.601 -3.821 1.00 0.40 C ATOM 394 CG1 ILE A 27 -1.563 0.639 -2.871 1.00 0.46 C ATOM 395 CG2 ILE A 27 -2.707 2.877 -3.083 1.00 0.42 C ATOM 396 CD1 ILE A 27 -0.377 1.252 -2.150 1.00 0.50 C ATOM 0 H ILE A 27 -2.212 -0.342 -5.506 1.00 0.37 H new ATOM 0 HA ILE A 27 -4.161 0.544 -3.626 1.00 0.36 H new ATOM 0 HB ILE A 27 -1.607 1.877 -4.624 1.00 0.40 H new ATOM 0 HG12 ILE A 27 -2.273 0.272 -2.130 1.00 0.46 H new ATOM 0 HG13 ILE A 27 -1.220 -0.225 -3.440 1.00 0.46 H new ATOM 0 HG21 ILE A 27 -1.825 3.354 -2.655 1.00 0.42 H new ATOM 0 HG22 ILE A 27 -3.186 3.562 -3.782 1.00 0.42 H new ATOM 0 HG23 ILE A 27 -3.406 2.625 -2.286 1.00 0.42 H new ATOM 0 HD11 ILE A 27 0.079 0.505 -1.500 1.00 0.50 H new ATOM 0 HD12 ILE A 27 0.356 1.594 -2.881 1.00 0.50 H new ATOM 0 HD13 ILE A 27 -0.713 2.098 -1.551 1.00 0.50 H new ATOM 408 N THR A 28 -5.562 2.108 -4.931 1.00 0.28 N ATOM 409 CA THR A 28 -6.417 3.067 -5.601 1.00 0.28 C ATOM 410 C THR A 28 -6.860 4.118 -4.593 1.00 0.27 C ATOM 411 O THR A 28 -6.499 4.041 -3.414 1.00 0.29 O ATOM 412 CB THR A 28 -7.677 2.405 -6.205 1.00 0.32 C ATOM 413 OG1 THR A 28 -8.593 2.052 -5.158 1.00 0.73 O ATOM 414 CG2 THR A 28 -7.326 1.165 -7.014 1.00 0.77 C ATOM 0 H THR A 28 -6.022 1.594 -4.179 1.00 0.28 H new ATOM 0 HA THR A 28 -5.844 3.510 -6.416 1.00 0.28 H new ATOM 0 HB THR A 28 -8.142 3.127 -6.876 1.00 0.32 H new ATOM 0 HG1 THR A 28 -8.091 1.818 -4.350 1.00 0.73 H new ATOM 0 HG21 THR A 28 -8.237 0.727 -7.423 1.00 0.77 H new ATOM 0 HG22 THR A 28 -6.658 1.440 -7.830 1.00 0.77 H new ATOM 0 HG23 THR A 28 -6.832 0.438 -6.370 1.00 0.77 H new ATOM 422 N THR A 29 -7.620 5.109 -5.043 1.00 0.29 N ATOM 423 CA THR A 29 -8.127 6.142 -4.151 1.00 0.33 C ATOM 424 C THR A 29 -8.960 5.537 -3.026 1.00 0.31 C ATOM 425 O THR A 29 -9.036 6.092 -1.930 1.00 0.32 O ATOM 426 CB THR A 29 -9.002 7.149 -4.917 1.00 0.40 C ATOM 427 OG1 THR A 29 -8.827 6.969 -6.328 1.00 0.48 O ATOM 428 CG2 THR A 29 -8.646 8.576 -4.527 1.00 0.59 C ATOM 0 H THR A 29 -7.898 5.218 -6.018 1.00 0.29 H new ATOM 0 HA THR A 29 -7.261 6.652 -3.730 1.00 0.33 H new ATOM 0 HB THR A 29 -10.046 6.971 -4.657 1.00 0.40 H new ATOM 0 HG1 THR A 29 -9.387 7.611 -6.812 1.00 0.48 H new ATOM 0 HG21 THR A 29 -9.276 9.272 -5.080 1.00 0.59 H new ATOM 0 HG22 THR A 29 -8.807 8.712 -3.458 1.00 0.59 H new ATOM 0 HG23 THR A 29 -7.599 8.768 -4.764 1.00 0.59 H new ATOM 436 N LYS A 30 -9.577 4.389 -3.297 1.00 0.31 N ATOM 437 CA LYS A 30 -10.411 3.718 -2.316 1.00 0.33 C ATOM 438 C LYS A 30 -9.603 3.218 -1.116 1.00 0.33 C ATOM 439 O LYS A 30 -10.018 3.396 0.027 1.00 0.38 O ATOM 440 CB LYS A 30 -11.150 2.545 -2.962 1.00 0.36 C ATOM 441 CG LYS A 30 -11.894 1.683 -1.964 1.00 0.38 C ATOM 442 CD LYS A 30 -12.167 0.304 -2.523 1.00 0.43 C ATOM 443 CE LYS A 30 -12.981 -0.523 -1.552 1.00 0.51 C ATOM 444 NZ LYS A 30 -13.702 -1.622 -2.237 1.00 0.56 N ATOM 0 H LYS A 30 -9.511 3.906 -4.193 1.00 0.31 H new ATOM 0 HA LYS A 30 -11.130 4.451 -1.951 1.00 0.33 H new ATOM 0 HB2 LYS A 30 -11.857 2.930 -3.697 1.00 0.36 H new ATOM 0 HB3 LYS A 30 -10.433 1.927 -3.503 1.00 0.36 H new ATOM 0 HG2 LYS A 30 -11.310 1.597 -1.048 1.00 0.38 H new ATOM 0 HG3 LYS A 30 -12.836 2.162 -1.697 1.00 0.38 H new ATOM 0 HD2 LYS A 30 -12.701 0.390 -3.469 1.00 0.43 H new ATOM 0 HD3 LYS A 30 -11.224 -0.200 -2.734 1.00 0.43 H new ATOM 0 HE2 LYS A 30 -12.324 -0.939 -0.789 1.00 0.51 H new ATOM 0 HE3 LYS A 30 -13.698 0.119 -1.040 1.00 0.51 H new ATOM 0 HZ1 LYS A 30 -14.723 -1.530 -2.062 1.00 0.56 H new ATOM 0 HZ2 LYS A 30 -13.520 -1.572 -3.260 1.00 0.56 H new ATOM 0 HZ3 LYS A 30 -13.369 -2.537 -1.871 1.00 0.56 H new ATOM 458 N GLU A 31 -8.453 2.604 -1.372 1.00 0.31 N ATOM 459 CA GLU A 31 -7.624 2.065 -0.291 1.00 0.35 C ATOM 460 C GLU A 31 -6.822 3.170 0.391 1.00 0.34 C ATOM 461 O GLU A 31 -6.418 3.038 1.543 1.00 0.39 O ATOM 462 CB GLU A 31 -6.682 0.972 -0.812 1.00 0.37 C ATOM 463 CG GLU A 31 -7.393 -0.307 -1.242 1.00 0.41 C ATOM 464 CD GLU A 31 -7.773 -0.306 -2.709 1.00 0.35 C ATOM 465 OE1 GLU A 31 -7.426 0.663 -3.408 1.00 0.86 O ATOM 466 OE2 GLU A 31 -8.426 -1.281 -3.169 1.00 0.87 O ATOM 0 H GLU A 31 -8.073 2.466 -2.308 1.00 0.31 H new ATOM 0 HA GLU A 31 -8.294 1.622 0.446 1.00 0.35 H new ATOM 0 HB2 GLU A 31 -6.119 1.365 -1.659 1.00 0.37 H new ATOM 0 HB3 GLU A 31 -5.958 0.729 -0.034 1.00 0.37 H new ATOM 0 HG2 GLU A 31 -6.747 -1.161 -1.040 1.00 0.41 H new ATOM 0 HG3 GLU A 31 -8.292 -0.437 -0.639 1.00 0.41 H new ATOM 473 N LEU A 32 -6.627 4.268 -0.317 1.00 0.31 N ATOM 474 CA LEU A 32 -5.870 5.390 0.221 1.00 0.33 C ATOM 475 C LEU A 32 -6.763 6.280 1.090 1.00 0.35 C ATOM 476 O LEU A 32 -6.338 6.764 2.142 1.00 0.47 O ATOM 477 CB LEU A 32 -5.260 6.206 -0.918 1.00 0.34 C ATOM 478 CG LEU A 32 -4.378 7.390 -0.502 1.00 0.37 C ATOM 479 CD1 LEU A 32 -3.030 6.920 0.042 1.00 0.36 C ATOM 480 CD2 LEU A 32 -4.181 8.321 -1.684 1.00 0.43 C ATOM 0 H LEU A 32 -6.980 4.409 -1.263 1.00 0.31 H new ATOM 0 HA LEU A 32 -5.067 4.997 0.845 1.00 0.33 H new ATOM 0 HB2 LEU A 32 -4.665 5.537 -1.539 1.00 0.34 H new ATOM 0 HB3 LEU A 32 -6.070 6.584 -1.542 1.00 0.34 H new ATOM 0 HG LEU A 32 -4.883 7.928 0.300 1.00 0.37 H new ATOM 0 HD11 LEU A 32 -2.431 7.785 0.327 1.00 0.36 H new ATOM 0 HD12 LEU A 32 -3.191 6.287 0.914 1.00 0.36 H new ATOM 0 HD13 LEU A 32 -2.505 6.353 -0.727 1.00 0.36 H new ATOM 0 HD21 LEU A 32 -3.554 9.161 -1.385 1.00 0.43 H new ATOM 0 HD22 LEU A 32 -3.698 7.779 -2.497 1.00 0.43 H new ATOM 0 HD23 LEU A 32 -5.149 8.692 -2.020 1.00 0.43 H new ATOM 492 N GLY A 33 -8.005 6.468 0.661 1.00 0.30 N ATOM 493 CA GLY A 33 -8.924 7.312 1.399 1.00 0.33 C ATOM 494 C GLY A 33 -9.482 6.656 2.649 1.00 0.34 C ATOM 495 O GLY A 33 -9.729 7.331 3.647 1.00 0.36 O ATOM 0 H GLY A 33 -8.392 6.051 -0.185 1.00 0.30 H new ATOM 0 HA2 GLY A 33 -8.413 8.233 1.680 1.00 0.33 H new ATOM 0 HA3 GLY A 33 -9.751 7.592 0.746 1.00 0.33 H new ATOM 499 N THR A 34 -9.661 5.342 2.603 1.00 0.36 N ATOM 500 CA THR A 34 -10.223 4.599 3.730 1.00 0.39 C ATOM 501 C THR A 34 -9.374 4.728 4.987 1.00 0.40 C ATOM 502 O THR A 34 -9.902 4.953 6.081 1.00 0.46 O ATOM 503 CB THR A 34 -10.364 3.105 3.405 1.00 0.43 C ATOM 504 OG1 THR A 34 -9.309 2.694 2.528 1.00 0.42 O ATOM 505 CG2 THR A 34 -11.714 2.809 2.772 1.00 0.47 C ATOM 0 H THR A 34 -9.425 4.765 1.796 1.00 0.36 H new ATOM 0 HA THR A 34 -11.204 5.038 3.911 1.00 0.39 H new ATOM 0 HB THR A 34 -10.296 2.544 4.337 1.00 0.43 H new ATOM 0 HG1 THR A 34 -9.613 2.757 1.598 1.00 0.42 H new ATOM 0 HG21 THR A 34 -11.787 1.744 2.552 1.00 0.47 H new ATOM 0 HG22 THR A 34 -12.509 3.093 3.462 1.00 0.47 H new ATOM 0 HG23 THR A 34 -11.815 3.378 1.848 1.00 0.47 H new ATOM 513 N VAL A 35 -8.063 4.593 4.838 1.00 0.40 N ATOM 514 CA VAL A 35 -7.174 4.668 5.974 1.00 0.43 C ATOM 515 C VAL A 35 -7.174 6.078 6.570 1.00 0.40 C ATOM 516 O VAL A 35 -7.322 6.240 7.781 1.00 0.42 O ATOM 517 CB VAL A 35 -5.737 4.201 5.619 1.00 0.51 C ATOM 518 CG1 VAL A 35 -5.119 5.028 4.500 1.00 1.14 C ATOM 519 CG2 VAL A 35 -4.853 4.227 6.853 1.00 1.38 C ATOM 0 H VAL A 35 -7.600 4.432 3.944 1.00 0.40 H new ATOM 0 HA VAL A 35 -7.550 3.980 6.732 1.00 0.43 H new ATOM 0 HB VAL A 35 -5.811 3.177 5.254 1.00 0.51 H new ATOM 0 HG11 VAL A 35 -4.114 4.662 4.289 1.00 1.14 H new ATOM 0 HG12 VAL A 35 -5.732 4.942 3.603 1.00 1.14 H new ATOM 0 HG13 VAL A 35 -5.068 6.073 4.806 1.00 1.14 H new ATOM 0 HG21 VAL A 35 -3.849 3.897 6.588 1.00 1.38 H new ATOM 0 HG22 VAL A 35 -4.809 5.242 7.248 1.00 1.38 H new ATOM 0 HG23 VAL A 35 -5.266 3.561 7.610 1.00 1.38 H new ATOM 529 N MET A 36 -7.025 7.088 5.712 1.00 0.38 N ATOM 530 CA MET A 36 -7.036 8.483 6.140 1.00 0.40 C ATOM 531 C MET A 36 -8.322 8.830 6.888 1.00 0.37 C ATOM 532 O MET A 36 -8.283 9.440 7.954 1.00 0.39 O ATOM 533 CB MET A 36 -6.864 9.392 4.920 1.00 0.46 C ATOM 534 CG MET A 36 -5.474 9.310 4.297 1.00 0.82 C ATOM 535 SD MET A 36 -5.176 10.558 3.027 1.00 0.85 S ATOM 536 CE MET A 36 -3.458 10.235 2.606 1.00 0.83 C ATOM 0 H MET A 36 -6.894 6.961 4.708 1.00 0.38 H new ATOM 0 HA MET A 36 -6.207 8.638 6.830 1.00 0.40 H new ATOM 0 HB2 MET A 36 -7.607 9.125 4.169 1.00 0.46 H new ATOM 0 HB3 MET A 36 -7.063 10.423 5.213 1.00 0.46 H new ATOM 0 HG2 MET A 36 -4.726 9.417 5.083 1.00 0.82 H new ATOM 0 HG3 MET A 36 -5.338 8.320 3.861 1.00 0.82 H new ATOM 0 HE1 MET A 36 -3.078 11.044 1.983 1.00 0.83 H new ATOM 0 HE2 MET A 36 -2.866 10.171 3.519 1.00 0.83 H new ATOM 0 HE3 MET A 36 -3.388 9.294 2.061 1.00 0.83 H new ATOM 546 N ARG A 37 -9.455 8.417 6.329 1.00 0.36 N ATOM 547 CA ARG A 37 -10.767 8.666 6.932 1.00 0.38 C ATOM 548 C ARG A 37 -10.855 8.069 8.340 1.00 0.40 C ATOM 549 O ARG A 37 -11.563 8.584 9.205 1.00 0.45 O ATOM 550 CB ARG A 37 -11.869 8.076 6.038 1.00 0.41 C ATOM 551 CG ARG A 37 -13.283 8.258 6.579 1.00 0.51 C ATOM 552 CD ARG A 37 -14.306 8.405 5.455 1.00 0.71 C ATOM 553 NE ARG A 37 -15.223 7.262 5.369 1.00 1.03 N ATOM 554 CZ ARG A 37 -15.674 6.733 4.222 1.00 1.51 C ATOM 555 NH1 ARG A 37 -15.284 7.229 3.050 1.00 1.88 N ATOM 556 NH2 ARG A 37 -16.530 5.716 4.250 1.00 1.95 N ATOM 0 H ARG A 37 -9.494 7.902 5.449 1.00 0.36 H new ATOM 0 HA ARG A 37 -10.905 9.744 7.017 1.00 0.38 H new ATOM 0 HB2 ARG A 37 -11.807 8.539 5.053 1.00 0.41 H new ATOM 0 HB3 ARG A 37 -11.679 7.011 5.903 1.00 0.41 H new ATOM 0 HG2 ARG A 37 -13.547 7.403 7.201 1.00 0.51 H new ATOM 0 HG3 ARG A 37 -13.317 9.140 7.219 1.00 0.51 H new ATOM 0 HD2 ARG A 37 -14.882 9.317 5.611 1.00 0.71 H new ATOM 0 HD3 ARG A 37 -13.783 8.518 4.506 1.00 0.71 H new ATOM 0 HE ARG A 37 -15.539 6.841 6.242 1.00 1.03 H new ATOM 0 HH11 ARG A 37 -14.637 8.017 3.020 1.00 1.88 H new ATOM 0 HH12 ARG A 37 -15.632 6.821 2.182 1.00 1.88 H new ATOM 0 HH21 ARG A 37 -16.844 5.338 5.144 1.00 1.95 H new ATOM 0 HH22 ARG A 37 -16.873 5.314 3.378 1.00 1.95 H new ATOM 570 N SER A 38 -10.118 6.996 8.564 1.00 0.42 N ATOM 571 CA SER A 38 -10.116 6.323 9.850 1.00 0.45 C ATOM 572 C SER A 38 -8.905 6.734 10.692 1.00 0.46 C ATOM 573 O SER A 38 -8.702 6.228 11.797 1.00 0.59 O ATOM 574 CB SER A 38 -10.113 4.811 9.619 1.00 0.53 C ATOM 575 OG SER A 38 -11.003 4.458 8.569 1.00 0.58 O ATOM 0 H SER A 38 -9.509 6.569 7.866 1.00 0.42 H new ATOM 0 HA SER A 38 -11.011 6.613 10.401 1.00 0.45 H new ATOM 0 HB2 SER A 38 -9.104 4.478 9.374 1.00 0.53 H new ATOM 0 HB3 SER A 38 -10.404 4.298 10.536 1.00 0.53 H new ATOM 0 HG SER A 38 -10.575 4.633 7.705 1.00 0.58 H new ATOM 581 N LEU A 39 -8.117 7.668 10.173 1.00 0.40 N ATOM 582 CA LEU A 39 -6.917 8.128 10.861 1.00 0.43 C ATOM 583 C LEU A 39 -7.045 9.590 11.289 1.00 0.46 C ATOM 584 O LEU A 39 -6.527 9.983 12.332 1.00 0.58 O ATOM 585 CB LEU A 39 -5.697 7.938 9.952 1.00 0.44 C ATOM 586 CG LEU A 39 -4.397 7.523 10.649 1.00 0.46 C ATOM 587 CD1 LEU A 39 -4.510 6.111 11.203 1.00 0.72 C ATOM 588 CD2 LEU A 39 -3.229 7.622 9.678 1.00 0.52 C ATOM 0 H LEU A 39 -8.288 8.122 9.276 1.00 0.40 H new ATOM 0 HA LEU A 39 -6.789 7.533 11.765 1.00 0.43 H new ATOM 0 HB2 LEU A 39 -5.941 7.184 9.203 1.00 0.44 H new ATOM 0 HB3 LEU A 39 -5.518 8.871 9.418 1.00 0.44 H new ATOM 0 HG LEU A 39 -4.219 8.201 11.483 1.00 0.46 H new ATOM 0 HD11 LEU A 39 -3.576 5.837 11.694 1.00 0.72 H new ATOM 0 HD12 LEU A 39 -5.325 6.068 11.925 1.00 0.72 H new ATOM 0 HD13 LEU A 39 -4.710 5.415 10.388 1.00 0.72 H new ATOM 0 HD21 LEU A 39 -2.310 7.325 10.183 1.00 0.52 H new ATOM 0 HD22 LEU A 39 -3.405 6.963 8.828 1.00 0.52 H new ATOM 0 HD23 LEU A 39 -3.134 8.649 9.327 1.00 0.52 H new ATOM 600 N GLY A 40 -7.734 10.398 10.491 1.00 0.44 N ATOM 601 CA GLY A 40 -7.896 11.797 10.833 1.00 0.50 C ATOM 602 C GLY A 40 -8.912 12.501 9.960 1.00 0.50 C ATOM 603 O GLY A 40 -8.608 13.537 9.365 1.00 0.56 O ATOM 0 H GLY A 40 -8.180 10.111 9.620 1.00 0.44 H new ATOM 0 HA2 GLY A 40 -8.202 11.878 11.876 1.00 0.50 H new ATOM 0 HA3 GLY A 40 -6.934 12.302 10.743 1.00 0.50 H new ATOM 607 N GLN A 41 -10.113 11.929 9.887 1.00 0.49 N ATOM 608 CA GLN A 41 -11.217 12.483 9.099 1.00 0.54 C ATOM 609 C GLN A 41 -10.996 12.298 7.603 1.00 0.51 C ATOM 610 O GLN A 41 -9.961 11.799 7.163 1.00 0.60 O ATOM 611 CB GLN A 41 -11.437 13.966 9.414 1.00 0.62 C ATOM 612 CG GLN A 41 -12.895 14.334 9.633 1.00 1.04 C ATOM 613 CD GLN A 41 -13.549 13.480 10.701 1.00 1.93 C ATOM 614 OE1 GLN A 41 -14.124 12.430 10.411 1.00 2.45 O ATOM 615 NE2 GLN A 41 -13.456 13.919 11.942 1.00 2.83 N ATOM 0 H GLN A 41 -10.350 11.065 10.374 1.00 0.49 H new ATOM 0 HA GLN A 41 -12.111 11.928 9.382 1.00 0.54 H new ATOM 0 HB2 GLN A 41 -10.868 14.227 10.306 1.00 0.62 H new ATOM 0 HB3 GLN A 41 -11.039 14.565 8.595 1.00 0.62 H new ATOM 0 HG2 GLN A 41 -12.964 15.384 9.918 1.00 1.04 H new ATOM 0 HG3 GLN A 41 -13.441 14.221 8.696 1.00 1.04 H new ATOM 0 HE21 GLN A 41 -12.971 14.794 12.138 1.00 2.83 H new ATOM 0 HE22 GLN A 41 -13.869 13.383 12.705 1.00 2.83 H new ATOM 624 N ASN A 42 -11.989 12.697 6.834 1.00 0.53 N ATOM 625 CA ASN A 42 -11.945 12.585 5.393 1.00 0.53 C ATOM 626 C ASN A 42 -11.992 13.970 4.774 1.00 0.50 C ATOM 627 O ASN A 42 -12.915 14.741 5.045 1.00 0.56 O ATOM 628 CB ASN A 42 -13.134 11.750 4.916 1.00 0.67 C ATOM 629 CG ASN A 42 -12.983 11.242 3.496 1.00 0.73 C ATOM 630 OD1 ASN A 42 -12.603 10.089 3.272 1.00 0.96 O ATOM 631 ND2 ASN A 42 -13.289 12.088 2.529 1.00 0.63 N ATOM 0 H ASN A 42 -12.850 13.109 7.193 1.00 0.53 H new ATOM 0 HA ASN A 42 -11.020 12.096 5.088 1.00 0.53 H new ATOM 0 HB2 ASN A 42 -13.263 10.900 5.586 1.00 0.67 H new ATOM 0 HB3 ASN A 42 -14.041 12.351 4.984 1.00 0.67 H new ATOM 0 HD21 ASN A 42 -13.215 11.797 1.554 1.00 0.63 H new ATOM 0 HD22 ASN A 42 -13.599 13.033 2.757 1.00 0.63 H new ATOM 638 N PRO A 43 -10.998 14.320 3.944 1.00 0.49 N ATOM 639 CA PRO A 43 -10.954 15.625 3.291 1.00 0.54 C ATOM 640 C PRO A 43 -11.917 15.681 2.111 1.00 0.50 C ATOM 641 O PRO A 43 -12.808 14.838 1.991 1.00 0.48 O ATOM 642 CB PRO A 43 -9.507 15.733 2.819 1.00 0.61 C ATOM 643 CG PRO A 43 -9.048 14.328 2.626 1.00 0.60 C ATOM 644 CD PRO A 43 -9.853 13.470 3.571 1.00 0.56 C ATOM 0 HA PRO A 43 -11.251 16.440 3.951 1.00 0.54 H new ATOM 0 HB2 PRO A 43 -9.438 16.300 1.891 1.00 0.61 H new ATOM 0 HB3 PRO A 43 -8.891 16.250 3.555 1.00 0.61 H new ATOM 0 HG2 PRO A 43 -9.198 14.011 1.594 1.00 0.60 H new ATOM 0 HG3 PRO A 43 -7.982 14.238 2.835 1.00 0.60 H new ATOM 0 HD2 PRO A 43 -10.181 12.548 3.091 1.00 0.56 H new ATOM 0 HD3 PRO A 43 -9.268 13.183 4.445 1.00 0.56 H new ATOM 652 N THR A 44 -11.756 16.658 1.241 1.00 0.57 N ATOM 653 CA THR A 44 -12.637 16.762 0.099 1.00 0.59 C ATOM 654 C THR A 44 -12.170 15.836 -1.009 1.00 0.53 C ATOM 655 O THR A 44 -11.009 15.416 -1.030 1.00 0.50 O ATOM 656 CB THR A 44 -12.727 18.202 -0.439 1.00 0.71 C ATOM 657 OG1 THR A 44 -11.420 18.713 -0.727 1.00 0.72 O ATOM 658 CG2 THR A 44 -13.416 19.105 0.568 1.00 0.80 C ATOM 0 H THR A 44 -11.037 17.378 1.301 1.00 0.57 H new ATOM 0 HA THR A 44 -13.632 16.469 0.435 1.00 0.59 H new ATOM 0 HB THR A 44 -13.312 18.183 -1.358 1.00 0.71 H new ATOM 0 HG1 THR A 44 -10.983 18.982 0.108 1.00 0.72 H new ATOM 0 HG21 THR A 44 -13.470 20.118 0.170 1.00 0.80 H new ATOM 0 HG22 THR A 44 -14.424 18.735 0.759 1.00 0.80 H new ATOM 0 HG23 THR A 44 -12.849 19.111 1.499 1.00 0.80 H new ATOM 666 N GLU A 45 -13.081 15.504 -1.909 1.00 0.58 N ATOM 667 CA GLU A 45 -12.770 14.637 -3.033 1.00 0.58 C ATOM 668 C GLU A 45 -11.624 15.218 -3.856 1.00 0.57 C ATOM 669 O GLU A 45 -10.791 14.481 -4.383 1.00 0.56 O ATOM 670 CB GLU A 45 -14.003 14.456 -3.914 1.00 0.68 C ATOM 671 CG GLU A 45 -15.086 13.589 -3.292 1.00 0.81 C ATOM 672 CD GLU A 45 -16.103 14.388 -2.500 1.00 1.39 C ATOM 673 OE1 GLU A 45 -15.869 15.592 -2.251 1.00 2.13 O ATOM 674 OE2 GLU A 45 -17.149 13.818 -2.135 1.00 1.82 O ATOM 0 H GLU A 45 -14.049 15.825 -1.882 1.00 0.58 H new ATOM 0 HA GLU A 45 -12.464 13.666 -2.645 1.00 0.58 H new ATOM 0 HB2 GLU A 45 -14.422 15.436 -4.140 1.00 0.68 H new ATOM 0 HB3 GLU A 45 -13.698 14.013 -4.862 1.00 0.68 H new ATOM 0 HG2 GLU A 45 -15.599 13.038 -4.080 1.00 0.81 H new ATOM 0 HG3 GLU A 45 -14.622 12.852 -2.637 1.00 0.81 H new ATOM 681 N ALA A 46 -11.585 16.545 -3.955 1.00 0.60 N ATOM 682 CA ALA A 46 -10.532 17.227 -4.696 1.00 0.61 C ATOM 683 C ALA A 46 -9.178 16.925 -4.079 1.00 0.55 C ATOM 684 O ALA A 46 -8.212 16.608 -4.774 1.00 0.54 O ATOM 685 CB ALA A 46 -10.768 18.726 -4.700 1.00 0.70 C ATOM 0 H ALA A 46 -12.272 17.168 -3.530 1.00 0.60 H new ATOM 0 HA ALA A 46 -10.547 16.865 -5.724 1.00 0.61 H new ATOM 0 HB1 ALA A 46 -9.972 19.218 -5.258 1.00 0.70 H new ATOM 0 HB2 ALA A 46 -11.727 18.942 -5.170 1.00 0.70 H new ATOM 0 HB3 ALA A 46 -10.775 19.096 -3.675 1.00 0.70 H new ATOM 691 N GLU A 47 -9.124 17.026 -2.758 1.00 0.54 N ATOM 692 CA GLU A 47 -7.901 16.768 -2.013 1.00 0.51 C ATOM 693 C GLU A 47 -7.497 15.312 -2.149 1.00 0.46 C ATOM 694 O GLU A 47 -6.319 14.994 -2.318 1.00 0.46 O ATOM 695 CB GLU A 47 -8.105 17.119 -0.542 1.00 0.55 C ATOM 696 CG GLU A 47 -8.147 18.615 -0.285 1.00 0.66 C ATOM 697 CD GLU A 47 -8.660 18.953 1.097 1.00 0.72 C ATOM 698 OE1 GLU A 47 -9.849 18.679 1.379 1.00 0.76 O ATOM 699 OE2 GLU A 47 -7.882 19.493 1.910 1.00 0.81 O ATOM 0 H GLU A 47 -9.921 17.287 -2.177 1.00 0.54 H new ATOM 0 HA GLU A 47 -7.104 17.390 -2.421 1.00 0.51 H new ATOM 0 HB2 GLU A 47 -9.035 16.671 -0.194 1.00 0.55 H new ATOM 0 HB3 GLU A 47 -7.299 16.678 0.045 1.00 0.55 H new ATOM 0 HG2 GLU A 47 -7.146 19.029 -0.409 1.00 0.66 H new ATOM 0 HG3 GLU A 47 -8.783 19.090 -1.031 1.00 0.66 H new ATOM 706 N LEU A 48 -8.486 14.432 -2.086 1.00 0.44 N ATOM 707 CA LEU A 48 -8.246 13.004 -2.206 1.00 0.44 C ATOM 708 C LEU A 48 -7.723 12.673 -3.599 1.00 0.43 C ATOM 709 O LEU A 48 -6.784 11.889 -3.754 1.00 0.43 O ATOM 710 CB LEU A 48 -9.530 12.220 -1.918 1.00 0.51 C ATOM 711 CG LEU A 48 -9.338 10.727 -1.652 1.00 0.64 C ATOM 712 CD1 LEU A 48 -8.536 10.505 -0.379 1.00 0.76 C ATOM 713 CD2 LEU A 48 -10.682 10.017 -1.575 1.00 0.73 C ATOM 0 H LEU A 48 -9.465 14.685 -1.952 1.00 0.44 H new ATOM 0 HA LEU A 48 -7.493 12.715 -1.473 1.00 0.44 H new ATOM 0 HB2 LEU A 48 -10.022 12.666 -1.054 1.00 0.51 H new ATOM 0 HB3 LEU A 48 -10.206 12.337 -2.765 1.00 0.51 H new ATOM 0 HG LEU A 48 -8.777 10.302 -2.484 1.00 0.64 H new ATOM 0 HD11 LEU A 48 -8.412 9.436 -0.209 1.00 0.76 H new ATOM 0 HD12 LEU A 48 -7.557 10.973 -0.480 1.00 0.76 H new ATOM 0 HD13 LEU A 48 -9.064 10.947 0.466 1.00 0.76 H new ATOM 0 HD21 LEU A 48 -10.522 8.956 -1.385 1.00 0.73 H new ATOM 0 HD22 LEU A 48 -11.274 10.445 -0.766 1.00 0.73 H new ATOM 0 HD23 LEU A 48 -11.214 10.141 -2.519 1.00 0.73 H new ATOM 725 N GLN A 49 -8.328 13.281 -4.615 1.00 0.45 N ATOM 726 CA GLN A 49 -7.912 13.048 -5.989 1.00 0.47 C ATOM 727 C GLN A 49 -6.508 13.597 -6.227 1.00 0.46 C ATOM 728 O GLN A 49 -5.660 12.920 -6.807 1.00 0.48 O ATOM 729 CB GLN A 49 -8.889 13.687 -6.973 1.00 0.53 C ATOM 730 CG GLN A 49 -8.573 13.361 -8.418 1.00 0.74 C ATOM 731 CD GLN A 49 -9.301 14.271 -9.371 1.00 0.84 C ATOM 732 OE1 GLN A 49 -10.410 13.974 -9.808 1.00 0.99 O ATOM 733 NE2 GLN A 49 -8.685 15.395 -9.696 1.00 1.12 N ATOM 0 H GLN A 49 -9.104 13.935 -4.511 1.00 0.45 H new ATOM 0 HA GLN A 49 -7.905 11.971 -6.155 1.00 0.47 H new ATOM 0 HB2 GLN A 49 -9.900 13.350 -6.743 1.00 0.53 H new ATOM 0 HB3 GLN A 49 -8.875 14.769 -6.839 1.00 0.53 H new ATOM 0 HG2 GLN A 49 -7.499 13.447 -8.583 1.00 0.74 H new ATOM 0 HG3 GLN A 49 -8.846 12.326 -8.625 1.00 0.74 H new ATOM 0 HE21 GLN A 49 -7.764 15.602 -9.310 1.00 1.12 H new ATOM 0 HE22 GLN A 49 -9.131 16.055 -10.333 1.00 1.12 H new ATOM 742 N ASP A 50 -6.269 14.828 -5.774 1.00 0.45 N ATOM 743 CA ASP A 50 -4.962 15.470 -5.938 1.00 0.46 C ATOM 744 C ASP A 50 -3.857 14.609 -5.332 1.00 0.42 C ATOM 745 O ASP A 50 -2.751 14.525 -5.868 1.00 0.45 O ATOM 746 CB ASP A 50 -4.962 16.856 -5.283 1.00 0.51 C ATOM 747 CG ASP A 50 -3.565 17.419 -5.132 1.00 0.60 C ATOM 748 OD1 ASP A 50 -2.970 17.802 -6.157 1.00 1.42 O ATOM 749 OD2 ASP A 50 -3.059 17.480 -3.990 1.00 1.10 O ATOM 0 H ASP A 50 -6.961 15.401 -5.291 1.00 0.45 H new ATOM 0 HA ASP A 50 -4.771 15.582 -7.005 1.00 0.46 H new ATOM 0 HB2 ASP A 50 -5.564 17.539 -5.883 1.00 0.51 H new ATOM 0 HB3 ASP A 50 -5.434 16.792 -4.302 1.00 0.51 H new ATOM 754 N MET A 51 -4.188 13.946 -4.233 1.00 0.39 N ATOM 755 CA MET A 51 -3.241 13.090 -3.533 1.00 0.38 C ATOM 756 C MET A 51 -2.867 11.872 -4.376 1.00 0.37 C ATOM 757 O MET A 51 -1.690 11.545 -4.499 1.00 0.38 O ATOM 758 CB MET A 51 -3.820 12.635 -2.194 1.00 0.41 C ATOM 759 CG MET A 51 -3.071 13.180 -0.989 1.00 0.45 C ATOM 760 SD MET A 51 -1.355 12.631 -0.936 1.00 0.54 S ATOM 761 CE MET A 51 -1.598 10.867 -0.784 1.00 0.40 C ATOM 0 H MET A 51 -5.113 13.985 -3.804 1.00 0.39 H new ATOM 0 HA MET A 51 -2.338 13.674 -3.353 1.00 0.38 H new ATOM 0 HB2 MET A 51 -4.863 12.947 -2.134 1.00 0.41 H new ATOM 0 HB3 MET A 51 -3.810 11.546 -2.155 1.00 0.41 H new ATOM 0 HG2 MET A 51 -3.100 14.269 -1.010 1.00 0.45 H new ATOM 0 HG3 MET A 51 -3.578 12.865 -0.077 1.00 0.45 H new ATOM 0 HE1 MET A 51 -0.742 10.424 -0.275 1.00 0.40 H new ATOM 0 HE2 MET A 51 -2.503 10.673 -0.208 1.00 0.40 H new ATOM 0 HE3 MET A 51 -1.697 10.427 -1.776 1.00 0.40 H new ATOM 771 N ILE A 52 -3.862 11.213 -4.973 1.00 0.39 N ATOM 772 CA ILE A 52 -3.590 10.034 -5.793 1.00 0.43 C ATOM 773 C ILE A 52 -2.869 10.439 -7.080 1.00 0.47 C ATOM 774 O ILE A 52 -2.153 9.644 -7.683 1.00 0.52 O ATOM 775 CB ILE A 52 -4.873 9.209 -6.110 1.00 0.48 C ATOM 776 CG1 ILE A 52 -4.501 7.779 -6.534 1.00 0.49 C ATOM 777 CG2 ILE A 52 -5.722 9.881 -7.187 1.00 0.59 C ATOM 778 CD1 ILE A 52 -3.937 6.920 -5.412 1.00 0.46 C ATOM 0 H ILE A 52 -4.847 11.471 -4.906 1.00 0.39 H new ATOM 0 HA ILE A 52 -2.941 9.381 -5.210 1.00 0.43 H new ATOM 0 HB ILE A 52 -5.470 9.163 -5.199 1.00 0.48 H new ATOM 0 HG12 ILE A 52 -5.387 7.291 -6.939 1.00 0.49 H new ATOM 0 HG13 ILE A 52 -3.769 7.830 -7.340 1.00 0.49 H new ATOM 0 HG21 ILE A 52 -6.608 9.277 -7.381 1.00 0.59 H new ATOM 0 HG22 ILE A 52 -6.025 10.871 -6.846 1.00 0.59 H new ATOM 0 HG23 ILE A 52 -5.139 9.976 -8.103 1.00 0.59 H new ATOM 0 HD11 ILE A 52 -3.701 5.928 -5.797 1.00 0.46 H new ATOM 0 HD12 ILE A 52 -3.031 7.382 -5.020 1.00 0.46 H new ATOM 0 HD13 ILE A 52 -4.674 6.834 -4.614 1.00 0.46 H new ATOM 790 N ASN A 53 -3.033 11.698 -7.466 1.00 0.50 N ATOM 791 CA ASN A 53 -2.378 12.229 -8.658 1.00 0.57 C ATOM 792 C ASN A 53 -0.928 12.564 -8.326 1.00 0.56 C ATOM 793 O ASN A 53 -0.051 12.564 -9.189 1.00 0.61 O ATOM 794 CB ASN A 53 -3.135 13.471 -9.159 1.00 0.65 C ATOM 795 CG ASN A 53 -2.234 14.531 -9.773 1.00 0.72 C ATOM 796 OD1 ASN A 53 -2.008 14.552 -10.983 1.00 0.98 O ATOM 797 ND2 ASN A 53 -1.715 15.427 -8.945 1.00 1.06 N ATOM 0 H ASN A 53 -3.615 12.373 -6.970 1.00 0.50 H new ATOM 0 HA ASN A 53 -2.390 11.484 -9.454 1.00 0.57 H new ATOM 0 HB2 ASN A 53 -3.873 13.161 -9.899 1.00 0.65 H new ATOM 0 HB3 ASN A 53 -3.684 13.911 -8.326 1.00 0.65 H new ATOM 0 HD21 ASN A 53 -1.108 16.163 -9.305 1.00 1.06 H new ATOM 0 HD22 ASN A 53 -1.923 15.380 -7.948 1.00 1.06 H new ATOM 804 N GLU A 54 -0.691 12.820 -7.049 1.00 0.50 N ATOM 805 CA GLU A 54 0.633 13.158 -6.551 1.00 0.51 C ATOM 806 C GLU A 54 1.494 11.902 -6.435 1.00 0.50 C ATOM 807 O GLU A 54 2.698 11.979 -6.199 1.00 0.71 O ATOM 808 CB GLU A 54 0.494 13.843 -5.187 1.00 0.53 C ATOM 809 CG GLU A 54 1.736 14.579 -4.704 1.00 0.62 C ATOM 810 CD GLU A 54 2.016 15.831 -5.502 1.00 0.91 C ATOM 811 OE1 GLU A 54 1.232 16.796 -5.395 1.00 1.46 O ATOM 812 OE2 GLU A 54 3.031 15.861 -6.223 1.00 1.58 O ATOM 0 H GLU A 54 -1.412 12.799 -6.328 1.00 0.50 H new ATOM 0 HA GLU A 54 1.122 13.838 -7.248 1.00 0.51 H new ATOM 0 HB2 GLU A 54 -0.333 14.551 -5.236 1.00 0.53 H new ATOM 0 HB3 GLU A 54 0.225 13.090 -4.446 1.00 0.53 H new ATOM 0 HG2 GLU A 54 1.612 14.842 -3.653 1.00 0.62 H new ATOM 0 HG3 GLU A 54 2.596 13.913 -4.767 1.00 0.62 H new ATOM 819 N VAL A 55 0.868 10.742 -6.601 1.00 0.48 N ATOM 820 CA VAL A 55 1.577 9.475 -6.508 1.00 0.46 C ATOM 821 C VAL A 55 1.510 8.687 -7.819 1.00 0.47 C ATOM 822 O VAL A 55 2.538 8.247 -8.336 1.00 0.69 O ATOM 823 CB VAL A 55 1.050 8.599 -5.338 1.00 0.47 C ATOM 824 CG1 VAL A 55 -0.454 8.703 -5.176 1.00 0.39 C ATOM 825 CG2 VAL A 55 1.441 7.152 -5.534 1.00 0.82 C ATOM 0 H VAL A 55 -0.129 10.655 -6.800 1.00 0.48 H new ATOM 0 HA VAL A 55 2.619 9.724 -6.308 1.00 0.46 H new ATOM 0 HB VAL A 55 1.512 8.980 -4.428 1.00 0.47 H new ATOM 0 HG11 VAL A 55 -0.775 8.073 -4.346 1.00 0.39 H new ATOM 0 HG12 VAL A 55 -0.727 9.738 -4.973 1.00 0.39 H new ATOM 0 HG13 VAL A 55 -0.942 8.372 -6.093 1.00 0.39 H new ATOM 0 HG21 VAL A 55 1.062 6.557 -4.703 1.00 0.82 H new ATOM 0 HG22 VAL A 55 1.016 6.784 -6.468 1.00 0.82 H new ATOM 0 HG23 VAL A 55 2.527 7.071 -5.572 1.00 0.82 H new ATOM 835 N ASP A 56 0.311 8.534 -8.369 1.00 0.52 N ATOM 836 CA ASP A 56 0.137 7.774 -9.602 1.00 0.52 C ATOM 837 C ASP A 56 0.523 8.611 -10.813 1.00 0.62 C ATOM 838 O ASP A 56 -0.227 9.483 -11.244 1.00 0.70 O ATOM 839 CB ASP A 56 -1.305 7.284 -9.733 1.00 0.53 C ATOM 840 CG ASP A 56 -1.500 6.413 -10.954 1.00 0.52 C ATOM 841 OD1 ASP A 56 -1.088 5.228 -10.917 1.00 0.52 O ATOM 842 OD2 ASP A 56 -2.073 6.894 -11.952 1.00 0.57 O ATOM 0 H ASP A 56 -0.550 8.923 -7.984 1.00 0.52 H new ATOM 0 HA ASP A 56 0.796 6.907 -9.560 1.00 0.52 H new ATOM 0 HB2 ASP A 56 -1.579 6.723 -8.840 1.00 0.53 H new ATOM 0 HB3 ASP A 56 -1.975 8.142 -9.789 1.00 0.53 H new ATOM 847 N ALA A 57 1.694 8.328 -11.361 1.00 0.68 N ATOM 848 CA ALA A 57 2.209 9.069 -12.508 1.00 0.81 C ATOM 849 C ALA A 57 1.568 8.637 -13.819 1.00 0.81 C ATOM 850 O ALA A 57 1.512 9.411 -14.770 1.00 0.88 O ATOM 851 CB ALA A 57 3.714 8.902 -12.602 1.00 0.90 C ATOM 0 H ALA A 57 2.311 7.586 -11.030 1.00 0.68 H new ATOM 0 HA ALA A 57 1.956 10.117 -12.348 1.00 0.81 H new ATOM 0 HB1 ALA A 57 4.089 9.459 -13.461 1.00 0.90 H new ATOM 0 HB2 ALA A 57 4.180 9.281 -11.692 1.00 0.90 H new ATOM 0 HB3 ALA A 57 3.956 7.846 -12.720 1.00 0.90 H new ATOM 857 N ASP A 58 1.090 7.403 -13.869 1.00 0.76 N ATOM 858 CA ASP A 58 0.473 6.866 -15.072 1.00 0.79 C ATOM 859 C ASP A 58 -0.804 7.624 -15.430 1.00 0.80 C ATOM 860 O ASP A 58 -1.062 7.893 -16.609 1.00 0.85 O ATOM 861 CB ASP A 58 0.231 5.335 -14.979 1.00 0.76 C ATOM 862 CG ASP A 58 0.205 4.752 -13.564 1.00 0.61 C ATOM 863 OD1 ASP A 58 0.949 5.208 -12.682 1.00 0.59 O ATOM 864 OD2 ASP A 58 -0.558 3.795 -13.309 1.00 0.62 O ATOM 0 H ASP A 58 1.118 6.751 -13.085 1.00 0.76 H new ATOM 0 HA ASP A 58 1.182 7.017 -15.886 1.00 0.79 H new ATOM 0 HB2 ASP A 58 -0.718 5.106 -15.464 1.00 0.76 H new ATOM 0 HB3 ASP A 58 1.011 4.827 -15.547 1.00 0.76 H new ATOM 869 N GLY A 59 -1.594 7.991 -14.428 1.00 0.85 N ATOM 870 CA GLY A 59 -2.803 8.752 -14.687 1.00 0.90 C ATOM 871 C GLY A 59 -4.062 7.912 -14.640 1.00 0.91 C ATOM 872 O GLY A 59 -5.029 8.189 -15.355 1.00 1.03 O ATOM 0 H GLY A 59 -1.421 7.777 -13.446 1.00 0.85 H new ATOM 0 HA2 GLY A 59 -2.883 9.555 -13.954 1.00 0.90 H new ATOM 0 HA3 GLY A 59 -2.725 9.222 -15.667 1.00 0.90 H new ATOM 876 N ASN A 60 -4.052 6.879 -13.810 1.00 0.82 N ATOM 877 CA ASN A 60 -5.216 6.007 -13.663 1.00 0.85 C ATOM 878 C ASN A 60 -5.602 5.863 -12.198 1.00 0.78 C ATOM 879 O ASN A 60 -6.618 5.253 -11.871 1.00 0.93 O ATOM 880 CB ASN A 60 -4.968 4.627 -14.289 1.00 0.88 C ATOM 881 CG ASN A 60 -3.654 3.996 -13.873 1.00 0.93 C ATOM 882 OD1 ASN A 60 -3.299 3.971 -12.693 1.00 1.23 O ATOM 883 ND2 ASN A 60 -2.916 3.495 -14.849 1.00 1.61 N ATOM 0 H ASN A 60 -3.255 6.622 -13.228 1.00 0.82 H new ATOM 0 HA ASN A 60 -6.044 6.473 -14.197 1.00 0.85 H new ATOM 0 HB2 ASN A 60 -5.785 3.960 -14.012 1.00 0.88 H new ATOM 0 HB3 ASN A 60 -4.988 4.722 -15.375 1.00 0.88 H new ATOM 0 HD21 ASN A 60 -2.015 3.067 -14.638 1.00 1.61 H new ATOM 0 HD22 ASN A 60 -3.248 3.537 -15.812 1.00 1.61 H new ATOM 890 N GLY A 61 -4.779 6.422 -11.320 1.00 0.64 N ATOM 891 CA GLY A 61 -5.061 6.361 -9.900 1.00 0.63 C ATOM 892 C GLY A 61 -4.982 4.949 -9.360 1.00 0.58 C ATOM 893 O GLY A 61 -5.751 4.568 -8.478 1.00 0.67 O ATOM 0 H GLY A 61 -3.921 6.916 -11.566 1.00 0.64 H new ATOM 0 HA2 GLY A 61 -4.353 6.993 -9.364 1.00 0.63 H new ATOM 0 HA3 GLY A 61 -6.056 6.765 -9.711 1.00 0.63 H new ATOM 897 N THR A 62 -4.071 4.165 -9.907 1.00 0.53 N ATOM 898 CA THR A 62 -3.893 2.794 -9.479 1.00 0.52 C ATOM 899 C THR A 62 -2.408 2.429 -9.496 1.00 0.49 C ATOM 900 O THR A 62 -1.699 2.707 -10.479 1.00 0.54 O ATOM 901 CB THR A 62 -4.662 1.820 -10.401 1.00 0.58 C ATOM 902 OG1 THR A 62 -5.995 2.302 -10.654 1.00 0.65 O ATOM 903 CG2 THR A 62 -4.736 0.434 -9.783 1.00 0.65 C ATOM 0 H THR A 62 -3.440 4.459 -10.653 1.00 0.53 H new ATOM 0 HA THR A 62 -4.286 2.706 -8.466 1.00 0.52 H new ATOM 0 HB THR A 62 -4.118 1.760 -11.344 1.00 0.58 H new ATOM 0 HG1 THR A 62 -6.465 1.673 -11.240 1.00 0.65 H new ATOM 0 HG21 THR A 62 -5.282 -0.233 -10.450 1.00 0.65 H new ATOM 0 HG22 THR A 62 -3.728 0.049 -9.630 1.00 0.65 H new ATOM 0 HG23 THR A 62 -5.252 0.490 -8.824 1.00 0.65 H new ATOM 911 N ILE A 63 -1.926 1.832 -8.413 1.00 0.47 N ATOM 912 CA ILE A 63 -0.526 1.437 -8.332 1.00 0.46 C ATOM 913 C ILE A 63 -0.383 -0.088 -8.292 1.00 0.50 C ATOM 914 O ILE A 63 -0.954 -0.760 -7.429 1.00 0.48 O ATOM 915 CB ILE A 63 0.172 2.111 -7.118 1.00 0.43 C ATOM 916 CG1 ILE A 63 0.882 3.397 -7.584 1.00 0.44 C ATOM 917 CG2 ILE A 63 1.151 1.174 -6.412 1.00 0.45 C ATOM 918 CD1 ILE A 63 2.152 3.729 -6.818 1.00 0.42 C ATOM 0 H ILE A 63 -2.479 1.612 -7.585 1.00 0.47 H new ATOM 0 HA ILE A 63 -0.024 1.786 -9.234 1.00 0.46 H new ATOM 0 HB ILE A 63 -0.596 2.361 -6.386 1.00 0.43 H new ATOM 0 HG12 ILE A 63 1.126 3.299 -8.642 1.00 0.44 H new ATOM 0 HG13 ILE A 63 0.189 4.233 -7.493 1.00 0.44 H new ATOM 0 HG21 ILE A 63 1.611 1.694 -5.572 1.00 0.45 H new ATOM 0 HG22 ILE A 63 0.616 0.297 -6.047 1.00 0.45 H new ATOM 0 HG23 ILE A 63 1.925 0.861 -7.113 1.00 0.45 H new ATOM 0 HD11 ILE A 63 2.585 4.648 -7.212 1.00 0.42 H new ATOM 0 HD12 ILE A 63 1.916 3.863 -5.762 1.00 0.42 H new ATOM 0 HD13 ILE A 63 2.868 2.914 -6.929 1.00 0.42 H new ATOM 930 N ASP A 64 0.351 -0.620 -9.266 1.00 0.57 N ATOM 931 CA ASP A 64 0.597 -2.057 -9.379 1.00 0.64 C ATOM 932 C ASP A 64 1.896 -2.444 -8.661 1.00 0.65 C ATOM 933 O ASP A 64 2.549 -1.594 -8.044 1.00 0.61 O ATOM 934 CB ASP A 64 0.665 -2.445 -10.867 1.00 0.70 C ATOM 935 CG ASP A 64 0.263 -3.886 -11.137 1.00 0.82 C ATOM 936 OD1 ASP A 64 1.052 -4.802 -10.826 1.00 0.95 O ATOM 937 OD2 ASP A 64 -0.843 -4.105 -11.685 1.00 1.09 O ATOM 0 H ASP A 64 0.793 -0.067 -10.000 1.00 0.57 H new ATOM 0 HA ASP A 64 -0.221 -2.598 -8.902 1.00 0.64 H new ATOM 0 HB2 ASP A 64 0.015 -1.782 -11.437 1.00 0.70 H new ATOM 0 HB3 ASP A 64 1.680 -2.285 -11.230 1.00 0.70 H new ATOM 942 N PHE A 65 2.263 -3.720 -8.746 1.00 0.73 N ATOM 943 CA PHE A 65 3.473 -4.230 -8.100 1.00 0.77 C ATOM 944 C PHE A 65 4.718 -3.404 -8.483 1.00 0.75 C ATOM 945 O PHE A 65 5.415 -2.912 -7.597 1.00 0.75 O ATOM 946 CB PHE A 65 3.691 -5.721 -8.419 1.00 0.88 C ATOM 947 CG PHE A 65 2.550 -6.623 -8.014 1.00 1.13 C ATOM 948 CD1 PHE A 65 2.091 -6.646 -6.706 1.00 1.38 C ATOM 949 CD2 PHE A 65 1.947 -7.458 -8.944 1.00 1.40 C ATOM 950 CE1 PHE A 65 1.054 -7.481 -6.334 1.00 1.68 C ATOM 951 CE2 PHE A 65 0.910 -8.295 -8.575 1.00 1.70 C ATOM 952 CZ PHE A 65 0.462 -8.307 -7.269 1.00 1.78 C ATOM 0 H PHE A 65 1.736 -4.426 -9.260 1.00 0.73 H new ATOM 0 HA PHE A 65 3.327 -4.129 -7.025 1.00 0.77 H new ATOM 0 HB2 PHE A 65 3.860 -5.829 -9.490 1.00 0.88 H new ATOM 0 HB3 PHE A 65 4.599 -6.058 -7.918 1.00 0.88 H new ATOM 0 HD1 PHE A 65 2.549 -6.004 -5.969 1.00 1.38 H new ATOM 0 HD2 PHE A 65 2.292 -7.454 -9.968 1.00 1.40 H new ATOM 0 HE1 PHE A 65 0.707 -7.487 -5.311 1.00 1.68 H new ATOM 0 HE2 PHE A 65 0.450 -8.940 -9.309 1.00 1.70 H new ATOM 0 HZ PHE A 65 -0.348 -8.960 -6.980 1.00 1.78 H new ATOM 962 N PRO A 66 5.030 -3.229 -9.795 1.00 0.76 N ATOM 963 CA PRO A 66 6.202 -2.445 -10.224 1.00 0.78 C ATOM 964 C PRO A 66 6.179 -0.989 -9.742 1.00 0.73 C ATOM 965 O PRO A 66 7.229 -0.403 -9.473 1.00 0.77 O ATOM 966 CB PRO A 66 6.144 -2.478 -11.757 1.00 0.79 C ATOM 967 CG PRO A 66 4.792 -2.992 -12.117 1.00 0.77 C ATOM 968 CD PRO A 66 4.314 -3.811 -10.952 1.00 0.79 C ATOM 0 HA PRO A 66 7.112 -2.870 -9.801 1.00 0.78 H new ATOM 0 HB2 PRO A 66 6.305 -1.483 -12.173 1.00 0.79 H new ATOM 0 HB3 PRO A 66 6.925 -3.122 -12.161 1.00 0.79 H new ATOM 0 HG2 PRO A 66 4.106 -2.169 -12.318 1.00 0.77 H new ATOM 0 HG3 PRO A 66 4.837 -3.597 -13.022 1.00 0.77 H new ATOM 0 HD2 PRO A 66 3.233 -3.741 -10.830 1.00 0.79 H new ATOM 0 HD3 PRO A 66 4.552 -4.867 -11.080 1.00 0.79 H new ATOM 976 N GLU A 67 4.985 -0.413 -9.630 1.00 0.66 N ATOM 977 CA GLU A 67 4.836 0.978 -9.205 1.00 0.62 C ATOM 978 C GLU A 67 5.186 1.120 -7.729 1.00 0.62 C ATOM 979 O GLU A 67 5.894 2.047 -7.325 1.00 0.64 O ATOM 980 CB GLU A 67 3.401 1.466 -9.448 1.00 0.58 C ATOM 981 CG GLU A 67 3.024 1.627 -10.918 1.00 0.60 C ATOM 982 CD GLU A 67 1.539 1.920 -11.111 1.00 0.54 C ATOM 983 OE1 GLU A 67 1.117 3.098 -10.990 1.00 0.52 O ATOM 984 OE2 GLU A 67 0.778 0.979 -11.380 1.00 0.61 O ATOM 0 H GLU A 67 4.104 -0.888 -9.828 1.00 0.66 H new ATOM 0 HA GLU A 67 5.519 1.590 -9.794 1.00 0.62 H new ATOM 0 HB2 GLU A 67 2.709 0.763 -8.984 1.00 0.58 H new ATOM 0 HB3 GLU A 67 3.267 2.424 -8.945 1.00 0.58 H new ATOM 0 HG2 GLU A 67 3.610 2.436 -11.354 1.00 0.60 H new ATOM 0 HG3 GLU A 67 3.285 0.717 -11.459 1.00 0.60 H new ATOM 991 N PHE A 68 4.711 0.171 -6.934 1.00 0.60 N ATOM 992 CA PHE A 68 4.962 0.182 -5.501 1.00 0.59 C ATOM 993 C PHE A 68 6.446 -0.039 -5.210 1.00 0.63 C ATOM 994 O PHE A 68 7.035 0.669 -4.391 1.00 0.67 O ATOM 995 CB PHE A 68 4.102 -0.887 -4.813 1.00 0.60 C ATOM 996 CG PHE A 68 4.123 -0.818 -3.308 1.00 0.58 C ATOM 997 CD1 PHE A 68 3.228 -0.010 -2.625 1.00 0.55 C ATOM 998 CD2 PHE A 68 5.039 -1.560 -2.579 1.00 0.71 C ATOM 999 CE1 PHE A 68 3.243 0.054 -1.244 1.00 0.62 C ATOM 1000 CE2 PHE A 68 5.060 -1.498 -1.198 1.00 0.77 C ATOM 1001 CZ PHE A 68 4.163 -0.690 -0.530 1.00 0.71 C ATOM 0 H PHE A 68 4.149 -0.616 -7.258 1.00 0.60 H new ATOM 0 HA PHE A 68 4.688 1.159 -5.102 1.00 0.59 H new ATOM 0 HB2 PHE A 68 3.072 -0.786 -5.156 1.00 0.60 H new ATOM 0 HB3 PHE A 68 4.447 -1.872 -5.126 1.00 0.60 H new ATOM 0 HD1 PHE A 68 2.510 0.577 -3.178 1.00 0.55 H new ATOM 0 HD2 PHE A 68 5.744 -2.194 -3.096 1.00 0.71 H new ATOM 0 HE1 PHE A 68 2.537 0.684 -0.724 1.00 0.62 H new ATOM 0 HE2 PHE A 68 5.779 -2.082 -0.642 1.00 0.77 H new ATOM 0 HZ PHE A 68 4.180 -0.639 0.549 1.00 0.71 H new ATOM 1011 N LEU A 69 7.051 -1.004 -5.907 1.00 0.66 N ATOM 1012 CA LEU A 69 8.469 -1.322 -5.717 1.00 0.72 C ATOM 1013 C LEU A 69 9.358 -0.112 -6.016 1.00 0.76 C ATOM 1014 O LEU A 69 10.434 0.028 -5.446 1.00 0.82 O ATOM 1015 CB LEU A 69 8.886 -2.495 -6.614 1.00 0.75 C ATOM 1016 CG LEU A 69 8.129 -3.811 -6.400 1.00 0.79 C ATOM 1017 CD1 LEU A 69 8.674 -4.880 -7.332 1.00 0.82 C ATOM 1018 CD2 LEU A 69 8.220 -4.280 -4.952 1.00 0.90 C ATOM 0 H LEU A 69 6.582 -1.578 -6.607 1.00 0.66 H new ATOM 0 HA LEU A 69 8.601 -1.601 -4.672 1.00 0.72 H new ATOM 0 HB2 LEU A 69 8.761 -2.193 -7.654 1.00 0.75 H new ATOM 0 HB3 LEU A 69 9.949 -2.682 -6.462 1.00 0.75 H new ATOM 0 HG LEU A 69 7.077 -3.635 -6.627 1.00 0.79 H new ATOM 0 HD11 LEU A 69 8.131 -5.812 -7.174 1.00 0.82 H new ATOM 0 HD12 LEU A 69 8.550 -4.559 -8.366 1.00 0.82 H new ATOM 0 HD13 LEU A 69 9.733 -5.037 -7.126 1.00 0.82 H new ATOM 0 HD21 LEU A 69 7.672 -5.215 -4.837 1.00 0.90 H new ATOM 0 HD22 LEU A 69 9.265 -4.437 -4.685 1.00 0.90 H new ATOM 0 HD23 LEU A 69 7.788 -3.524 -4.297 1.00 0.90 H new ATOM 1030 N THR A 70 8.909 0.755 -6.915 1.00 0.75 N ATOM 1031 CA THR A 70 9.678 1.935 -7.281 1.00 0.82 C ATOM 1032 C THR A 70 9.492 3.079 -6.277 1.00 0.78 C ATOM 1033 O THR A 70 10.461 3.712 -5.856 1.00 0.98 O ATOM 1034 CB THR A 70 9.296 2.421 -8.700 1.00 0.89 C ATOM 1035 OG1 THR A 70 9.408 1.337 -9.639 1.00 0.95 O ATOM 1036 CG2 THR A 70 10.193 3.565 -9.156 1.00 1.02 C ATOM 0 H THR A 70 8.018 0.663 -7.403 1.00 0.75 H new ATOM 0 HA THR A 70 10.728 1.643 -7.269 1.00 0.82 H new ATOM 0 HB THR A 70 8.267 2.778 -8.660 1.00 0.89 H new ATOM 0 HG1 THR A 70 8.630 0.747 -9.552 1.00 0.95 H new ATOM 0 HG21 THR A 70 9.898 3.882 -10.156 1.00 1.02 H new ATOM 0 HG22 THR A 70 10.094 4.403 -8.465 1.00 1.02 H new ATOM 0 HG23 THR A 70 11.230 3.230 -9.173 1.00 1.02 H new ATOM 1044 N MET A 71 8.250 3.320 -5.879 1.00 0.69 N ATOM 1045 CA MET A 71 7.930 4.405 -4.955 1.00 0.66 C ATOM 1046 C MET A 71 8.494 4.171 -3.553 1.00 0.66 C ATOM 1047 O MET A 71 9.156 5.043 -2.998 1.00 0.69 O ATOM 1048 CB MET A 71 6.417 4.585 -4.877 1.00 0.67 C ATOM 1049 CG MET A 71 5.989 5.821 -4.109 1.00 0.68 C ATOM 1050 SD MET A 71 4.202 5.940 -3.965 1.00 0.63 S ATOM 1051 CE MET A 71 4.060 7.208 -2.723 1.00 0.67 C ATOM 0 H MET A 71 7.442 2.776 -6.182 1.00 0.69 H new ATOM 0 HA MET A 71 8.399 5.309 -5.345 1.00 0.66 H new ATOM 0 HB2 MET A 71 6.014 4.639 -5.888 1.00 0.67 H new ATOM 0 HB3 MET A 71 5.979 3.705 -4.405 1.00 0.67 H new ATOM 0 HG2 MET A 71 6.432 5.801 -3.113 1.00 0.68 H new ATOM 0 HG3 MET A 71 6.372 6.710 -4.610 1.00 0.68 H new ATOM 0 HE1 MET A 71 3.013 7.489 -2.608 1.00 0.67 H new ATOM 0 HE2 MET A 71 4.442 6.832 -1.774 1.00 0.67 H new ATOM 0 HE3 MET A 71 4.638 8.081 -3.026 1.00 0.67 H new ATOM 1061 N MET A 72 8.254 2.988 -2.997 1.00 0.71 N ATOM 1062 CA MET A 72 8.714 2.676 -1.642 1.00 0.77 C ATOM 1063 C MET A 72 10.216 2.423 -1.569 1.00 0.84 C ATOM 1064 O MET A 72 10.737 2.074 -0.513 1.00 0.99 O ATOM 1065 CB MET A 72 7.961 1.476 -1.072 1.00 0.84 C ATOM 1066 CG MET A 72 6.783 1.860 -0.193 1.00 0.79 C ATOM 1067 SD MET A 72 5.583 2.903 -1.051 1.00 0.65 S ATOM 1068 CE MET A 72 4.526 3.411 0.304 1.00 0.64 C ATOM 0 H MET A 72 7.747 2.232 -3.457 1.00 0.71 H new ATOM 0 HA MET A 72 8.501 3.559 -1.039 1.00 0.77 H new ATOM 0 HB2 MET A 72 7.603 0.858 -1.895 1.00 0.84 H new ATOM 0 HB3 MET A 72 8.653 0.865 -0.492 1.00 0.84 H new ATOM 0 HG2 MET A 72 6.287 0.955 0.158 1.00 0.79 H new ATOM 0 HG3 MET A 72 7.149 2.385 0.689 1.00 0.79 H new ATOM 0 HE1 MET A 72 4.071 4.373 0.070 1.00 0.64 H new ATOM 0 HE2 MET A 72 3.744 2.667 0.454 1.00 0.64 H new ATOM 0 HE3 MET A 72 5.119 3.502 1.214 1.00 0.64 H new ATOM 1078 N ALA A 73 10.911 2.580 -2.680 1.00 0.92 N ATOM 1079 CA ALA A 73 12.350 2.388 -2.691 1.00 0.99 C ATOM 1080 C ALA A 73 13.047 3.700 -3.012 1.00 1.02 C ATOM 1081 O ALA A 73 14.261 3.833 -2.857 1.00 1.21 O ATOM 1082 CB ALA A 73 12.741 1.306 -3.679 1.00 1.06 C ATOM 0 H ALA A 73 10.507 2.838 -3.580 1.00 0.92 H new ATOM 0 HA ALA A 73 12.668 2.062 -1.701 1.00 0.99 H new ATOM 0 HB1 ALA A 73 13.824 1.179 -3.670 1.00 1.06 H new ATOM 0 HB2 ALA A 73 12.264 0.367 -3.398 1.00 1.06 H new ATOM 0 HB3 ALA A 73 12.417 1.593 -4.680 1.00 1.06 H new ATOM 1088 N ARG A 74 12.258 4.675 -3.437 1.00 0.99 N ATOM 1089 CA ARG A 74 12.778 5.989 -3.777 1.00 1.04 C ATOM 1090 C ARG A 74 12.868 6.858 -2.528 1.00 0.99 C ATOM 1091 O ARG A 74 12.258 7.923 -2.454 1.00 1.02 O ATOM 1092 CB ARG A 74 11.886 6.661 -4.823 1.00 1.13 C ATOM 1093 CG ARG A 74 12.568 6.877 -6.165 1.00 1.37 C ATOM 1094 CD ARG A 74 13.731 7.852 -6.053 1.00 1.71 C ATOM 1095 NE ARG A 74 13.397 9.029 -5.250 1.00 1.78 N ATOM 1096 CZ ARG A 74 14.023 10.202 -5.357 1.00 2.20 C ATOM 1097 NH1 ARG A 74 15.018 10.357 -6.220 1.00 2.56 N ATOM 1098 NH2 ARG A 74 13.654 11.222 -4.598 1.00 2.56 N ATOM 0 H ARG A 74 11.249 4.579 -3.555 1.00 0.99 H new ATOM 0 HA ARG A 74 13.777 5.870 -4.196 1.00 1.04 H new ATOM 0 HB2 ARG A 74 10.995 6.051 -4.973 1.00 1.13 H new ATOM 0 HB3 ARG A 74 11.552 7.624 -4.437 1.00 1.13 H new ATOM 0 HG2 ARG A 74 12.929 5.922 -6.548 1.00 1.37 H new ATOM 0 HG3 ARG A 74 11.843 7.256 -6.885 1.00 1.37 H new ATOM 0 HD2 ARG A 74 14.587 7.343 -5.609 1.00 1.71 H new ATOM 0 HD3 ARG A 74 14.032 8.170 -7.051 1.00 1.71 H new ATOM 0 HE ARG A 74 12.642 8.948 -4.569 1.00 1.78 H new ATOM 0 HH11 ARG A 74 15.310 9.576 -6.808 1.00 2.56 H new ATOM 0 HH12 ARG A 74 15.492 11.257 -6.296 1.00 2.56 H new ATOM 0 HH21 ARG A 74 12.891 11.111 -3.931 1.00 2.56 H new ATOM 0 HH22 ARG A 74 14.133 12.119 -4.680 1.00 2.56 H new ATOM 1112 N LYS A 75 13.625 6.388 -1.547 1.00 1.13 N ATOM 1113 CA LYS A 75 13.799 7.109 -0.296 1.00 1.20 C ATOM 1114 C LYS A 75 14.793 8.258 -0.449 1.00 1.26 C ATOM 1115 O LYS A 75 15.872 8.098 -1.027 1.00 1.34 O ATOM 1116 CB LYS A 75 14.262 6.147 0.807 1.00 1.29 C ATOM 1117 CG LYS A 75 15.583 5.458 0.501 1.00 1.61 C ATOM 1118 CD LYS A 75 16.289 4.994 1.768 1.00 1.88 C ATOM 1119 CE LYS A 75 16.729 6.165 2.644 1.00 2.51 C ATOM 1120 NZ LYS A 75 17.749 7.024 1.983 1.00 3.25 N ATOM 0 H LYS A 75 14.132 5.504 -1.595 1.00 1.13 H new ATOM 0 HA LYS A 75 12.836 7.537 -0.016 1.00 1.20 H new ATOM 0 HB2 LYS A 75 14.358 6.699 1.742 1.00 1.29 H new ATOM 0 HB3 LYS A 75 13.494 5.389 0.962 1.00 1.29 H new ATOM 0 HG2 LYS A 75 15.404 4.602 -0.149 1.00 1.61 H new ATOM 0 HG3 LYS A 75 16.231 6.143 -0.046 1.00 1.61 H new ATOM 0 HD2 LYS A 75 15.622 4.347 2.337 1.00 1.88 H new ATOM 0 HD3 LYS A 75 17.160 4.396 1.499 1.00 1.88 H new ATOM 0 HE2 LYS A 75 15.859 6.771 2.898 1.00 2.51 H new ATOM 0 HE3 LYS A 75 17.134 5.781 3.580 1.00 2.51 H new ATOM 0 HZ1 LYS A 75 18.593 7.089 2.588 1.00 3.25 H new ATOM 0 HZ2 LYS A 75 18.011 6.609 1.066 1.00 3.25 H new ATOM 0 HZ3 LYS A 75 17.357 7.975 1.833 1.00 3.25 H new ATOM 1134 N MET A 76 14.416 9.417 0.064 1.00 1.32 N ATOM 1135 CA MET A 76 15.265 10.595 0.009 1.00 1.43 C ATOM 1136 C MET A 76 16.161 10.635 1.235 1.00 1.44 C ATOM 1137 O MET A 76 16.165 9.704 2.045 1.00 1.49 O ATOM 1138 CB MET A 76 14.414 11.873 -0.057 1.00 1.57 C ATOM 1139 CG MET A 76 13.775 12.123 -1.416 1.00 1.80 C ATOM 1140 SD MET A 76 12.314 11.106 -1.707 1.00 2.45 S ATOM 1141 CE MET A 76 11.149 11.860 -0.574 1.00 2.59 C ATOM 0 H MET A 76 13.520 9.568 0.527 1.00 1.32 H new ATOM 0 HA MET A 76 15.879 10.542 -0.890 1.00 1.43 H new ATOM 0 HB2 MET A 76 13.629 11.813 0.697 1.00 1.57 H new ATOM 0 HB3 MET A 76 15.040 12.727 0.201 1.00 1.57 H new ATOM 0 HG2 MET A 76 13.500 13.175 -1.494 1.00 1.80 H new ATOM 0 HG3 MET A 76 14.509 11.927 -2.198 1.00 1.80 H new ATOM 0 HE1 MET A 76 10.134 11.588 -0.862 1.00 2.59 H new ATOM 0 HE2 MET A 76 11.346 11.508 0.438 1.00 2.59 H new ATOM 0 HE3 MET A 76 11.257 12.944 -0.609 1.00 2.59 H new ATOM 1151 N LYS A 77 16.923 11.703 1.362 1.00 1.50 N ATOM 1152 CA LYS A 77 17.804 11.880 2.502 1.00 1.56 C ATOM 1153 C LYS A 77 17.143 12.842 3.478 1.00 1.66 C ATOM 1154 O LYS A 77 17.643 13.093 4.576 1.00 2.06 O ATOM 1155 CB LYS A 77 19.165 12.409 2.041 1.00 1.64 C ATOM 1156 CG LYS A 77 19.913 11.444 1.129 1.00 1.64 C ATOM 1157 CD LYS A 77 21.264 12.000 0.701 1.00 1.91 C ATOM 1158 CE LYS A 77 22.110 10.948 -0.004 1.00 2.08 C ATOM 1159 NZ LYS A 77 23.511 11.406 -0.214 1.00 2.45 N ATOM 0 H LYS A 77 16.950 12.466 0.686 1.00 1.50 H new ATOM 0 HA LYS A 77 17.974 10.925 2.999 1.00 1.56 H new ATOM 0 HB2 LYS A 77 19.021 13.354 1.517 1.00 1.64 H new ATOM 0 HB3 LYS A 77 19.780 12.620 2.916 1.00 1.64 H new ATOM 0 HG2 LYS A 77 20.058 10.495 1.645 1.00 1.64 H new ATOM 0 HG3 LYS A 77 19.309 11.237 0.246 1.00 1.64 H new ATOM 0 HD2 LYS A 77 21.113 12.851 0.036 1.00 1.91 H new ATOM 0 HD3 LYS A 77 21.799 12.370 1.576 1.00 1.91 H new ATOM 0 HE2 LYS A 77 22.113 10.031 0.585 1.00 2.08 H new ATOM 0 HE3 LYS A 77 21.660 10.707 -0.967 1.00 2.08 H new ATOM 0 HZ1 LYS A 77 24.051 10.660 -0.697 1.00 2.45 H new ATOM 0 HZ2 LYS A 77 23.511 12.267 -0.798 1.00 2.45 H new ATOM 0 HZ3 LYS A 77 23.950 11.612 0.706 1.00 2.45 H new ATOM 1173 N ASP A 78 15.991 13.355 3.047 1.00 1.54 N ATOM 1174 CA ASP A 78 15.207 14.301 3.833 1.00 1.63 C ATOM 1175 C ASP A 78 14.613 13.613 5.050 1.00 1.72 C ATOM 1176 O ASP A 78 14.240 12.439 4.992 1.00 1.77 O ATOM 1177 CB ASP A 78 14.057 14.881 2.996 1.00 1.67 C ATOM 1178 CG ASP A 78 14.419 16.129 2.208 1.00 1.81 C ATOM 1179 OD1 ASP A 78 15.612 16.485 2.120 1.00 1.95 O ATOM 1180 OD2 ASP A 78 13.495 16.759 1.650 1.00 2.35 O ATOM 0 H ASP A 78 15.577 13.125 2.143 1.00 1.54 H new ATOM 0 HA ASP A 78 15.875 15.104 4.146 1.00 1.63 H new ATOM 0 HB2 ASP A 78 13.708 14.117 2.302 1.00 1.67 H new ATOM 0 HB3 ASP A 78 13.224 15.114 3.659 1.00 1.67 H new ATOM 1185 N THR A 79 14.517 14.346 6.143 1.00 1.95 N ATOM 1186 CA THR A 79 13.957 13.812 7.371 1.00 2.15 C ATOM 1187 C THR A 79 12.677 14.552 7.751 1.00 2.00 C ATOM 1188 O THR A 79 12.724 15.692 8.220 1.00 2.13 O ATOM 1189 CB THR A 79 14.965 13.925 8.525 1.00 2.65 C ATOM 1190 OG1 THR A 79 16.228 13.392 8.106 1.00 2.87 O ATOM 1191 CG2 THR A 79 14.473 13.189 9.766 1.00 3.14 C ATOM 0 H THR A 79 14.821 15.318 6.206 1.00 1.95 H new ATOM 0 HA THR A 79 13.726 12.761 7.196 1.00 2.15 H new ATOM 0 HB THR A 79 15.076 14.978 8.785 1.00 2.65 H new ATOM 0 HG1 THR A 79 16.873 13.465 8.840 1.00 2.87 H new ATOM 0 HG21 THR A 79 15.209 13.288 10.564 1.00 3.14 H new ATOM 0 HG22 THR A 79 13.525 13.618 10.091 1.00 3.14 H new ATOM 0 HG23 THR A 79 14.333 12.134 9.531 1.00 3.14 H new ATOM 1199 N ASP A 80 11.538 13.910 7.538 1.00 2.01 N ATOM 1200 CA ASP A 80 10.255 14.504 7.877 1.00 2.07 C ATOM 1201 C ASP A 80 9.704 13.866 9.139 1.00 2.26 C ATOM 1202 O ASP A 80 10.095 12.725 9.446 1.00 2.49 O ATOM 1203 CB ASP A 80 9.251 14.346 6.727 1.00 2.36 C ATOM 1204 CG ASP A 80 8.669 12.945 6.637 1.00 2.79 C ATOM 1205 OD1 ASP A 80 9.376 12.029 6.158 1.00 2.99 O ATOM 1206 OD2 ASP A 80 7.499 12.755 7.037 1.00 3.21 O ATOM 1207 OXT ASP A 80 8.899 14.513 9.837 1.00 2.37 O ATOM 0 H ASP A 80 11.477 12.977 7.131 1.00 2.01 H new ATOM 0 HA ASP A 80 10.409 15.569 8.050 1.00 2.07 H new ATOM 0 HB2 ASP A 80 8.440 15.063 6.858 1.00 2.36 H new ATOM 0 HB3 ASP A 80 9.743 14.590 5.786 1.00 2.36 H new TER 1212 ASP A 80 ATOM 1213 N ARG B 287 3.632 15.875 -0.554 1.00 0.99 N ATOM 1214 CA ARG B 287 3.723 14.863 -1.625 1.00 0.79 C ATOM 1215 C ARG B 287 3.064 13.572 -1.161 1.00 0.66 C ATOM 1216 O ARG B 287 2.967 13.312 0.036 1.00 0.65 O ATOM 1217 CB ARG B 287 5.187 14.597 -1.984 1.00 0.87 C ATOM 1218 CG ARG B 287 5.363 13.943 -3.342 1.00 0.86 C ATOM 1219 CD ARG B 287 5.858 14.930 -4.381 1.00 1.18 C ATOM 1220 NE ARG B 287 5.287 14.646 -5.690 1.00 1.77 N ATOM 1221 CZ ARG B 287 5.856 13.871 -6.610 1.00 2.50 C ATOM 1222 NH1 ARG B 287 7.017 13.270 -6.361 1.00 2.87 N ATOM 1223 NH2 ARG B 287 5.245 13.680 -7.769 1.00 3.11 N ATOM 0 HA ARG B 287 3.209 15.237 -2.510 1.00 0.79 H new ATOM 0 HB2 ARG B 287 5.735 15.539 -1.969 1.00 0.87 H new ATOM 0 HB3 ARG B 287 5.631 13.958 -1.221 1.00 0.87 H new ATOM 0 HG2 ARG B 287 6.070 13.117 -3.259 1.00 0.86 H new ATOM 0 HG3 ARG B 287 4.413 13.518 -3.667 1.00 0.86 H new ATOM 0 HD2 ARG B 287 5.595 15.943 -4.078 1.00 1.18 H new ATOM 0 HD3 ARG B 287 6.946 14.887 -4.438 1.00 1.18 H new ATOM 0 HE ARG B 287 4.388 15.071 -5.918 1.00 1.77 H new ATOM 0 HH11 ARG B 287 7.477 13.402 -5.460 1.00 2.87 H new ATOM 0 HH12 ARG B 287 7.447 12.677 -7.071 1.00 2.87 H new ATOM 0 HH21 ARG B 287 4.346 14.125 -7.951 1.00 3.11 H new ATOM 0 HH22 ARG B 287 5.674 13.088 -8.480 1.00 3.11 H new ATOM 1239 N ALA B 288 2.628 12.751 -2.109 1.00 0.60 N ATOM 1240 CA ALA B 288 1.977 11.491 -1.786 1.00 0.51 C ATOM 1241 C ALA B 288 2.980 10.481 -1.256 1.00 0.50 C ATOM 1242 O ALA B 288 2.638 9.587 -0.500 1.00 0.48 O ATOM 1243 CB ALA B 288 1.262 10.934 -3.005 1.00 0.54 C ATOM 0 H ALA B 288 2.714 12.937 -3.108 1.00 0.60 H new ATOM 0 HA ALA B 288 1.241 11.682 -1.005 1.00 0.51 H new ATOM 0 HB1 ALA B 288 0.781 9.991 -2.745 1.00 0.54 H new ATOM 0 HB2 ALA B 288 0.508 11.646 -3.341 1.00 0.54 H new ATOM 0 HB3 ALA B 288 1.984 10.765 -3.804 1.00 0.54 H new ATOM 1249 N ALA B 289 4.234 10.661 -1.631 1.00 0.54 N ATOM 1250 CA ALA B 289 5.303 9.759 -1.220 1.00 0.57 C ATOM 1251 C ALA B 289 5.617 9.838 0.273 1.00 0.58 C ATOM 1252 O ALA B 289 6.631 9.321 0.720 1.00 0.65 O ATOM 1253 CB ALA B 289 6.545 9.941 -2.090 1.00 0.65 C ATOM 0 H ALA B 289 4.542 11.431 -2.225 1.00 0.54 H new ATOM 0 HA ALA B 289 4.936 8.745 -1.381 1.00 0.57 H new ATOM 0 HB1 ALA B 289 7.325 9.255 -1.759 1.00 0.65 H new ATOM 0 HB2 ALA B 289 6.295 9.732 -3.130 1.00 0.65 H new ATOM 0 HB3 ALA B 289 6.903 10.967 -2.003 1.00 0.65 H new ATOM 1259 N ASN B 290 4.895 10.706 0.964 1.00 0.56 N ATOM 1260 CA ASN B 290 4.995 10.863 2.417 1.00 0.58 C ATOM 1261 C ASN B 290 3.690 10.440 3.070 1.00 0.53 C ATOM 1262 O ASN B 290 3.633 9.894 4.170 1.00 0.53 O ATOM 1263 CB ASN B 290 5.360 12.295 2.779 1.00 0.66 C ATOM 1264 CG ASN B 290 6.423 12.867 1.862 1.00 0.74 C ATOM 1265 OD1 ASN B 290 6.125 13.278 0.739 1.00 0.76 O ATOM 1266 ND2 ASN B 290 7.661 12.906 2.326 1.00 0.87 N ATOM 0 H ASN B 290 4.214 11.331 0.532 1.00 0.56 H new ATOM 0 HA ASN B 290 5.791 10.220 2.792 1.00 0.58 H new ATOM 0 HB2 ASN B 290 4.467 12.919 2.730 1.00 0.66 H new ATOM 0 HB3 ASN B 290 5.716 12.328 3.809 1.00 0.66 H new ATOM 0 HD21 ASN B 290 8.410 13.287 1.748 1.00 0.87 H new ATOM 0 HD22 ASN B 290 7.866 12.556 3.262 1.00 0.87 H new ATOM 1273 N LEU B 291 2.623 10.765 2.354 1.00 0.51 N ATOM 1274 CA LEU B 291 1.258 10.495 2.774 1.00 0.48 C ATOM 1275 C LEU B 291 0.868 9.048 2.483 1.00 0.46 C ATOM 1276 O LEU B 291 -0.273 8.653 2.661 1.00 0.71 O ATOM 1277 CB LEU B 291 0.315 11.521 2.142 1.00 0.50 C ATOM 1278 CG LEU B 291 0.182 12.822 2.941 1.00 0.58 C ATOM 1279 CD1 LEU B 291 -0.168 13.986 2.021 1.00 1.37 C ATOM 1280 CD2 LEU B 291 -0.859 12.651 4.042 1.00 1.18 C ATOM 0 H LEU B 291 2.684 11.232 1.449 1.00 0.51 H new ATOM 0 HA LEU B 291 1.176 10.606 3.855 1.00 0.48 H new ATOM 0 HB2 LEU B 291 0.672 11.757 1.139 1.00 0.50 H new ATOM 0 HB3 LEU B 291 -0.672 11.072 2.032 1.00 0.50 H new ATOM 0 HG LEU B 291 1.140 13.051 3.408 1.00 0.58 H new ATOM 0 HD11 LEU B 291 -0.258 14.900 2.608 1.00 1.37 H new ATOM 0 HD12 LEU B 291 0.618 14.109 1.276 1.00 1.37 H new ATOM 0 HD13 LEU B 291 -1.114 13.782 1.520 1.00 1.37 H new ATOM 0 HD21 LEU B 291 -0.948 13.580 4.606 1.00 1.18 H new ATOM 0 HD22 LEU B 291 -1.822 12.403 3.596 1.00 1.18 H new ATOM 0 HD23 LEU B 291 -0.552 11.848 4.712 1.00 1.18 H new ATOM 1292 N TRP B 292 1.798 8.343 1.859 1.00 0.41 N ATOM 1293 CA TRP B 292 1.687 6.914 1.576 1.00 0.39 C ATOM 1294 C TRP B 292 2.502 6.171 2.638 1.00 0.41 C ATOM 1295 O TRP B 292 2.015 5.218 3.247 1.00 0.41 O ATOM 1296 CB TRP B 292 2.173 6.595 0.156 1.00 0.42 C ATOM 1297 CG TRP B 292 1.100 6.580 -0.900 1.00 0.37 C ATOM 1298 CD1 TRP B 292 0.078 7.481 -1.077 1.00 0.36 C ATOM 1299 CD2 TRP B 292 0.972 5.624 -1.965 1.00 0.37 C ATOM 1300 NE1 TRP B 292 -0.662 7.138 -2.175 1.00 0.34 N ATOM 1301 CE2 TRP B 292 -0.137 6.012 -2.733 1.00 0.35 C ATOM 1302 CE3 TRP B 292 1.685 4.479 -2.346 1.00 0.40 C ATOM 1303 CZ2 TRP B 292 -0.551 5.312 -3.853 1.00 0.38 C ATOM 1304 CZ3 TRP B 292 1.267 3.781 -3.466 1.00 0.42 C ATOM 1305 CH2 TRP B 292 0.160 4.204 -4.206 1.00 0.42 C ATOM 0 H TRP B 292 2.671 8.753 1.527 1.00 0.41 H new ATOM 0 HA TRP B 292 0.646 6.593 1.619 1.00 0.39 H new ATOM 0 HB2 TRP B 292 2.928 7.329 -0.126 1.00 0.42 H new ATOM 0 HB3 TRP B 292 2.663 5.622 0.167 1.00 0.42 H new ATOM 0 HD1 TRP B 292 -0.113 8.334 -0.443 1.00 0.36 H new ATOM 0 HE1 TRP B 292 -1.477 7.645 -2.521 1.00 0.34 H new ATOM 0 HE3 TRP B 292 2.542 4.148 -1.778 1.00 0.40 H new ATOM 0 HZ2 TRP B 292 -1.408 5.633 -4.427 1.00 0.38 H new ATOM 0 HZ3 TRP B 292 1.805 2.896 -3.772 1.00 0.42 H new ATOM 0 HH2 TRP B 292 -0.139 3.640 -5.077 1.00 0.42 H new ATOM 1316 N PRO B 293 3.809 6.557 2.825 1.00 0.44 N ATOM 1317 CA PRO B 293 4.667 5.994 3.879 1.00 0.48 C ATOM 1318 C PRO B 293 3.976 6.017 5.233 1.00 0.46 C ATOM 1319 O PRO B 293 4.106 5.082 6.010 1.00 0.47 O ATOM 1320 CB PRO B 293 5.860 6.947 3.866 1.00 0.53 C ATOM 1321 CG PRO B 293 6.008 7.250 2.439 1.00 0.54 C ATOM 1322 CD PRO B 293 4.598 7.464 1.965 1.00 0.49 C ATOM 0 HA PRO B 293 4.929 4.950 3.710 1.00 0.48 H new ATOM 0 HB2 PRO B 293 5.669 7.845 4.454 1.00 0.53 H new ATOM 0 HB3 PRO B 293 6.756 6.482 4.277 1.00 0.53 H new ATOM 0 HG2 PRO B 293 6.621 8.137 2.281 1.00 0.54 H new ATOM 0 HG3 PRO B 293 6.489 6.431 1.905 1.00 0.54 H new ATOM 0 HD2 PRO B 293 4.287 8.502 2.083 1.00 0.49 H new ATOM 0 HD3 PRO B 293 4.486 7.216 0.909 1.00 0.49 H new ATOM 1330 N SER B 294 3.242 7.096 5.509 1.00 0.47 N ATOM 1331 CA SER B 294 2.502 7.202 6.759 1.00 0.47 C ATOM 1332 C SER B 294 1.481 6.051 6.825 1.00 0.42 C ATOM 1333 O SER B 294 1.577 5.209 7.718 1.00 0.40 O ATOM 1334 CB SER B 294 1.862 8.600 6.910 1.00 0.53 C ATOM 1335 OG SER B 294 0.762 8.576 7.806 1.00 0.95 O ATOM 0 H SER B 294 3.147 7.900 4.888 1.00 0.47 H new ATOM 0 HA SER B 294 3.176 7.102 7.609 1.00 0.47 H new ATOM 0 HB2 SER B 294 2.610 9.306 7.270 1.00 0.53 H new ATOM 0 HB3 SER B 294 1.530 8.956 5.935 1.00 0.53 H new ATOM 0 HG SER B 294 0.381 9.476 7.880 1.00 0.95 H new ATOM 1341 N PRO B 295 0.475 5.993 5.913 1.00 0.44 N ATOM 1342 CA PRO B 295 -0.471 4.865 5.845 1.00 0.43 C ATOM 1343 C PRO B 295 0.228 3.497 5.888 1.00 0.40 C ATOM 1344 O PRO B 295 -0.279 2.553 6.497 1.00 0.43 O ATOM 1345 CB PRO B 295 -1.127 5.111 4.480 1.00 0.50 C ATOM 1346 CG PRO B 295 -1.245 6.574 4.442 1.00 0.54 C ATOM 1347 CD PRO B 295 0.078 7.054 4.966 1.00 0.53 C ATOM 0 HA PRO B 295 -1.162 4.828 6.687 1.00 0.43 H new ATOM 0 HB2 PRO B 295 -0.515 4.732 3.662 1.00 0.50 H new ATOM 0 HB3 PRO B 295 -2.099 4.624 4.403 1.00 0.50 H new ATOM 0 HG2 PRO B 295 -1.429 6.934 3.430 1.00 0.54 H new ATOM 0 HG3 PRO B 295 -2.071 6.925 5.060 1.00 0.54 H new ATOM 0 HD2 PRO B 295 0.808 7.172 4.166 1.00 0.53 H new ATOM 0 HD3 PRO B 295 -0.012 8.021 5.461 1.00 0.53 H new ATOM 1355 N LEU B 296 1.401 3.399 5.265 1.00 0.38 N ATOM 1356 CA LEU B 296 2.153 2.147 5.251 1.00 0.37 C ATOM 1357 C LEU B 296 2.725 1.851 6.634 1.00 0.39 C ATOM 1358 O LEU B 296 2.773 0.695 7.062 1.00 0.43 O ATOM 1359 CB LEU B 296 3.279 2.191 4.215 1.00 0.38 C ATOM 1360 CG LEU B 296 3.802 0.816 3.800 1.00 0.43 C ATOM 1361 CD1 LEU B 296 2.770 0.113 2.931 1.00 0.46 C ATOM 1362 CD2 LEU B 296 5.138 0.932 3.075 1.00 0.56 C ATOM 0 H LEU B 296 1.849 4.168 4.766 1.00 0.38 H new ATOM 0 HA LEU B 296 1.465 1.348 4.975 1.00 0.37 H new ATOM 0 HB2 LEU B 296 2.921 2.714 3.328 1.00 0.38 H new ATOM 0 HB3 LEU B 296 4.106 2.775 4.618 1.00 0.38 H new ATOM 0 HG LEU B 296 3.969 0.221 4.698 1.00 0.43 H new ATOM 0 HD11 LEU B 296 3.148 -0.867 2.638 1.00 0.46 H new ATOM 0 HD12 LEU B 296 1.844 -0.008 3.492 1.00 0.46 H new ATOM 0 HD13 LEU B 296 2.578 0.710 2.039 1.00 0.46 H new ATOM 0 HD21 LEU B 296 5.486 -0.061 2.792 1.00 0.56 H new ATOM 0 HD22 LEU B 296 5.015 1.542 2.180 1.00 0.56 H new ATOM 0 HD23 LEU B 296 5.870 1.398 3.734 1.00 0.56 H new ATOM 1374 N MET B 297 3.158 2.898 7.318 1.00 0.39 N ATOM 1375 CA MET B 297 3.703 2.786 8.665 1.00 0.42 C ATOM 1376 C MET B 297 2.592 2.316 9.600 1.00 0.41 C ATOM 1377 O MET B 297 2.817 1.530 10.524 1.00 0.45 O ATOM 1378 CB MET B 297 4.263 4.143 9.100 1.00 0.45 C ATOM 1379 CG MET B 297 4.995 4.119 10.431 1.00 0.81 C ATOM 1380 SD MET B 297 5.921 5.640 10.718 1.00 1.30 S ATOM 1381 CE MET B 297 7.108 5.095 11.941 1.00 1.79 C ATOM 0 H MET B 297 3.142 3.851 6.956 1.00 0.39 H new ATOM 0 HA MET B 297 4.517 2.062 8.695 1.00 0.42 H new ATOM 0 HB2 MET B 297 4.944 4.505 8.330 1.00 0.45 H new ATOM 0 HB3 MET B 297 3.443 4.858 9.162 1.00 0.45 H new ATOM 0 HG2 MET B 297 4.276 3.974 11.238 1.00 0.81 H new ATOM 0 HG3 MET B 297 5.677 3.269 10.455 1.00 0.81 H new ATOM 0 HE1 MET B 297 7.753 5.929 12.219 1.00 1.79 H new ATOM 0 HE2 MET B 297 6.581 4.734 12.824 1.00 1.79 H new ATOM 0 HE3 MET B 297 7.714 4.290 11.526 1.00 1.79 H new ATOM 1391 N ILE B 298 1.386 2.802 9.321 1.00 0.41 N ATOM 1392 CA ILE B 298 0.192 2.415 10.054 1.00 0.43 C ATOM 1393 C ILE B 298 -0.084 0.939 9.782 1.00 0.44 C ATOM 1394 O ILE B 298 -0.501 0.190 10.667 1.00 0.47 O ATOM 1395 CB ILE B 298 -1.026 3.274 9.630 1.00 0.45 C ATOM 1396 CG1 ILE B 298 -0.791 4.745 10.001 1.00 0.47 C ATOM 1397 CG2 ILE B 298 -2.314 2.759 10.267 1.00 0.50 C ATOM 1398 CD1 ILE B 298 -0.771 5.013 11.493 1.00 0.46 C ATOM 0 H ILE B 298 1.212 3.478 8.577 1.00 0.41 H new ATOM 0 HA ILE B 298 0.354 2.578 11.119 1.00 0.43 H new ATOM 0 HB ILE B 298 -1.137 3.197 8.548 1.00 0.45 H new ATOM 0 HG12 ILE B 298 0.157 5.069 9.572 1.00 0.47 H new ATOM 0 HG13 ILE B 298 -1.572 5.353 9.544 1.00 0.47 H new ATOM 0 HG21 ILE B 298 -3.151 3.382 9.951 1.00 0.50 H new ATOM 0 HG22 ILE B 298 -2.489 1.730 9.953 1.00 0.50 H new ATOM 0 HG23 ILE B 298 -2.223 2.797 11.353 1.00 0.50 H new ATOM 0 HD11 ILE B 298 -0.600 6.075 11.670 1.00 0.46 H new ATOM 0 HD12 ILE B 298 -1.727 4.722 11.928 1.00 0.46 H new ATOM 0 HD13 ILE B 298 0.029 4.435 11.956 1.00 0.46 H new ATOM 1410 N LYS B 299 0.167 0.526 8.540 1.00 0.42 N ATOM 1411 CA LYS B 299 0.004 -0.868 8.153 1.00 0.45 C ATOM 1412 C LYS B 299 1.010 -1.703 8.914 1.00 0.45 C ATOM 1413 O LYS B 299 0.705 -2.796 9.370 1.00 0.51 O ATOM 1414 CB LYS B 299 0.219 -1.066 6.647 1.00 0.45 C ATOM 1415 CG LYS B 299 -0.131 -2.473 6.175 1.00 0.44 C ATOM 1416 CD LYS B 299 1.035 -3.193 5.487 1.00 0.45 C ATOM 1417 CE LYS B 299 2.184 -3.482 6.434 1.00 0.45 C ATOM 1418 NZ LYS B 299 3.510 -3.220 5.803 1.00 0.49 N ATOM 0 H LYS B 299 0.483 1.139 7.788 1.00 0.42 H new ATOM 0 HA LYS B 299 -1.015 -1.175 8.389 1.00 0.45 H new ATOM 0 HB2 LYS B 299 -0.388 -0.344 6.101 1.00 0.45 H new ATOM 0 HB3 LYS B 299 1.260 -0.856 6.404 1.00 0.45 H new ATOM 0 HG2 LYS B 299 -0.459 -3.064 7.030 1.00 0.44 H new ATOM 0 HG3 LYS B 299 -0.972 -2.418 5.484 1.00 0.44 H new ATOM 0 HD2 LYS B 299 0.677 -4.130 5.060 1.00 0.45 H new ATOM 0 HD3 LYS B 299 1.396 -2.583 4.659 1.00 0.45 H new ATOM 0 HE2 LYS B 299 2.080 -2.867 7.328 1.00 0.45 H new ATOM 0 HE3 LYS B 299 2.135 -4.522 6.756 1.00 0.45 H new ATOM 0 HZ1 LYS B 299 4.267 -3.447 6.479 1.00 0.49 H new ATOM 0 HZ2 LYS B 299 3.614 -3.813 4.955 1.00 0.49 H new ATOM 0 HZ3 LYS B 299 3.575 -2.217 5.534 1.00 0.49 H new ATOM 1432 N ARG B 300 2.224 -1.180 9.034 1.00 0.43 N ATOM 1433 CA ARG B 300 3.274 -1.863 9.760 1.00 0.47 C ATOM 1434 C ARG B 300 2.851 -2.021 11.213 1.00 0.50 C ATOM 1435 O ARG B 300 3.086 -3.055 11.834 1.00 0.54 O ATOM 1436 CB ARG B 300 4.597 -1.097 9.661 1.00 0.48 C ATOM 1437 CG ARG B 300 5.198 -1.103 8.263 1.00 1.11 C ATOM 1438 CD ARG B 300 6.695 -0.836 8.292 1.00 1.25 C ATOM 1439 NE ARG B 300 7.465 -2.078 8.245 1.00 1.44 N ATOM 1440 CZ ARG B 300 8.619 -2.276 8.883 1.00 1.91 C ATOM 1441 NH1 ARG B 300 9.127 -1.332 9.662 1.00 2.30 N ATOM 1442 NH2 ARG B 300 9.265 -3.428 8.754 1.00 2.44 N ATOM 0 H ARG B 300 2.501 -0.283 8.635 1.00 0.43 H new ATOM 0 HA ARG B 300 3.432 -2.847 9.319 1.00 0.47 H new ATOM 0 HB2 ARG B 300 4.435 -0.066 9.974 1.00 0.48 H new ATOM 0 HB3 ARG B 300 5.313 -1.533 10.358 1.00 0.48 H new ATOM 0 HG2 ARG B 300 5.010 -2.067 7.790 1.00 1.11 H new ATOM 0 HG3 ARG B 300 4.705 -0.347 7.652 1.00 1.11 H new ATOM 0 HD2 ARG B 300 6.969 -0.205 7.446 1.00 1.25 H new ATOM 0 HD3 ARG B 300 6.949 -0.284 9.197 1.00 1.25 H new ATOM 0 HE ARG B 300 7.094 -2.846 7.686 1.00 1.44 H new ATOM 0 HH11 ARG B 300 8.635 -0.446 9.777 1.00 2.30 H new ATOM 0 HH12 ARG B 300 10.010 -1.491 10.147 1.00 2.30 H new ATOM 0 HH21 ARG B 300 8.879 -4.166 8.165 1.00 2.44 H new ATOM 0 HH22 ARG B 300 10.148 -3.575 9.244 1.00 2.44 H new ATOM 1456 N SER B 301 2.200 -0.988 11.736 1.00 0.50 N ATOM 1457 CA SER B 301 1.701 -0.997 13.104 1.00 0.55 C ATOM 1458 C SER B 301 0.631 -2.075 13.272 1.00 0.59 C ATOM 1459 O SER B 301 0.651 -2.836 14.234 1.00 0.66 O ATOM 1460 CB SER B 301 1.128 0.374 13.464 1.00 0.56 C ATOM 1461 OG SER B 301 2.128 1.377 13.395 1.00 0.59 O ATOM 0 H SER B 301 2.005 -0.126 11.226 1.00 0.50 H new ATOM 0 HA SER B 301 2.530 -1.220 13.776 1.00 0.55 H new ATOM 0 HB2 SER B 301 0.313 0.621 12.784 1.00 0.56 H new ATOM 0 HB3 SER B 301 0.707 0.344 14.469 1.00 0.56 H new ATOM 0 HG SER B 301 2.415 1.489 12.465 1.00 0.59 H new ATOM 1467 N LYS B 302 -0.291 -2.146 12.315 1.00 0.58 N ATOM 1468 CA LYS B 302 -1.353 -3.143 12.347 1.00 0.65 C ATOM 1469 C LYS B 302 -0.764 -4.537 12.125 1.00 0.68 C ATOM 1470 O LYS B 302 -1.287 -5.533 12.619 1.00 0.76 O ATOM 1471 CB LYS B 302 -2.410 -2.829 11.284 1.00 0.66 C ATOM 1472 CG LYS B 302 -3.443 -3.932 11.111 1.00 1.21 C ATOM 1473 CD LYS B 302 -4.401 -4.006 12.293 1.00 1.38 C ATOM 1474 CE LYS B 302 -5.006 -5.396 12.428 1.00 2.10 C ATOM 1475 NZ LYS B 302 -4.002 -6.407 12.860 1.00 2.44 N ATOM 0 H LYS B 302 -0.322 -1.523 11.508 1.00 0.58 H new ATOM 0 HA LYS B 302 -1.834 -3.118 13.325 1.00 0.65 H new ATOM 0 HB2 LYS B 302 -2.920 -1.904 11.552 1.00 0.66 H new ATOM 0 HB3 LYS B 302 -1.913 -2.654 10.330 1.00 0.66 H new ATOM 0 HG2 LYS B 302 -4.009 -3.759 10.196 1.00 1.21 H new ATOM 0 HG3 LYS B 302 -2.935 -4.890 10.995 1.00 1.21 H new ATOM 0 HD2 LYS B 302 -3.871 -3.747 13.210 1.00 1.38 H new ATOM 0 HD3 LYS B 302 -5.196 -3.272 12.166 1.00 1.38 H new ATOM 0 HE2 LYS B 302 -5.823 -5.366 13.149 1.00 2.10 H new ATOM 0 HE3 LYS B 302 -5.435 -5.698 11.473 1.00 2.10 H new ATOM 0 HZ1 LYS B 302 -4.248 -7.334 12.459 1.00 2.44 H new ATOM 0 HZ2 LYS B 302 -3.059 -6.124 12.526 1.00 2.44 H new ATOM 0 HZ3 LYS B 302 -3.997 -6.470 13.898 1.00 2.44 H new ATOM 1489 N LYS B 303 0.320 -4.597 11.365 1.00 0.62 N ATOM 1490 CA LYS B 303 1.011 -5.852 11.119 1.00 0.65 C ATOM 1491 C LYS B 303 1.653 -6.321 12.417 1.00 0.72 C ATOM 1492 O LYS B 303 1.803 -7.512 12.673 1.00 0.82 O ATOM 1493 CB LYS B 303 2.075 -5.667 10.040 1.00 0.58 C ATOM 1494 CG LYS B 303 2.696 -6.970 9.594 1.00 0.55 C ATOM 1495 CD LYS B 303 4.204 -6.876 9.541 1.00 0.66 C ATOM 1496 CE LYS B 303 4.786 -8.093 8.865 1.00 0.77 C ATOM 1497 NZ LYS B 303 4.382 -8.149 7.445 1.00 0.70 N ATOM 0 H LYS B 303 0.740 -3.788 10.907 1.00 0.62 H new ATOM 0 HA LYS B 303 0.299 -6.600 10.770 1.00 0.65 H new ATOM 0 HB2 LYS B 303 1.629 -5.170 9.179 1.00 0.58 H new ATOM 0 HB3 LYS B 303 2.857 -5.009 10.418 1.00 0.58 H new ATOM 0 HG2 LYS B 303 2.404 -7.766 10.278 1.00 0.55 H new ATOM 0 HG3 LYS B 303 2.312 -7.239 8.610 1.00 0.55 H new ATOM 0 HD2 LYS B 303 4.499 -5.977 9.001 1.00 0.66 H new ATOM 0 HD3 LYS B 303 4.604 -6.787 10.551 1.00 0.66 H new ATOM 0 HE2 LYS B 303 5.873 -8.070 8.938 1.00 0.77 H new ATOM 0 HE3 LYS B 303 4.452 -8.994 9.379 1.00 0.77 H new ATOM 0 HZ1 LYS B 303 5.073 -8.712 6.909 1.00 0.70 H new ATOM 0 HZ2 LYS B 303 3.443 -8.590 7.368 1.00 0.70 H new ATOM 0 HZ3 LYS B 303 4.345 -7.185 7.056 1.00 0.70 H new ATOM 1511 N ASN B 304 2.036 -5.348 13.226 1.00 0.69 N ATOM 1512 CA ASN B 304 2.626 -5.595 14.530 1.00 0.78 C ATOM 1513 C ASN B 304 1.516 -5.971 15.514 1.00 0.88 C ATOM 1514 O ASN B 304 1.691 -6.837 16.371 1.00 1.04 O ATOM 1515 CB ASN B 304 3.378 -4.335 14.995 1.00 0.78 C ATOM 1516 CG ASN B 304 3.864 -4.400 16.431 1.00 0.92 C ATOM 1517 OD1 ASN B 304 3.786 -3.411 17.158 1.00 1.13 O ATOM 1518 ND2 ASN B 304 4.400 -5.536 16.841 1.00 1.16 N ATOM 0 H ASN B 304 1.946 -4.359 12.995 1.00 0.69 H new ATOM 0 HA ASN B 304 3.339 -6.418 14.478 1.00 0.78 H new ATOM 0 HB2 ASN B 304 4.234 -4.173 14.340 1.00 0.78 H new ATOM 0 HB3 ASN B 304 2.723 -3.471 14.883 1.00 0.78 H new ATOM 0 HD21 ASN B 304 4.767 -5.614 17.790 1.00 1.16 H new ATOM 0 HD22 ASN B 304 4.447 -6.335 16.209 1.00 1.16 H new ATOM 1525 N SER B 305 0.387 -5.281 15.397 1.00 0.82 N ATOM 1526 CA SER B 305 -0.777 -5.531 16.240 1.00 0.93 C ATOM 1527 C SER B 305 -1.789 -6.427 15.526 1.00 1.13 C ATOM 1528 O SER B 305 -1.508 -7.626 15.328 1.00 1.39 O ATOM 1529 CB SER B 305 -1.427 -4.211 16.647 1.00 0.87 C ATOM 1530 OG SER B 305 -0.443 -3.231 16.953 1.00 1.00 O ATOM 1531 OXT SER B 305 -2.869 -5.916 15.153 1.00 1.26 O ATOM 0 H SER B 305 0.253 -4.533 14.716 1.00 0.82 H new ATOM 0 HA SER B 305 -0.443 -6.050 17.138 1.00 0.93 H new ATOM 0 HB2 SER B 305 -2.065 -3.851 15.839 1.00 0.87 H new ATOM 0 HB3 SER B 305 -2.069 -4.370 17.513 1.00 0.87 H new ATOM 0 HG SER B 305 -0.011 -2.932 16.126 1.00 1.00 H new TER 1537 SER B 305 HETATM 1538 CA CA A 181 -8.954 -2.863 -3.646 1.00 0.45 CA HETATM 1539 CA CA A 182 -0.394 3.774 -11.550 1.00 0.54 CA