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: B 304 ASN : amide:sc= 0 X(o=1.2,f=1.1) USER MOD Set 1.2: B 305 SER OG : rot 93:sc= 1.23 USER MOD Set 2.1: A 36 MET CE :methyl 169:sc= -0.176 (180deg=-0.645) USER MOD Set 2.2: A 51 MET CE :methyl -166:sc= -2.6! (180deg=-3.38!) USER MOD Set 3.1: A 21 LYS NZ :NH3+ -169:sc= 0.821 (180deg=0.271) USER MOD Set 3.2: A 34 THR OG1 : rot -89:sc= 0.836 USER MOD Set 4.1: A 1 ALA N :NH3+ 176:sc= 0.963 (180deg=0) USER MOD Set 4.2: A 3 GLN : amide:sc= 0.765 K(o=1.7,f=-6!) USER MOD Single : A 5 THR OG1 : rot -68:sc= 1.29 USER MOD Single : A 8 GLN : amide:sc= 1.2 K(o=1.2,f=-0.069) USER MOD Single : A 13 LYS NZ :NH3+ 174:sc= 1.24 (180deg=0.928) USER MOD Single : A 17 SER OG : rot 142:sc= 0.801 USER MOD Single : A 26 THR OG1 : rot 99:sc= 1.5 USER MOD Single : A 28 THR OG1 : rot 69:sc= 0.697 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.146 USER MOD Single : A 30 LYS NZ :NH3+ -161:sc= 1.17 (180deg=1.12) USER MOD Single : A 38 SER OG : rot 88:sc= 1.23 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 ASN : amide:sc= -0.676 K(o=-0.68,f=-2.3!) USER MOD Single : A 44 THR OG1 : rot -75:sc= 0.608 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 ASN : amide:sc= -0.0168 K(o=-0.017,f=-0.98) USER MOD Single : A 60 ASN : amide:sc= -0.775 K(o=-0.78,f=-6!) USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.112 USER MOD Single : A 70 THR OG1 : rot 76:sc= 0.136 USER MOD Single : A 71 MET CE :methyl -137:sc= -1.48 (180deg=-4.63!) USER MOD Single : A 72 MET CE :methyl -117:sc= -1.8 (180deg=-2.09!) USER MOD Single : A 75 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0101) USER MOD Single : A 76 MET CE :methyl 173:sc= 0 (180deg=-0.0916) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0.0118 USER MOD Single : B 290 ASN : amide:sc= -1.52! C(o=-1.5!,f=-1.9!) USER MOD Single : B 294 SER OG : rot 180:sc= 0 USER MOD Single : B 297 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 299 LYS NZ :NH3+ 174:sc= 1.42 (180deg=1.26) USER MOD Single : B 301 SER OG : rot 69:sc= 0.28 USER MOD Single : B 302 LYS NZ :NH3+ -145:sc= 1.26 (180deg=-0.582) USER MOD Single : B 303 LYS NZ :NH3+ 154:sc= 2.36 (180deg=-0.601) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 24.791 -14.712 -3.675 1.00 2.58 N ATOM 2 CA ALA A 1 24.687 -13.242 -3.512 1.00 2.36 C ATOM 3 C ALA A 1 23.249 -12.839 -3.205 1.00 2.09 C ATOM 4 O ALA A 1 22.548 -13.548 -2.474 1.00 2.15 O ATOM 5 CB ALA A 1 25.193 -12.528 -4.762 1.00 2.57 C ATOM 0 H1 ALA A 1 25.762 -14.963 -3.950 1.00 2.58 H new ATOM 0 H2 ALA A 1 24.554 -15.179 -2.776 1.00 2.58 H new ATOM 0 H3 ALA A 1 24.130 -15.027 -4.413 1.00 2.58 H new ATOM 0 HA ALA A 1 25.313 -12.943 -2.671 1.00 2.36 H new ATOM 0 HB1 ALA A 1 25.109 -11.450 -4.624 1.00 2.57 H new ATOM 0 HB2 ALA A 1 26.236 -12.792 -4.934 1.00 2.57 H new ATOM 0 HB3 ALA A 1 24.595 -12.832 -5.621 1.00 2.57 H new ATOM 13 N ASP A 2 22.799 -11.728 -3.785 1.00 1.93 N ATOM 14 CA ASP A 2 21.446 -11.228 -3.544 1.00 1.85 C ATOM 15 C ASP A 2 20.404 -12.014 -4.346 1.00 1.77 C ATOM 16 O ASP A 2 19.659 -11.447 -5.150 1.00 2.06 O ATOM 17 CB ASP A 2 21.361 -9.747 -3.908 1.00 2.06 C ATOM 18 CG ASP A 2 20.099 -9.093 -3.383 1.00 2.70 C ATOM 19 OD1 ASP A 2 19.533 -9.590 -2.388 1.00 2.98 O ATOM 20 OD2 ASP A 2 19.665 -8.073 -3.969 1.00 3.47 O ATOM 0 H ASP A 2 23.351 -11.157 -4.425 1.00 1.93 H new ATOM 0 HA ASP A 2 21.229 -11.359 -2.484 1.00 1.85 H new ATOM 0 HB2 ASP A 2 22.230 -9.227 -3.506 1.00 2.06 H new ATOM 0 HB3 ASP A 2 21.398 -9.640 -4.992 1.00 2.06 H new ATOM 25 N GLN A 3 20.364 -13.317 -4.131 1.00 1.60 N ATOM 26 CA GLN A 3 19.399 -14.173 -4.803 1.00 1.62 C ATOM 27 C GLN A 3 18.299 -14.550 -3.825 1.00 1.52 C ATOM 28 O GLN A 3 17.115 -14.560 -4.160 1.00 1.55 O ATOM 29 CB GLN A 3 20.071 -15.434 -5.352 1.00 1.75 C ATOM 30 CG GLN A 3 20.699 -15.256 -6.729 1.00 2.06 C ATOM 31 CD GLN A 3 22.086 -14.644 -6.670 1.00 2.43 C ATOM 32 OE1 GLN A 3 22.783 -14.759 -5.661 1.00 2.68 O ATOM 33 NE2 GLN A 3 22.508 -14.006 -7.752 1.00 2.95 N ATOM 0 H GLN A 3 20.991 -13.808 -3.494 1.00 1.60 H new ATOM 0 HA GLN A 3 18.972 -13.628 -5.645 1.00 1.62 H new ATOM 0 HB2 GLN A 3 20.842 -15.756 -4.652 1.00 1.75 H new ATOM 0 HB3 GLN A 3 19.332 -16.234 -5.402 1.00 1.75 H new ATOM 0 HG2 GLN A 3 20.756 -16.225 -7.225 1.00 2.06 H new ATOM 0 HG3 GLN A 3 20.054 -14.623 -7.338 1.00 2.06 H new ATOM 0 HE21 GLN A 3 21.902 -13.931 -8.569 1.00 2.95 H new ATOM 0 HE22 GLN A 3 23.439 -13.590 -7.768 1.00 2.95 H new ATOM 42 N LEU A 4 18.718 -14.848 -2.602 1.00 1.47 N ATOM 43 CA LEU A 4 17.805 -15.223 -1.541 1.00 1.42 C ATOM 44 C LEU A 4 17.569 -14.022 -0.625 1.00 1.35 C ATOM 45 O LEU A 4 17.890 -14.052 0.564 1.00 1.37 O ATOM 46 CB LEU A 4 18.381 -16.414 -0.769 1.00 1.54 C ATOM 47 CG LEU A 4 18.788 -17.620 -1.627 1.00 1.78 C ATOM 48 CD1 LEU A 4 19.564 -18.620 -0.786 1.00 1.97 C ATOM 49 CD2 LEU A 4 17.567 -18.288 -2.253 1.00 1.88 C ATOM 0 H LEU A 4 19.699 -14.835 -2.322 1.00 1.47 H new ATOM 0 HA LEU A 4 16.845 -15.524 -1.959 1.00 1.42 H new ATOM 0 HB2 LEU A 4 19.254 -16.076 -0.211 1.00 1.54 H new ATOM 0 HB3 LEU A 4 17.643 -16.743 -0.038 1.00 1.54 H new ATOM 0 HG LEU A 4 19.426 -17.263 -2.435 1.00 1.78 H new ATOM 0 HD11 LEU A 4 19.848 -19.472 -1.404 1.00 1.97 H new ATOM 0 HD12 LEU A 4 20.461 -18.144 -0.390 1.00 1.97 H new ATOM 0 HD13 LEU A 4 18.940 -18.963 0.040 1.00 1.97 H new ATOM 0 HD21 LEU A 4 17.886 -19.139 -2.855 1.00 1.88 H new ATOM 0 HD22 LEU A 4 16.897 -18.632 -1.465 1.00 1.88 H new ATOM 0 HD23 LEU A 4 17.045 -17.571 -2.886 1.00 1.88 H new ATOM 61 N THR A 5 17.025 -12.960 -1.215 1.00 1.33 N ATOM 62 CA THR A 5 16.733 -11.718 -0.505 1.00 1.31 C ATOM 63 C THR A 5 15.556 -11.886 0.472 1.00 1.19 C ATOM 64 O THR A 5 15.758 -12.295 1.617 1.00 1.18 O ATOM 65 CB THR A 5 16.420 -10.603 -1.528 1.00 1.42 C ATOM 66 OG1 THR A 5 17.221 -10.799 -2.699 1.00 1.68 O ATOM 67 CG2 THR A 5 16.691 -9.220 -0.961 1.00 1.63 C ATOM 0 H THR A 5 16.773 -12.937 -2.203 1.00 1.33 H new ATOM 0 HA THR A 5 17.610 -11.446 0.082 1.00 1.31 H new ATOM 0 HB THR A 5 15.360 -10.662 -1.773 1.00 1.42 H new ATOM 0 HG1 THR A 5 18.163 -10.640 -2.481 1.00 1.68 H new ATOM 0 HG21 THR A 5 16.458 -8.466 -1.713 1.00 1.63 H new ATOM 0 HG22 THR A 5 16.068 -9.059 -0.081 1.00 1.63 H new ATOM 0 HG23 THR A 5 17.742 -9.141 -0.682 1.00 1.63 H new ATOM 75 N GLU A 6 14.339 -11.569 0.009 1.00 1.16 N ATOM 76 CA GLU A 6 13.110 -11.681 0.806 1.00 1.10 C ATOM 77 C GLU A 6 13.278 -11.186 2.246 1.00 1.10 C ATOM 78 O GLU A 6 13.008 -11.920 3.196 1.00 1.15 O ATOM 79 CB GLU A 6 12.620 -13.130 0.800 1.00 1.08 C ATOM 80 CG GLU A 6 11.825 -13.498 -0.439 1.00 1.08 C ATOM 81 CD GLU A 6 10.540 -12.704 -0.558 1.00 1.03 C ATOM 82 OE1 GLU A 6 9.680 -12.811 0.343 1.00 1.31 O ATOM 83 OE2 GLU A 6 10.382 -11.966 -1.554 1.00 1.44 O ATOM 0 H GLU A 6 14.179 -11.225 -0.938 1.00 1.16 H new ATOM 0 HA GLU A 6 12.369 -11.032 0.340 1.00 1.10 H new ATOM 0 HB2 GLU A 6 13.479 -13.796 0.881 1.00 1.08 H new ATOM 0 HB3 GLU A 6 12.002 -13.299 1.682 1.00 1.08 H new ATOM 0 HG2 GLU A 6 12.438 -13.327 -1.324 1.00 1.08 H new ATOM 0 HG3 GLU A 6 11.590 -14.562 -0.414 1.00 1.08 H new ATOM 90 N GLU A 7 13.708 -9.947 2.406 1.00 1.09 N ATOM 91 CA GLU A 7 13.895 -9.377 3.737 1.00 1.13 C ATOM 92 C GLU A 7 12.933 -8.220 3.981 1.00 1.08 C ATOM 93 O GLU A 7 12.261 -8.165 5.010 1.00 1.13 O ATOM 94 CB GLU A 7 15.346 -8.913 3.937 1.00 1.25 C ATOM 95 CG GLU A 7 16.135 -8.739 2.646 1.00 1.28 C ATOM 96 CD GLU A 7 15.620 -7.605 1.784 1.00 1.24 C ATOM 97 OE1 GLU A 7 14.606 -7.805 1.074 1.00 1.16 O ATOM 98 OE2 GLU A 7 16.218 -6.514 1.810 1.00 1.35 O ATOM 0 H GLU A 7 13.934 -9.315 1.638 1.00 1.09 H new ATOM 0 HA GLU A 7 13.679 -10.161 4.463 1.00 1.13 H new ATOM 0 HB2 GLU A 7 15.341 -7.965 4.476 1.00 1.25 H new ATOM 0 HB3 GLU A 7 15.862 -9.636 4.569 1.00 1.25 H new ATOM 0 HG2 GLU A 7 17.182 -8.557 2.889 1.00 1.28 H new ATOM 0 HG3 GLU A 7 16.097 -9.667 2.076 1.00 1.28 H new ATOM 105 N GLN A 8 12.874 -7.300 3.037 1.00 1.08 N ATOM 106 CA GLN A 8 11.987 -6.167 3.150 1.00 1.06 C ATOM 107 C GLN A 8 10.784 -6.364 2.236 1.00 0.96 C ATOM 108 O GLN A 8 9.691 -5.858 2.504 1.00 0.95 O ATOM 109 CB GLN A 8 12.742 -4.880 2.809 1.00 1.17 C ATOM 110 CG GLN A 8 13.850 -4.551 3.806 1.00 1.31 C ATOM 111 CD GLN A 8 14.812 -3.501 3.284 1.00 1.48 C ATOM 112 OE1 GLN A 8 14.611 -2.298 3.483 1.00 1.56 O ATOM 113 NE2 GLN A 8 15.865 -3.946 2.626 1.00 1.61 N ATOM 0 H GLN A 8 13.432 -7.319 2.184 1.00 1.08 H new ATOM 0 HA GLN A 8 11.625 -6.083 4.175 1.00 1.06 H new ATOM 0 HB2 GLN A 8 13.174 -4.973 1.813 1.00 1.17 H new ATOM 0 HB3 GLN A 8 12.036 -4.051 2.774 1.00 1.17 H new ATOM 0 HG2 GLN A 8 13.404 -4.199 4.736 1.00 1.31 H new ATOM 0 HG3 GLN A 8 14.403 -5.460 4.042 1.00 1.31 H new ATOM 0 HE21 GLN A 8 15.992 -4.948 2.484 1.00 1.61 H new ATOM 0 HE22 GLN A 8 16.552 -3.288 2.259 1.00 1.61 H new ATOM 122 N ILE A 9 10.992 -7.147 1.171 1.00 0.93 N ATOM 123 CA ILE A 9 9.935 -7.447 0.197 1.00 0.90 C ATOM 124 C ILE A 9 8.737 -8.084 0.893 1.00 0.82 C ATOM 125 O ILE A 9 7.596 -7.958 0.452 1.00 0.80 O ATOM 126 CB ILE A 9 10.428 -8.407 -0.920 1.00 0.96 C ATOM 127 CG1 ILE A 9 11.884 -8.107 -1.293 1.00 1.15 C ATOM 128 CG2 ILE A 9 9.526 -8.292 -2.147 1.00 1.14 C ATOM 129 CD1 ILE A 9 12.477 -9.082 -2.289 1.00 1.23 C ATOM 0 H ILE A 9 11.888 -7.587 0.961 1.00 0.93 H new ATOM 0 HA ILE A 9 9.648 -6.500 -0.259 1.00 0.90 H new ATOM 0 HB ILE A 9 10.380 -9.429 -0.544 1.00 0.96 H new ATOM 0 HG12 ILE A 9 11.943 -7.100 -1.706 1.00 1.15 H new ATOM 0 HG13 ILE A 9 12.490 -8.115 -0.387 1.00 1.15 H new ATOM 0 HG21 ILE A 9 9.881 -8.969 -2.924 1.00 1.14 H new ATOM 0 HG22 ILE A 9 8.504 -8.556 -1.874 1.00 1.14 H new ATOM 0 HG23 ILE A 9 9.548 -7.268 -2.520 1.00 1.14 H new ATOM 0 HD11 ILE A 9 13.509 -8.802 -2.502 1.00 1.23 H new ATOM 0 HD12 ILE A 9 12.453 -10.089 -1.872 1.00 1.23 H new ATOM 0 HD13 ILE A 9 11.897 -9.058 -3.212 1.00 1.23 H new ATOM 141 N ALA A 10 9.012 -8.760 1.998 1.00 0.85 N ATOM 142 CA ALA A 10 7.976 -9.408 2.782 1.00 0.85 C ATOM 143 C ALA A 10 6.997 -8.381 3.348 1.00 0.75 C ATOM 144 O ALA A 10 5.786 -8.569 3.297 1.00 0.79 O ATOM 145 CB ALA A 10 8.609 -10.200 3.913 1.00 0.98 C ATOM 0 H ALA A 10 9.954 -8.874 2.373 1.00 0.85 H new ATOM 0 HA ALA A 10 7.422 -10.084 2.131 1.00 0.85 H new ATOM 0 HB1 ALA A 10 7.828 -10.685 4.499 1.00 0.98 H new ATOM 0 HB2 ALA A 10 9.275 -10.957 3.499 1.00 0.98 H new ATOM 0 HB3 ALA A 10 9.179 -9.527 4.554 1.00 0.98 H new ATOM 151 N GLU A 11 7.534 -7.264 3.835 1.00 0.69 N ATOM 152 CA GLU A 11 6.720 -6.208 4.439 1.00 0.64 C ATOM 153 C GLU A 11 6.025 -5.366 3.372 1.00 0.63 C ATOM 154 O GLU A 11 5.069 -4.642 3.658 1.00 0.64 O ATOM 155 CB GLU A 11 7.590 -5.325 5.346 1.00 0.69 C ATOM 156 CG GLU A 11 7.405 -5.617 6.826 1.00 0.59 C ATOM 157 CD GLU A 11 5.969 -5.430 7.266 1.00 0.65 C ATOM 158 OE1 GLU A 11 5.556 -4.263 7.451 1.00 1.18 O ATOM 159 OE2 GLU A 11 5.244 -6.442 7.406 1.00 0.81 O ATOM 0 H GLU A 11 8.534 -7.065 3.823 1.00 0.69 H new ATOM 0 HA GLU A 11 5.945 -6.678 5.044 1.00 0.64 H new ATOM 0 HB2 GLU A 11 8.638 -5.468 5.083 1.00 0.69 H new ATOM 0 HB3 GLU A 11 7.353 -4.278 5.157 1.00 0.69 H new ATOM 0 HG2 GLU A 11 7.718 -6.640 7.036 1.00 0.59 H new ATOM 0 HG3 GLU A 11 8.051 -4.960 7.409 1.00 0.59 H new ATOM 166 N PHE A 12 6.514 -5.461 2.141 1.00 0.64 N ATOM 167 CA PHE A 12 5.930 -4.737 1.019 1.00 0.67 C ATOM 168 C PHE A 12 4.724 -5.494 0.465 1.00 0.66 C ATOM 169 O PHE A 12 3.719 -4.890 0.094 1.00 0.68 O ATOM 170 CB PHE A 12 6.980 -4.519 -0.072 1.00 0.75 C ATOM 171 CG PHE A 12 8.017 -3.478 0.271 1.00 0.76 C ATOM 172 CD1 PHE A 12 7.673 -2.328 0.973 1.00 0.98 C ATOM 173 CD2 PHE A 12 9.340 -3.653 -0.108 1.00 1.23 C ATOM 174 CE1 PHE A 12 8.632 -1.379 1.293 1.00 1.03 C ATOM 175 CE2 PHE A 12 10.299 -2.708 0.207 1.00 1.27 C ATOM 176 CZ PHE A 12 9.944 -1.571 0.907 1.00 0.88 C ATOM 0 H PHE A 12 7.319 -6.037 1.894 1.00 0.64 H new ATOM 0 HA PHE A 12 5.589 -3.763 1.370 1.00 0.67 H new ATOM 0 HB2 PHE A 12 7.483 -5.465 -0.272 1.00 0.75 H new ATOM 0 HB3 PHE A 12 6.476 -4.225 -0.993 1.00 0.75 H new ATOM 0 HD1 PHE A 12 6.647 -2.172 1.272 1.00 0.98 H new ATOM 0 HD2 PHE A 12 9.625 -4.539 -0.656 1.00 1.23 H new ATOM 0 HE1 PHE A 12 8.354 -0.492 1.843 1.00 1.03 H new ATOM 0 HE2 PHE A 12 11.325 -2.859 -0.094 1.00 1.27 H new ATOM 0 HZ PHE A 12 10.693 -0.832 1.152 1.00 0.88 H new ATOM 186 N LYS A 13 4.823 -6.821 0.424 1.00 0.65 N ATOM 187 CA LYS A 13 3.728 -7.660 -0.066 1.00 0.66 C ATOM 188 C LYS A 13 2.557 -7.632 0.916 1.00 0.61 C ATOM 189 O LYS A 13 1.444 -8.038 0.595 1.00 0.66 O ATOM 190 CB LYS A 13 4.200 -9.101 -0.266 1.00 0.71 C ATOM 191 CG LYS A 13 5.204 -9.255 -1.401 1.00 0.80 C ATOM 192 CD LYS A 13 5.617 -10.707 -1.604 1.00 0.86 C ATOM 193 CE LYS A 13 6.477 -11.212 -0.454 1.00 0.97 C ATOM 194 NZ LYS A 13 7.412 -12.280 -0.897 1.00 0.99 N ATOM 0 H LYS A 13 5.649 -7.339 0.724 1.00 0.65 H new ATOM 0 HA LYS A 13 3.399 -7.262 -1.026 1.00 0.66 H new ATOM 0 HB2 LYS A 13 4.651 -9.460 0.659 1.00 0.71 H new ATOM 0 HB3 LYS A 13 3.336 -9.734 -0.466 1.00 0.71 H new ATOM 0 HG2 LYS A 13 4.770 -8.869 -2.324 1.00 0.80 H new ATOM 0 HG3 LYS A 13 6.087 -8.653 -1.188 1.00 0.80 H new ATOM 0 HD2 LYS A 13 4.727 -11.330 -1.694 1.00 0.86 H new ATOM 0 HD3 LYS A 13 6.168 -10.802 -2.540 1.00 0.86 H new ATOM 0 HE2 LYS A 13 7.045 -10.383 -0.032 1.00 0.97 H new ATOM 0 HE3 LYS A 13 5.836 -11.595 0.340 1.00 0.97 H new ATOM 0 HZ1 LYS A 13 8.051 -12.529 -0.115 1.00 0.99 H new ATOM 0 HZ2 LYS A 13 6.869 -13.120 -1.182 1.00 0.99 H new ATOM 0 HZ3 LYS A 13 7.971 -11.939 -1.705 1.00 0.99 H new ATOM 208 N GLU A 14 2.834 -7.126 2.118 1.00 0.57 N ATOM 209 CA GLU A 14 1.837 -7.031 3.167 1.00 0.54 C ATOM 210 C GLU A 14 0.838 -5.920 2.862 1.00 0.50 C ATOM 211 O GLU A 14 -0.246 -5.862 3.447 1.00 0.49 O ATOM 212 CB GLU A 14 2.518 -6.778 4.512 1.00 0.52 C ATOM 213 CG GLU A 14 1.716 -7.284 5.695 1.00 0.54 C ATOM 214 CD GLU A 14 1.495 -8.782 5.652 1.00 0.62 C ATOM 215 OE1 GLU A 14 2.353 -9.520 6.173 1.00 1.28 O ATOM 216 OE2 GLU A 14 0.464 -9.226 5.106 1.00 1.29 O ATOM 0 H GLU A 14 3.754 -6.774 2.384 1.00 0.57 H new ATOM 0 HA GLU A 14 1.293 -7.974 3.216 1.00 0.54 H new ATOM 0 HB2 GLU A 14 3.496 -7.259 4.512 1.00 0.52 H new ATOM 0 HB3 GLU A 14 2.689 -5.708 4.629 1.00 0.52 H new ATOM 0 HG2 GLU A 14 2.234 -7.023 6.618 1.00 0.54 H new ATOM 0 HG3 GLU A 14 0.750 -6.779 5.717 1.00 0.54 H new ATOM 223 N ALA A 15 1.205 -5.030 1.952 1.00 0.51 N ATOM 224 CA ALA A 15 0.326 -3.933 1.579 1.00 0.52 C ATOM 225 C ALA A 15 -0.873 -4.456 0.798 1.00 0.50 C ATOM 226 O ALA A 15 -1.977 -3.939 0.905 1.00 0.51 O ATOM 227 CB ALA A 15 1.089 -2.894 0.770 1.00 0.58 C ATOM 0 H ALA A 15 2.099 -5.045 1.461 1.00 0.51 H new ATOM 0 HA ALA A 15 -0.041 -3.455 2.487 1.00 0.52 H new ATOM 0 HB1 ALA A 15 0.418 -2.079 0.498 1.00 0.58 H new ATOM 0 HB2 ALA A 15 1.913 -2.502 1.366 1.00 0.58 H new ATOM 0 HB3 ALA A 15 1.484 -3.356 -0.135 1.00 0.58 H new ATOM 233 N PHE A 16 -0.648 -5.511 0.035 1.00 0.50 N ATOM 234 CA PHE A 16 -1.700 -6.110 -0.771 1.00 0.53 C ATOM 235 C PHE A 16 -2.603 -7.013 0.068 1.00 0.56 C ATOM 236 O PHE A 16 -3.497 -7.676 -0.465 1.00 0.74 O ATOM 237 CB PHE A 16 -1.076 -6.917 -1.905 1.00 0.60 C ATOM 238 CG PHE A 16 0.098 -6.233 -2.541 1.00 0.64 C ATOM 239 CD1 PHE A 16 -0.053 -5.017 -3.186 1.00 0.78 C ATOM 240 CD2 PHE A 16 1.352 -6.810 -2.490 1.00 0.87 C ATOM 241 CE1 PHE A 16 1.034 -4.390 -3.772 1.00 0.90 C ATOM 242 CE2 PHE A 16 2.439 -6.190 -3.070 1.00 0.98 C ATOM 243 CZ PHE A 16 2.282 -4.980 -3.714 1.00 0.91 C ATOM 0 H PHE A 16 0.258 -5.973 -0.044 1.00 0.50 H new ATOM 0 HA PHE A 16 -2.314 -5.307 -1.179 1.00 0.53 H new ATOM 0 HB2 PHE A 16 -0.759 -7.886 -1.521 1.00 0.60 H new ATOM 0 HB3 PHE A 16 -1.833 -7.108 -2.666 1.00 0.60 H new ATOM 0 HD1 PHE A 16 -1.027 -4.553 -3.233 1.00 0.78 H new ATOM 0 HD2 PHE A 16 1.483 -7.758 -1.990 1.00 0.87 H new ATOM 0 HE1 PHE A 16 0.906 -3.442 -4.273 1.00 0.90 H new ATOM 0 HE2 PHE A 16 3.414 -6.652 -3.020 1.00 0.98 H new ATOM 0 HZ PHE A 16 3.132 -4.496 -4.171 1.00 0.91 H new ATOM 253 N SER A 17 -2.381 -7.035 1.380 1.00 0.49 N ATOM 254 CA SER A 17 -3.174 -7.866 2.256 1.00 0.54 C ATOM 255 C SER A 17 -3.808 -7.034 3.377 1.00 0.51 C ATOM 256 O SER A 17 -5.003 -7.155 3.645 1.00 0.59 O ATOM 257 CB SER A 17 -2.311 -8.994 2.831 1.00 0.62 C ATOM 258 OG SER A 17 -0.940 -8.625 2.852 1.00 0.73 O ATOM 0 H SER A 17 -1.660 -6.487 1.850 1.00 0.49 H new ATOM 0 HA SER A 17 -3.984 -8.309 1.676 1.00 0.54 H new ATOM 0 HB2 SER A 17 -2.643 -9.232 3.842 1.00 0.62 H new ATOM 0 HB3 SER A 17 -2.439 -9.896 2.233 1.00 0.62 H new ATOM 0 HG SER A 17 -0.520 -8.973 3.666 1.00 0.73 H new ATOM 264 N LEU A 18 -3.013 -6.185 4.029 1.00 0.44 N ATOM 265 CA LEU A 18 -3.524 -5.356 5.124 1.00 0.42 C ATOM 266 C LEU A 18 -3.979 -3.985 4.634 1.00 0.41 C ATOM 267 O LEU A 18 -4.975 -3.444 5.115 1.00 0.46 O ATOM 268 CB LEU A 18 -2.460 -5.149 6.205 1.00 0.42 C ATOM 269 CG LEU A 18 -1.793 -6.405 6.754 1.00 0.45 C ATOM 270 CD1 LEU A 18 -0.615 -6.022 7.646 1.00 0.47 C ATOM 271 CD2 LEU A 18 -2.789 -7.248 7.538 1.00 0.55 C ATOM 0 H LEU A 18 -2.023 -6.053 3.822 1.00 0.44 H new ATOM 0 HA LEU A 18 -4.378 -5.892 5.539 1.00 0.42 H new ATOM 0 HB2 LEU A 18 -1.684 -4.500 5.799 1.00 0.42 H new ATOM 0 HB3 LEU A 18 -2.919 -4.615 7.037 1.00 0.42 H new ATOM 0 HG LEU A 18 -1.429 -6.997 5.914 1.00 0.45 H new ATOM 0 HD11 LEU A 18 -0.144 -6.925 8.034 1.00 0.47 H new ATOM 0 HD12 LEU A 18 0.112 -5.455 7.065 1.00 0.47 H new ATOM 0 HD13 LEU A 18 -0.971 -5.413 8.477 1.00 0.47 H new ATOM 0 HD21 LEU A 18 -2.290 -8.139 7.920 1.00 0.55 H new ATOM 0 HD22 LEU A 18 -3.181 -6.666 8.372 1.00 0.55 H new ATOM 0 HD23 LEU A 18 -3.609 -7.544 6.884 1.00 0.55 H new ATOM 283 N PHE A 19 -3.237 -3.413 3.701 1.00 0.43 N ATOM 284 CA PHE A 19 -3.555 -2.091 3.178 1.00 0.47 C ATOM 285 C PHE A 19 -4.763 -2.151 2.240 1.00 0.48 C ATOM 286 O PHE A 19 -5.646 -1.290 2.289 1.00 0.61 O ATOM 287 CB PHE A 19 -2.331 -1.500 2.468 1.00 0.52 C ATOM 288 CG PHE A 19 -2.581 -0.168 1.823 1.00 0.39 C ATOM 289 CD1 PHE A 19 -2.612 0.988 2.585 1.00 0.58 C ATOM 290 CD2 PHE A 19 -2.788 -0.073 0.456 1.00 0.50 C ATOM 291 CE1 PHE A 19 -2.846 2.214 1.994 1.00 0.75 C ATOM 292 CE2 PHE A 19 -3.024 1.147 -0.137 1.00 0.70 C ATOM 293 CZ PHE A 19 -3.053 2.293 0.631 1.00 0.79 C ATOM 0 H PHE A 19 -2.409 -3.842 3.288 1.00 0.43 H new ATOM 0 HA PHE A 19 -3.819 -1.439 4.011 1.00 0.47 H new ATOM 0 HB2 PHE A 19 -1.521 -1.396 3.190 1.00 0.52 H new ATOM 0 HB3 PHE A 19 -1.992 -2.202 1.707 1.00 0.52 H new ATOM 0 HD1 PHE A 19 -2.452 0.930 3.651 1.00 0.58 H new ATOM 0 HD2 PHE A 19 -2.764 -0.966 -0.151 1.00 0.50 H new ATOM 0 HE1 PHE A 19 -2.867 3.110 2.597 1.00 0.75 H new ATOM 0 HE2 PHE A 19 -3.186 1.207 -1.203 1.00 0.70 H new ATOM 0 HZ PHE A 19 -3.237 3.251 0.167 1.00 0.79 H new ATOM 303 N ASP A 20 -4.799 -3.167 1.397 1.00 0.44 N ATOM 304 CA ASP A 20 -5.893 -3.332 0.447 1.00 0.45 C ATOM 305 C ASP A 20 -7.047 -4.111 1.082 1.00 0.51 C ATOM 306 O ASP A 20 -6.828 -5.112 1.761 1.00 0.58 O ATOM 307 CB ASP A 20 -5.391 -4.040 -0.809 1.00 0.45 C ATOM 308 CG ASP A 20 -6.357 -3.915 -1.966 1.00 0.46 C ATOM 309 OD1 ASP A 20 -6.460 -2.824 -2.563 1.00 0.58 O ATOM 310 OD2 ASP A 20 -7.028 -4.898 -2.289 1.00 0.59 O ATOM 0 H ASP A 20 -4.084 -3.893 1.348 1.00 0.44 H new ATOM 0 HA ASP A 20 -6.265 -2.346 0.168 1.00 0.45 H new ATOM 0 HB2 ASP A 20 -4.427 -3.622 -1.098 1.00 0.45 H new ATOM 0 HB3 ASP A 20 -5.228 -5.095 -0.588 1.00 0.45 H new ATOM 315 N LYS A 21 -8.273 -3.653 0.853 1.00 0.58 N ATOM 316 CA LYS A 21 -9.454 -4.292 1.437 1.00 0.71 C ATOM 317 C LYS A 21 -10.250 -5.082 0.404 1.00 0.68 C ATOM 318 O LYS A 21 -11.150 -5.849 0.757 1.00 0.86 O ATOM 319 CB LYS A 21 -10.355 -3.226 2.072 1.00 0.82 C ATOM 320 CG LYS A 21 -9.697 -2.473 3.212 1.00 1.05 C ATOM 321 CD LYS A 21 -9.283 -1.072 2.797 1.00 1.10 C ATOM 322 CE LYS A 21 -8.476 -0.400 3.894 1.00 1.41 C ATOM 323 NZ LYS A 21 -7.410 0.484 3.353 1.00 1.57 N ATOM 0 H LYS A 21 -8.478 -2.843 0.268 1.00 0.58 H new ATOM 0 HA LYS A 21 -9.107 -4.994 2.195 1.00 0.71 H new ATOM 0 HB2 LYS A 21 -10.657 -2.514 1.304 1.00 0.82 H new ATOM 0 HB3 LYS A 21 -11.264 -3.703 2.440 1.00 0.82 H new ATOM 0 HG2 LYS A 21 -10.386 -2.414 4.054 1.00 1.05 H new ATOM 0 HG3 LYS A 21 -8.821 -3.024 3.555 1.00 1.05 H new ATOM 0 HD2 LYS A 21 -8.693 -1.119 1.882 1.00 1.10 H new ATOM 0 HD3 LYS A 21 -10.169 -0.477 2.575 1.00 1.10 H new ATOM 0 HE2 LYS A 21 -9.144 0.186 4.526 1.00 1.41 H new ATOM 0 HE3 LYS A 21 -8.024 -1.163 4.528 1.00 1.41 H new ATOM 0 HZ1 LYS A 21 -6.773 0.771 4.123 1.00 1.57 H new ATOM 0 HZ2 LYS A 21 -6.868 -0.029 2.629 1.00 1.57 H new ATOM 0 HZ3 LYS A 21 -7.842 1.329 2.928 1.00 1.57 H new ATOM 337 N ASP A 22 -9.927 -4.894 -0.865 1.00 0.58 N ATOM 338 CA ASP A 22 -10.635 -5.583 -1.939 1.00 0.61 C ATOM 339 C ASP A 22 -9.954 -6.901 -2.271 1.00 0.69 C ATOM 340 O ASP A 22 -10.612 -7.919 -2.503 1.00 0.82 O ATOM 341 CB ASP A 22 -10.688 -4.718 -3.206 1.00 0.55 C ATOM 342 CG ASP A 22 -10.391 -3.257 -2.943 1.00 0.52 C ATOM 343 OD1 ASP A 22 -11.331 -2.501 -2.625 1.00 0.60 O ATOM 344 OD2 ASP A 22 -9.205 -2.853 -3.051 1.00 0.55 O ATOM 0 H ASP A 22 -9.182 -4.273 -1.179 1.00 0.58 H new ATOM 0 HA ASP A 22 -11.650 -5.774 -1.591 1.00 0.61 H new ATOM 0 HB2 ASP A 22 -9.971 -5.103 -3.931 1.00 0.55 H new ATOM 0 HB3 ASP A 22 -11.676 -4.806 -3.657 1.00 0.55 H new ATOM 349 N GLY A 23 -8.633 -6.879 -2.287 1.00 0.65 N ATOM 350 CA GLY A 23 -7.880 -8.067 -2.605 1.00 0.73 C ATOM 351 C GLY A 23 -7.306 -7.985 -4.003 1.00 0.71 C ATOM 352 O GLY A 23 -6.894 -8.990 -4.576 1.00 0.87 O ATOM 0 H GLY A 23 -8.068 -6.055 -2.084 1.00 0.65 H new ATOM 0 HA2 GLY A 23 -7.073 -8.195 -1.883 1.00 0.73 H new ATOM 0 HA3 GLY A 23 -8.523 -8.943 -2.523 1.00 0.73 H new ATOM 356 N ASP A 24 -7.277 -6.773 -4.544 1.00 0.59 N ATOM 357 CA ASP A 24 -6.771 -6.540 -5.892 1.00 0.60 C ATOM 358 C ASP A 24 -5.317 -6.085 -5.859 1.00 0.59 C ATOM 359 O ASP A 24 -4.599 -6.191 -6.853 1.00 0.74 O ATOM 360 CB ASP A 24 -7.645 -5.509 -6.619 1.00 0.58 C ATOM 361 CG ASP A 24 -7.408 -4.083 -6.161 1.00 0.48 C ATOM 362 OD1 ASP A 24 -7.618 -3.786 -4.967 1.00 0.61 O ATOM 363 OD2 ASP A 24 -7.021 -3.249 -6.991 1.00 0.74 O ATOM 0 H ASP A 24 -7.600 -5.931 -4.067 1.00 0.59 H new ATOM 0 HA ASP A 24 -6.815 -7.481 -6.440 1.00 0.60 H new ATOM 0 HB2 ASP A 24 -7.455 -5.574 -7.690 1.00 0.58 H new ATOM 0 HB3 ASP A 24 -8.694 -5.762 -6.466 1.00 0.58 H new ATOM 368 N GLY A 25 -4.896 -5.558 -4.714 1.00 0.54 N ATOM 369 CA GLY A 25 -3.521 -5.113 -4.553 1.00 0.64 C ATOM 370 C GLY A 25 -3.243 -3.730 -5.114 1.00 0.69 C ATOM 371 O GLY A 25 -2.591 -2.924 -4.457 1.00 1.30 O ATOM 0 H GLY A 25 -5.484 -5.430 -3.891 1.00 0.54 H new ATOM 0 HA2 GLY A 25 -3.271 -5.119 -3.492 1.00 0.64 H new ATOM 0 HA3 GLY A 25 -2.860 -5.830 -5.040 1.00 0.64 H new ATOM 375 N THR A 26 -3.717 -3.463 -6.331 1.00 0.46 N ATOM 376 CA THR A 26 -3.499 -2.170 -6.987 1.00 0.48 C ATOM 377 C THR A 26 -3.922 -1.004 -6.090 1.00 0.46 C ATOM 378 O THR A 26 -5.036 -0.996 -5.552 1.00 0.63 O ATOM 379 CB THR A 26 -4.273 -2.103 -8.317 1.00 0.53 C ATOM 380 OG1 THR A 26 -4.992 -3.326 -8.518 1.00 0.66 O ATOM 381 CG2 THR A 26 -3.338 -1.869 -9.492 1.00 0.66 C ATOM 0 H THR A 26 -4.257 -4.127 -6.886 1.00 0.46 H new ATOM 0 HA THR A 26 -2.430 -2.082 -7.183 1.00 0.48 H new ATOM 0 HB THR A 26 -4.968 -1.265 -8.261 1.00 0.53 H new ATOM 0 HG1 THR A 26 -5.928 -3.202 -8.255 1.00 0.66 H new ATOM 0 HG21 THR A 26 -3.917 -1.827 -10.415 1.00 0.66 H new ATOM 0 HG22 THR A 26 -2.808 -0.927 -9.353 1.00 0.66 H new ATOM 0 HG23 THR A 26 -2.618 -2.685 -9.552 1.00 0.66 H new ATOM 389 N ILE A 27 -3.033 -0.022 -5.937 1.00 0.37 N ATOM 390 CA ILE A 27 -3.309 1.140 -5.096 1.00 0.36 C ATOM 391 C ILE A 27 -4.107 2.206 -5.844 1.00 0.32 C ATOM 392 O ILE A 27 -3.635 2.793 -6.827 1.00 0.37 O ATOM 393 CB ILE A 27 -2.014 1.773 -4.544 1.00 0.40 C ATOM 394 CG1 ILE A 27 -1.231 0.744 -3.718 1.00 0.46 C ATOM 395 CG2 ILE A 27 -2.332 3.008 -3.696 1.00 0.42 C ATOM 396 CD1 ILE A 27 0.033 1.305 -3.104 1.00 0.50 C ATOM 0 H ILE A 27 -2.117 -0.009 -6.385 1.00 0.37 H new ATOM 0 HA ILE A 27 -3.905 0.771 -4.261 1.00 0.36 H new ATOM 0 HB ILE A 27 -1.399 2.088 -5.387 1.00 0.40 H new ATOM 0 HG12 ILE A 27 -1.873 0.361 -2.925 1.00 0.46 H new ATOM 0 HG13 ILE A 27 -0.973 -0.102 -4.355 1.00 0.46 H new ATOM 0 HG21 ILE A 27 -1.405 3.438 -3.317 1.00 0.42 H new ATOM 0 HG22 ILE A 27 -2.851 3.746 -4.308 1.00 0.42 H new ATOM 0 HG23 ILE A 27 -2.967 2.720 -2.858 1.00 0.42 H new ATOM 0 HD11 ILE A 27 0.538 0.525 -2.534 1.00 0.50 H new ATOM 0 HD12 ILE A 27 0.694 1.662 -3.894 1.00 0.50 H new ATOM 0 HD13 ILE A 27 -0.221 2.132 -2.441 1.00 0.50 H new ATOM 408 N THR A 28 -5.321 2.439 -5.358 1.00 0.28 N ATOM 409 CA THR A 28 -6.222 3.425 -5.927 1.00 0.28 C ATOM 410 C THR A 28 -6.696 4.388 -4.835 1.00 0.27 C ATOM 411 O THR A 28 -6.431 4.174 -3.646 1.00 0.29 O ATOM 412 CB THR A 28 -7.452 2.751 -6.568 1.00 0.32 C ATOM 413 OG1 THR A 28 -7.315 1.324 -6.520 1.00 0.73 O ATOM 414 CG2 THR A 28 -7.635 3.204 -8.007 1.00 0.77 C ATOM 0 H THR A 28 -5.707 1.944 -4.554 1.00 0.28 H new ATOM 0 HA THR A 28 -5.678 3.970 -6.698 1.00 0.28 H new ATOM 0 HB THR A 28 -8.334 3.047 -6.000 1.00 0.32 H new ATOM 0 HG1 THR A 28 -7.389 1.019 -5.591 1.00 0.73 H new ATOM 0 HG21 THR A 28 -8.509 2.713 -8.435 1.00 0.77 H new ATOM 0 HG22 THR A 28 -7.776 4.284 -8.033 1.00 0.77 H new ATOM 0 HG23 THR A 28 -6.751 2.940 -8.587 1.00 0.77 H new ATOM 422 N THR A 29 -7.392 5.441 -5.241 1.00 0.29 N ATOM 423 CA THR A 29 -7.919 6.436 -4.312 1.00 0.33 C ATOM 424 C THR A 29 -8.832 5.827 -3.250 1.00 0.31 C ATOM 425 O THR A 29 -8.945 6.345 -2.138 1.00 0.32 O ATOM 426 CB THR A 29 -8.712 7.508 -5.070 1.00 0.40 C ATOM 427 OG1 THR A 29 -8.538 7.321 -6.485 1.00 0.48 O ATOM 428 CG2 THR A 29 -8.240 8.889 -4.660 1.00 0.59 C ATOM 0 H THR A 29 -7.608 5.631 -6.220 1.00 0.29 H new ATOM 0 HA THR A 29 -7.054 6.874 -3.813 1.00 0.33 H new ATOM 0 HB THR A 29 -9.770 7.417 -4.825 1.00 0.40 H new ATOM 0 HG1 THR A 29 -9.046 8.005 -6.970 1.00 0.48 H new ATOM 0 HG21 THR A 29 -8.808 9.644 -5.203 1.00 0.59 H new ATOM 0 HG22 THR A 29 -8.391 9.022 -3.589 1.00 0.59 H new ATOM 0 HG23 THR A 29 -7.181 8.995 -4.893 1.00 0.59 H new ATOM 436 N LYS A 30 -9.470 4.718 -3.590 1.00 0.31 N ATOM 437 CA LYS A 30 -10.383 4.059 -2.675 1.00 0.33 C ATOM 438 C LYS A 30 -9.658 3.452 -1.474 1.00 0.33 C ATOM 439 O LYS A 30 -10.150 3.515 -0.347 1.00 0.38 O ATOM 440 CB LYS A 30 -11.169 2.972 -3.407 1.00 0.36 C ATOM 441 CG LYS A 30 -12.243 2.336 -2.538 1.00 0.38 C ATOM 442 CD LYS A 30 -12.514 0.894 -2.936 1.00 0.43 C ATOM 443 CE LYS A 30 -13.337 0.185 -1.873 1.00 0.51 C ATOM 444 NZ LYS A 30 -13.587 -1.238 -2.214 1.00 0.56 N ATOM 0 H LYS A 30 -9.371 4.257 -4.494 1.00 0.31 H new ATOM 0 HA LYS A 30 -11.068 4.819 -2.299 1.00 0.33 H new ATOM 0 HB2 LYS A 30 -11.633 3.401 -4.295 1.00 0.36 H new ATOM 0 HB3 LYS A 30 -10.480 2.200 -3.749 1.00 0.36 H new ATOM 0 HG2 LYS A 30 -11.933 2.372 -1.494 1.00 0.38 H new ATOM 0 HG3 LYS A 30 -13.164 2.914 -2.618 1.00 0.38 H new ATOM 0 HD2 LYS A 30 -13.043 0.868 -3.889 1.00 0.43 H new ATOM 0 HD3 LYS A 30 -11.570 0.369 -3.081 1.00 0.43 H new ATOM 0 HE2 LYS A 30 -12.818 0.242 -0.916 1.00 0.51 H new ATOM 0 HE3 LYS A 30 -14.290 0.700 -1.750 1.00 0.51 H new ATOM 0 HZ1 LYS A 30 -14.392 -1.592 -1.659 1.00 0.56 H new ATOM 0 HZ2 LYS A 30 -13.804 -1.319 -3.228 1.00 0.56 H new ATOM 0 HZ3 LYS A 30 -12.741 -1.801 -1.995 1.00 0.56 H new ATOM 458 N GLU A 31 -8.484 2.873 -1.697 1.00 0.31 N ATOM 459 CA GLU A 31 -7.741 2.246 -0.608 1.00 0.35 C ATOM 460 C GLU A 31 -6.900 3.272 0.139 1.00 0.34 C ATOM 461 O GLU A 31 -6.508 3.053 1.286 1.00 0.39 O ATOM 462 CB GLU A 31 -6.864 1.101 -1.130 1.00 0.37 C ATOM 463 CG GLU A 31 -7.644 0.016 -1.859 1.00 0.41 C ATOM 464 CD GLU A 31 -7.663 0.205 -3.361 1.00 0.35 C ATOM 465 OE1 GLU A 31 -7.625 1.356 -3.825 1.00 0.86 O ATOM 466 OE2 GLU A 31 -7.727 -0.819 -4.086 1.00 0.87 O ATOM 0 H GLU A 31 -8.030 2.824 -2.609 1.00 0.31 H new ATOM 0 HA GLU A 31 -8.464 1.827 0.092 1.00 0.35 H new ATOM 0 HB2 GLU A 31 -6.111 1.510 -1.804 1.00 0.37 H new ATOM 0 HB3 GLU A 31 -6.331 0.652 -0.292 1.00 0.37 H new ATOM 0 HG2 GLU A 31 -7.207 -0.955 -1.627 1.00 0.41 H new ATOM 0 HG3 GLU A 31 -8.669 0.002 -1.488 1.00 0.41 H new ATOM 473 N LEU A 32 -6.656 4.401 -0.508 1.00 0.31 N ATOM 474 CA LEU A 32 -5.861 5.473 0.086 1.00 0.33 C ATOM 475 C LEU A 32 -6.710 6.278 1.070 1.00 0.35 C ATOM 476 O LEU A 32 -6.258 6.623 2.167 1.00 0.47 O ATOM 477 CB LEU A 32 -5.307 6.394 -1.009 1.00 0.34 C ATOM 478 CG LEU A 32 -4.230 7.387 -0.559 1.00 0.37 C ATOM 479 CD1 LEU A 32 -2.935 6.661 -0.227 1.00 0.36 C ATOM 480 CD2 LEU A 32 -3.998 8.430 -1.638 1.00 0.43 C ATOM 0 H LEU A 32 -6.997 4.602 -1.448 1.00 0.31 H new ATOM 0 HA LEU A 32 -5.025 5.028 0.626 1.00 0.33 H new ATOM 0 HB2 LEU A 32 -4.894 5.774 -1.805 1.00 0.34 H new ATOM 0 HB3 LEU A 32 -6.136 6.956 -1.440 1.00 0.34 H new ATOM 0 HG LEU A 32 -4.576 7.890 0.344 1.00 0.37 H new ATOM 0 HD11 LEU A 32 -2.184 7.384 0.090 1.00 0.36 H new ATOM 0 HD12 LEU A 32 -3.114 5.947 0.577 1.00 0.36 H new ATOM 0 HD13 LEU A 32 -2.578 6.131 -1.110 1.00 0.36 H new ATOM 0 HD21 LEU A 32 -3.231 9.131 -1.308 1.00 0.43 H new ATOM 0 HD22 LEU A 32 -3.671 7.939 -2.554 1.00 0.43 H new ATOM 0 HD23 LEU A 32 -4.926 8.970 -1.827 1.00 0.43 H new ATOM 492 N GLY A 33 -7.955 6.541 0.690 1.00 0.30 N ATOM 493 CA GLY A 33 -8.844 7.319 1.533 1.00 0.33 C ATOM 494 C GLY A 33 -9.441 6.533 2.684 1.00 0.34 C ATOM 495 O GLY A 33 -9.732 7.097 3.733 1.00 0.36 O ATOM 0 H GLY A 33 -8.366 6.228 -0.190 1.00 0.30 H new ATOM 0 HA2 GLY A 33 -8.296 8.172 1.934 1.00 0.33 H new ATOM 0 HA3 GLY A 33 -9.652 7.719 0.921 1.00 0.33 H new ATOM 499 N THR A 34 -9.603 5.225 2.513 1.00 0.36 N ATOM 500 CA THR A 34 -10.186 4.393 3.556 1.00 0.39 C ATOM 501 C THR A 34 -9.299 4.354 4.792 1.00 0.40 C ATOM 502 O THR A 34 -9.779 4.135 5.906 1.00 0.46 O ATOM 503 CB THR A 34 -10.431 2.956 3.064 1.00 0.43 C ATOM 504 OG1 THR A 34 -9.434 2.590 2.103 1.00 0.42 O ATOM 505 CG2 THR A 34 -11.812 2.819 2.453 1.00 0.47 C ATOM 0 H THR A 34 -9.340 4.721 1.666 1.00 0.36 H new ATOM 0 HA THR A 34 -11.144 4.844 3.816 1.00 0.39 H new ATOM 0 HB THR A 34 -10.368 2.287 3.922 1.00 0.43 H new ATOM 0 HG1 THR A 34 -9.738 2.838 1.205 1.00 0.42 H new ATOM 0 HG21 THR A 34 -11.960 1.794 2.113 1.00 0.47 H new ATOM 0 HG22 THR A 34 -12.566 3.066 3.200 1.00 0.47 H new ATOM 0 HG23 THR A 34 -11.904 3.499 1.606 1.00 0.47 H new ATOM 513 N VAL A 35 -7.997 4.575 4.605 1.00 0.40 N ATOM 514 CA VAL A 35 -7.064 4.565 5.706 1.00 0.43 C ATOM 515 C VAL A 35 -7.123 5.898 6.436 1.00 0.40 C ATOM 516 O VAL A 35 -7.379 5.944 7.635 1.00 0.42 O ATOM 517 CB VAL A 35 -5.619 4.295 5.213 1.00 0.51 C ATOM 518 CG1 VAL A 35 -4.640 4.263 6.378 1.00 1.14 C ATOM 519 CG2 VAL A 35 -5.560 2.981 4.454 1.00 1.38 C ATOM 0 H VAL A 35 -7.575 4.762 3.695 1.00 0.40 H new ATOM 0 HA VAL A 35 -7.344 3.761 6.387 1.00 0.43 H new ATOM 0 HB VAL A 35 -5.333 5.109 4.546 1.00 0.51 H new ATOM 0 HG11 VAL A 35 -3.634 4.072 6.003 1.00 1.14 H new ATOM 0 HG12 VAL A 35 -4.658 5.222 6.895 1.00 1.14 H new ATOM 0 HG13 VAL A 35 -4.925 3.472 7.071 1.00 1.14 H new ATOM 0 HG21 VAL A 35 -4.540 2.803 4.113 1.00 1.38 H new ATOM 0 HG22 VAL A 35 -5.870 2.168 5.110 1.00 1.38 H new ATOM 0 HG23 VAL A 35 -6.227 3.028 3.593 1.00 1.38 H new ATOM 529 N MET A 36 -6.913 6.987 5.694 1.00 0.38 N ATOM 530 CA MET A 36 -6.962 8.340 6.253 1.00 0.40 C ATOM 531 C MET A 36 -8.278 8.587 6.967 1.00 0.37 C ATOM 532 O MET A 36 -8.319 9.204 8.028 1.00 0.39 O ATOM 533 CB MET A 36 -6.789 9.372 5.134 1.00 0.46 C ATOM 534 CG MET A 36 -5.545 9.146 4.296 1.00 0.82 C ATOM 535 SD MET A 36 -5.087 10.571 3.297 1.00 0.85 S ATOM 536 CE MET A 36 -3.553 9.973 2.599 1.00 0.83 C ATOM 0 H MET A 36 -6.706 6.957 4.696 1.00 0.38 H new ATOM 0 HA MET A 36 -6.151 8.438 6.975 1.00 0.40 H new ATOM 0 HB2 MET A 36 -7.665 9.345 4.486 1.00 0.46 H new ATOM 0 HB3 MET A 36 -6.747 10.369 5.572 1.00 0.46 H new ATOM 0 HG2 MET A 36 -4.714 8.891 4.954 1.00 0.82 H new ATOM 0 HG3 MET A 36 -5.708 8.290 3.641 1.00 0.82 H new ATOM 0 HE1 MET A 36 -3.228 10.645 1.805 1.00 0.83 H new ATOM 0 HE2 MET A 36 -2.790 9.935 3.376 1.00 0.83 H new ATOM 0 HE3 MET A 36 -3.704 8.974 2.190 1.00 0.83 H new ATOM 546 N ARG A 37 -9.348 8.086 6.379 1.00 0.36 N ATOM 547 CA ARG A 37 -10.689 8.226 6.933 1.00 0.38 C ATOM 548 C ARG A 37 -10.816 7.545 8.296 1.00 0.40 C ATOM 549 O ARG A 37 -11.454 8.076 9.204 1.00 0.45 O ATOM 550 CB ARG A 37 -11.704 7.614 5.965 1.00 0.41 C ATOM 551 CG ARG A 37 -13.149 7.733 6.416 1.00 0.51 C ATOM 552 CD ARG A 37 -14.105 7.488 5.260 1.00 0.71 C ATOM 553 NE ARG A 37 -15.503 7.550 5.675 1.00 1.03 N ATOM 554 CZ ARG A 37 -16.509 6.982 5.009 1.00 1.51 C ATOM 555 NH1 ARG A 37 -16.280 6.322 3.878 1.00 1.88 N ATOM 556 NH2 ARG A 37 -17.746 7.075 5.480 1.00 1.95 N ATOM 0 H ARG A 37 -9.316 7.568 5.501 1.00 0.36 H new ATOM 0 HA ARG A 37 -10.885 9.289 7.070 1.00 0.38 H new ATOM 0 HB2 ARG A 37 -11.598 8.096 4.993 1.00 0.41 H new ATOM 0 HB3 ARG A 37 -11.465 6.560 5.825 1.00 0.41 H new ATOM 0 HG2 ARG A 37 -13.345 7.015 7.212 1.00 0.51 H new ATOM 0 HG3 ARG A 37 -13.323 8.725 6.832 1.00 0.51 H new ATOM 0 HD2 ARG A 37 -13.926 8.229 4.481 1.00 0.71 H new ATOM 0 HD3 ARG A 37 -13.901 6.510 4.823 1.00 0.71 H new ATOM 0 HE ARG A 37 -15.725 8.061 6.530 1.00 1.03 H new ATOM 0 HH11 ARG A 37 -15.330 6.248 3.514 1.00 1.88 H new ATOM 0 HH12 ARG A 37 -17.054 5.890 3.374 1.00 1.88 H new ATOM 0 HH21 ARG A 37 -17.924 7.580 6.348 1.00 1.95 H new ATOM 0 HH22 ARG A 37 -18.518 6.642 4.974 1.00 1.95 H new ATOM 570 N SER A 38 -10.179 6.393 8.446 1.00 0.42 N ATOM 571 CA SER A 38 -10.271 5.627 9.686 1.00 0.45 C ATOM 572 C SER A 38 -9.137 5.964 10.644 1.00 0.46 C ATOM 573 O SER A 38 -9.031 5.392 11.731 1.00 0.59 O ATOM 574 CB SER A 38 -10.248 4.132 9.360 1.00 0.53 C ATOM 575 OG SER A 38 -11.119 3.840 8.277 1.00 0.58 O ATOM 0 H SER A 38 -9.593 5.967 7.728 1.00 0.42 H new ATOM 0 HA SER A 38 -11.207 5.890 10.178 1.00 0.45 H new ATOM 0 HB2 SER A 38 -9.233 3.825 9.109 1.00 0.53 H new ATOM 0 HB3 SER A 38 -10.547 3.559 10.238 1.00 0.53 H new ATOM 0 HG SER A 38 -10.637 3.948 7.431 1.00 0.58 H new ATOM 581 N LEU A 39 -8.305 6.901 10.241 1.00 0.40 N ATOM 582 CA LEU A 39 -7.175 7.309 11.049 1.00 0.43 C ATOM 583 C LEU A 39 -7.392 8.708 11.615 1.00 0.46 C ATOM 584 O LEU A 39 -7.401 8.895 12.832 1.00 0.58 O ATOM 585 CB LEU A 39 -5.897 7.264 10.210 1.00 0.44 C ATOM 586 CG LEU A 39 -4.602 7.022 10.987 1.00 0.46 C ATOM 587 CD1 LEU A 39 -4.601 5.634 11.617 1.00 0.72 C ATOM 588 CD2 LEU A 39 -3.410 7.205 10.064 1.00 0.52 C ATOM 0 H LEU A 39 -8.391 7.397 9.354 1.00 0.40 H new ATOM 0 HA LEU A 39 -7.076 6.618 11.887 1.00 0.43 H new ATOM 0 HB2 LEU A 39 -6.003 6.478 9.462 1.00 0.44 H new ATOM 0 HB3 LEU A 39 -5.805 8.207 9.671 1.00 0.44 H new ATOM 0 HG LEU A 39 -4.532 7.749 11.796 1.00 0.46 H new ATOM 0 HD11 LEU A 39 -3.671 5.484 12.165 1.00 0.72 H new ATOM 0 HD12 LEU A 39 -5.444 5.545 12.302 1.00 0.72 H new ATOM 0 HD13 LEU A 39 -4.688 4.879 10.835 1.00 0.72 H new ATOM 0 HD21 LEU A 39 -2.489 7.032 10.621 1.00 0.52 H new ATOM 0 HD22 LEU A 39 -3.475 6.494 9.240 1.00 0.52 H new ATOM 0 HD23 LEU A 39 -3.409 8.220 9.668 1.00 0.52 H new ATOM 600 N GLY A 40 -7.599 9.681 10.736 1.00 0.44 N ATOM 601 CA GLY A 40 -7.793 11.044 11.195 1.00 0.50 C ATOM 602 C GLY A 40 -8.760 11.831 10.341 1.00 0.50 C ATOM 603 O GLY A 40 -8.488 12.979 9.993 1.00 0.56 O ATOM 0 H GLY A 40 -7.636 9.554 9.725 1.00 0.44 H new ATOM 0 HA2 GLY A 40 -8.158 11.026 12.222 1.00 0.50 H new ATOM 0 HA3 GLY A 40 -6.831 11.556 11.208 1.00 0.50 H new ATOM 607 N GLN A 41 -9.880 11.198 9.998 1.00 0.49 N ATOM 608 CA GLN A 41 -10.932 11.816 9.186 1.00 0.54 C ATOM 609 C GLN A 41 -10.516 11.948 7.722 1.00 0.51 C ATOM 610 O GLN A 41 -9.371 12.258 7.402 1.00 0.60 O ATOM 611 CB GLN A 41 -11.339 13.184 9.753 1.00 0.62 C ATOM 612 CG GLN A 41 -12.542 13.804 9.055 1.00 1.04 C ATOM 613 CD GLN A 41 -12.992 15.103 9.688 1.00 1.93 C ATOM 614 OE1 GLN A 41 -13.789 15.110 10.626 1.00 2.45 O ATOM 615 NE2 GLN A 41 -12.497 16.211 9.165 1.00 2.83 N ATOM 0 H GLN A 41 -10.086 10.238 10.275 1.00 0.49 H new ATOM 0 HA GLN A 41 -11.797 11.154 9.228 1.00 0.54 H new ATOM 0 HB2 GLN A 41 -11.562 13.075 10.814 1.00 0.62 H new ATOM 0 HB3 GLN A 41 -10.493 13.866 9.674 1.00 0.62 H new ATOM 0 HG2 GLN A 41 -12.295 13.983 8.009 1.00 1.04 H new ATOM 0 HG3 GLN A 41 -13.369 13.094 9.070 1.00 1.04 H new ATOM 0 HE21 GLN A 41 -11.839 16.158 8.388 1.00 2.83 H new ATOM 0 HE22 GLN A 41 -12.773 17.119 9.539 1.00 2.83 H new ATOM 624 N ASN A 42 -11.466 11.700 6.839 1.00 0.53 N ATOM 625 CA ASN A 42 -11.233 11.767 5.403 1.00 0.53 C ATOM 626 C ASN A 42 -11.312 13.213 4.915 1.00 0.50 C ATOM 627 O ASN A 42 -12.181 13.965 5.353 1.00 0.56 O ATOM 628 CB ASN A 42 -12.279 10.912 4.688 1.00 0.67 C ATOM 629 CG ASN A 42 -11.907 10.581 3.255 1.00 0.73 C ATOM 630 OD1 ASN A 42 -11.224 9.598 2.996 1.00 0.96 O ATOM 631 ND2 ASN A 42 -12.366 11.392 2.316 1.00 0.63 N ATOM 0 H ASN A 42 -12.421 11.447 7.094 1.00 0.53 H new ATOM 0 HA ASN A 42 -10.235 11.388 5.182 1.00 0.53 H new ATOM 0 HB2 ASN A 42 -12.421 9.984 5.243 1.00 0.67 H new ATOM 0 HB3 ASN A 42 -13.234 11.437 4.696 1.00 0.67 H new ATOM 0 HD21 ASN A 42 -12.154 11.208 1.335 1.00 0.63 H new ATOM 0 HD22 ASN A 42 -12.932 12.201 2.573 1.00 0.63 H new ATOM 638 N PRO A 43 -10.396 13.629 4.017 1.00 0.49 N ATOM 639 CA PRO A 43 -10.381 14.995 3.467 1.00 0.54 C ATOM 640 C PRO A 43 -11.469 15.225 2.419 1.00 0.50 C ATOM 641 O PRO A 43 -12.398 14.425 2.292 1.00 0.48 O ATOM 642 CB PRO A 43 -9.004 15.080 2.812 1.00 0.61 C ATOM 643 CG PRO A 43 -8.681 13.682 2.417 1.00 0.60 C ATOM 644 CD PRO A 43 -9.289 12.808 3.478 1.00 0.56 C ATOM 0 HA PRO A 43 -10.567 15.744 4.237 1.00 0.54 H new ATOM 0 HB2 PRO A 43 -9.019 15.742 1.946 1.00 0.61 H new ATOM 0 HB3 PRO A 43 -8.261 15.477 3.504 1.00 0.61 H new ATOM 0 HG2 PRO A 43 -9.091 13.448 1.435 1.00 0.60 H new ATOM 0 HG3 PRO A 43 -7.603 13.532 2.356 1.00 0.60 H new ATOM 0 HD2 PRO A 43 -9.653 11.868 3.063 1.00 0.56 H new ATOM 0 HD3 PRO A 43 -8.564 12.555 4.252 1.00 0.56 H new ATOM 652 N THR A 44 -11.351 16.313 1.661 1.00 0.57 N ATOM 653 CA THR A 44 -12.323 16.610 0.614 1.00 0.59 C ATOM 654 C THR A 44 -12.030 15.766 -0.623 1.00 0.53 C ATOM 655 O THR A 44 -10.925 15.235 -0.775 1.00 0.50 O ATOM 656 CB THR A 44 -12.317 18.098 0.216 1.00 0.71 C ATOM 657 OG1 THR A 44 -11.009 18.493 -0.218 1.00 0.72 O ATOM 658 CG2 THR A 44 -12.759 18.976 1.376 1.00 0.80 C ATOM 0 H THR A 44 -10.600 16.997 1.751 1.00 0.57 H new ATOM 0 HA THR A 44 -13.308 16.371 1.016 1.00 0.59 H new ATOM 0 HB THR A 44 -13.023 18.227 -0.605 1.00 0.71 H new ATOM 0 HG1 THR A 44 -10.419 18.581 0.560 1.00 0.72 H new ATOM 0 HG21 THR A 44 -12.745 20.021 1.067 1.00 0.80 H new ATOM 0 HG22 THR A 44 -13.770 18.700 1.677 1.00 0.80 H new ATOM 0 HG23 THR A 44 -12.079 18.837 2.217 1.00 0.80 H new ATOM 666 N GLU A 45 -13.015 15.642 -1.502 1.00 0.58 N ATOM 667 CA GLU A 45 -12.865 14.864 -2.724 1.00 0.58 C ATOM 668 C GLU A 45 -11.725 15.417 -3.572 1.00 0.57 C ATOM 669 O GLU A 45 -10.982 14.661 -4.200 1.00 0.56 O ATOM 670 CB GLU A 45 -14.172 14.863 -3.515 1.00 0.68 C ATOM 671 CG GLU A 45 -15.391 14.573 -2.656 1.00 0.81 C ATOM 672 CD GLU A 45 -16.084 15.835 -2.184 1.00 1.39 C ATOM 673 OE1 GLU A 45 -15.527 16.538 -1.312 1.00 2.13 O ATOM 674 OE2 GLU A 45 -17.192 16.127 -2.683 1.00 1.82 O ATOM 0 H GLU A 45 -13.932 16.073 -1.390 1.00 0.58 H new ATOM 0 HA GLU A 45 -12.623 13.836 -2.455 1.00 0.58 H new ATOM 0 HB2 GLU A 45 -14.298 15.832 -3.998 1.00 0.68 H new ATOM 0 HB3 GLU A 45 -14.109 14.118 -4.308 1.00 0.68 H new ATOM 0 HG2 GLU A 45 -16.096 13.967 -3.225 1.00 0.81 H new ATOM 0 HG3 GLU A 45 -15.089 13.983 -1.791 1.00 0.81 H new ATOM 681 N ALA A 46 -11.581 16.741 -3.580 1.00 0.60 N ATOM 682 CA ALA A 46 -10.517 17.385 -4.336 1.00 0.61 C ATOM 683 C ALA A 46 -9.153 16.983 -3.774 1.00 0.55 C ATOM 684 O ALA A 46 -8.253 16.608 -4.529 1.00 0.54 O ATOM 685 CB ALA A 46 -10.683 18.901 -4.329 1.00 0.70 C ATOM 0 H ALA A 46 -12.188 17.384 -3.072 1.00 0.60 H new ATOM 0 HA ALA A 46 -10.578 17.050 -5.371 1.00 0.61 H new ATOM 0 HB1 ALA A 46 -9.875 19.358 -4.901 1.00 0.70 H new ATOM 0 HB2 ALA A 46 -11.640 19.164 -4.779 1.00 0.70 H new ATOM 0 HB3 ALA A 46 -10.652 19.266 -3.302 1.00 0.70 H new ATOM 691 N GLU A 47 -9.013 17.048 -2.444 1.00 0.54 N ATOM 692 CA GLU A 47 -7.760 16.668 -1.783 1.00 0.51 C ATOM 693 C GLU A 47 -7.468 15.191 -2.014 1.00 0.46 C ATOM 694 O GLU A 47 -6.327 14.798 -2.248 1.00 0.46 O ATOM 695 CB GLU A 47 -7.836 16.917 -0.275 1.00 0.55 C ATOM 696 CG GLU A 47 -7.850 18.383 0.103 1.00 0.66 C ATOM 697 CD GLU A 47 -8.138 18.600 1.570 1.00 0.72 C ATOM 698 OE1 GLU A 47 -9.277 18.315 1.998 1.00 0.76 O ATOM 699 OE2 GLU A 47 -7.235 19.060 2.298 1.00 0.81 O ATOM 0 H GLU A 47 -9.748 17.358 -1.808 1.00 0.54 H new ATOM 0 HA GLU A 47 -6.965 17.279 -2.210 1.00 0.51 H new ATOM 0 HB2 GLU A 47 -8.735 16.442 0.117 1.00 0.55 H new ATOM 0 HB3 GLU A 47 -6.985 16.435 0.207 1.00 0.55 H new ATOM 0 HG2 GLU A 47 -6.886 18.828 -0.144 1.00 0.66 H new ATOM 0 HG3 GLU A 47 -8.602 18.901 -0.492 1.00 0.66 H new ATOM 706 N LEU A 48 -8.519 14.382 -1.934 1.00 0.44 N ATOM 707 CA LEU A 48 -8.402 12.946 -2.130 1.00 0.44 C ATOM 708 C LEU A 48 -7.840 12.624 -3.516 1.00 0.43 C ATOM 709 O LEU A 48 -6.971 11.762 -3.661 1.00 0.43 O ATOM 710 CB LEU A 48 -9.768 12.282 -1.964 1.00 0.51 C ATOM 711 CG LEU A 48 -9.766 10.764 -2.106 1.00 0.64 C ATOM 712 CD1 LEU A 48 -8.958 10.119 -0.989 1.00 0.76 C ATOM 713 CD2 LEU A 48 -11.192 10.234 -2.117 1.00 0.73 C ATOM 0 H LEU A 48 -9.467 14.702 -1.733 1.00 0.44 H new ATOM 0 HA LEU A 48 -7.714 12.558 -1.379 1.00 0.44 H new ATOM 0 HB2 LEU A 48 -10.164 12.540 -0.982 1.00 0.51 H new ATOM 0 HB3 LEU A 48 -10.451 12.700 -2.703 1.00 0.51 H new ATOM 0 HG LEU A 48 -9.294 10.506 -3.054 1.00 0.64 H new ATOM 0 HD11 LEU A 48 -8.970 9.036 -1.110 1.00 0.76 H new ATOM 0 HD12 LEU A 48 -7.929 10.477 -1.030 1.00 0.76 H new ATOM 0 HD13 LEU A 48 -9.395 10.381 -0.026 1.00 0.76 H new ATOM 0 HD21 LEU A 48 -11.176 9.149 -2.219 1.00 0.73 H new ATOM 0 HD22 LEU A 48 -11.688 10.504 -1.184 1.00 0.73 H new ATOM 0 HD23 LEU A 48 -11.735 10.669 -2.956 1.00 0.73 H new ATOM 725 N GLN A 49 -8.342 13.325 -4.526 1.00 0.45 N ATOM 726 CA GLN A 49 -7.898 13.111 -5.901 1.00 0.47 C ATOM 727 C GLN A 49 -6.520 13.730 -6.153 1.00 0.46 C ATOM 728 O GLN A 49 -5.714 13.178 -6.899 1.00 0.48 O ATOM 729 CB GLN A 49 -8.917 13.683 -6.888 1.00 0.53 C ATOM 730 CG GLN A 49 -8.696 13.217 -8.316 1.00 0.74 C ATOM 731 CD GLN A 49 -9.646 13.853 -9.306 1.00 0.84 C ATOM 732 OE1 GLN A 49 -10.719 13.314 -9.585 1.00 0.99 O ATOM 733 NE2 GLN A 49 -9.265 15.000 -9.843 1.00 1.12 N ATOM 0 H GLN A 49 -9.056 14.046 -4.420 1.00 0.45 H new ATOM 0 HA GLN A 49 -7.816 12.035 -6.054 1.00 0.47 H new ATOM 0 HB2 GLN A 49 -9.920 13.397 -6.571 1.00 0.53 H new ATOM 0 HB3 GLN A 49 -8.871 14.772 -6.857 1.00 0.53 H new ATOM 0 HG2 GLN A 49 -7.671 13.443 -8.610 1.00 0.74 H new ATOM 0 HG3 GLN A 49 -8.809 12.134 -8.359 1.00 0.74 H new ATOM 0 HE21 GLN A 49 -8.368 15.412 -9.584 1.00 1.12 H new ATOM 0 HE22 GLN A 49 -9.868 15.473 -10.516 1.00 1.12 H new ATOM 742 N ASP A 50 -6.240 14.863 -5.524 1.00 0.45 N ATOM 743 CA ASP A 50 -4.951 15.526 -5.699 1.00 0.46 C ATOM 744 C ASP A 50 -3.830 14.702 -5.082 1.00 0.42 C ATOM 745 O ASP A 50 -2.680 14.779 -5.510 1.00 0.45 O ATOM 746 CB ASP A 50 -4.974 16.928 -5.094 1.00 0.51 C ATOM 747 CG ASP A 50 -3.747 17.738 -5.463 1.00 0.60 C ATOM 748 OD1 ASP A 50 -3.475 17.896 -6.671 1.00 1.10 O ATOM 749 OD2 ASP A 50 -3.061 18.234 -4.542 1.00 1.42 O ATOM 0 H ASP A 50 -6.882 15.341 -4.892 1.00 0.45 H new ATOM 0 HA ASP A 50 -4.764 15.616 -6.769 1.00 0.46 H new ATOM 0 HB2 ASP A 50 -5.867 17.452 -5.433 1.00 0.51 H new ATOM 0 HB3 ASP A 50 -5.042 16.851 -4.009 1.00 0.51 H new ATOM 754 N MET A 51 -4.175 13.882 -4.094 1.00 0.39 N ATOM 755 CA MET A 51 -3.189 13.039 -3.438 1.00 0.38 C ATOM 756 C MET A 51 -2.625 12.032 -4.425 1.00 0.37 C ATOM 757 O MET A 51 -1.415 11.838 -4.497 1.00 0.38 O ATOM 758 CB MET A 51 -3.795 12.304 -2.249 1.00 0.41 C ATOM 759 CG MET A 51 -3.144 12.662 -0.924 1.00 0.45 C ATOM 760 SD MET A 51 -1.370 12.315 -0.876 1.00 0.54 S ATOM 761 CE MET A 51 -1.351 10.522 -0.799 1.00 0.40 C ATOM 0 H MET A 51 -5.124 13.785 -3.734 1.00 0.39 H new ATOM 0 HA MET A 51 -2.388 13.682 -3.073 1.00 0.38 H new ATOM 0 HB2 MET A 51 -4.860 12.531 -2.195 1.00 0.41 H new ATOM 0 HB3 MET A 51 -3.705 11.230 -2.411 1.00 0.41 H new ATOM 0 HG2 MET A 51 -3.305 13.721 -0.724 1.00 0.45 H new ATOM 0 HG3 MET A 51 -3.636 12.108 -0.125 1.00 0.45 H new ATOM 0 HE1 MET A 51 -0.355 10.180 -0.517 1.00 0.40 H new ATOM 0 HE2 MET A 51 -2.075 10.182 -0.058 1.00 0.40 H new ATOM 0 HE3 MET A 51 -1.612 10.113 -1.775 1.00 0.40 H new ATOM 771 N ILE A 52 -3.505 11.412 -5.203 1.00 0.39 N ATOM 772 CA ILE A 52 -3.077 10.423 -6.182 1.00 0.43 C ATOM 773 C ILE A 52 -2.344 11.111 -7.333 1.00 0.47 C ATOM 774 O ILE A 52 -1.537 10.497 -8.029 1.00 0.52 O ATOM 775 CB ILE A 52 -4.263 9.563 -6.705 1.00 0.48 C ATOM 776 CG1 ILE A 52 -3.765 8.211 -7.223 1.00 0.49 C ATOM 777 CG2 ILE A 52 -5.054 10.278 -7.794 1.00 0.59 C ATOM 778 CD1 ILE A 52 -3.287 7.269 -6.138 1.00 0.46 C ATOM 0 H ILE A 52 -4.511 11.576 -5.175 1.00 0.39 H new ATOM 0 HA ILE A 52 -2.391 9.737 -5.686 1.00 0.43 H new ATOM 0 HB ILE A 52 -4.933 9.399 -5.861 1.00 0.48 H new ATOM 0 HG12 ILE A 52 -4.569 7.729 -7.779 1.00 0.49 H new ATOM 0 HG13 ILE A 52 -2.949 8.382 -7.926 1.00 0.49 H new ATOM 0 HG21 ILE A 52 -5.872 9.640 -8.128 1.00 0.59 H new ATOM 0 HG22 ILE A 52 -5.459 11.209 -7.398 1.00 0.59 H new ATOM 0 HG23 ILE A 52 -4.397 10.498 -8.636 1.00 0.59 H new ATOM 0 HD11 ILE A 52 -2.951 6.335 -6.589 1.00 0.46 H new ATOM 0 HD12 ILE A 52 -2.460 7.728 -5.596 1.00 0.46 H new ATOM 0 HD13 ILE A 52 -4.105 7.065 -5.447 1.00 0.46 H new ATOM 790 N ASN A 53 -2.598 12.406 -7.489 1.00 0.50 N ATOM 791 CA ASN A 53 -1.949 13.188 -8.528 1.00 0.57 C ATOM 792 C ASN A 53 -0.530 13.529 -8.080 1.00 0.56 C ATOM 793 O ASN A 53 0.326 13.893 -8.880 1.00 0.61 O ATOM 794 CB ASN A 53 -2.745 14.469 -8.812 1.00 0.65 C ATOM 795 CG ASN A 53 -2.292 15.190 -10.071 1.00 0.72 C ATOM 796 OD1 ASN A 53 -1.803 14.570 -11.011 1.00 0.98 O ATOM 797 ND2 ASN A 53 -2.463 16.500 -10.096 1.00 1.06 N ATOM 0 H ASN A 53 -3.249 12.934 -6.908 1.00 0.50 H new ATOM 0 HA ASN A 53 -1.909 12.606 -9.449 1.00 0.57 H new ATOM 0 HB2 ASN A 53 -3.802 14.219 -8.905 1.00 0.65 H new ATOM 0 HB3 ASN A 53 -2.651 15.144 -7.961 1.00 0.65 H new ATOM 0 HD21 ASN A 53 -2.185 17.035 -10.919 1.00 1.06 H new ATOM 0 HD22 ASN A 53 -2.873 16.976 -9.293 1.00 1.06 H new ATOM 804 N GLU A 54 -0.298 13.402 -6.785 1.00 0.50 N ATOM 805 CA GLU A 54 1.000 13.688 -6.205 1.00 0.51 C ATOM 806 C GLU A 54 1.835 12.410 -6.054 1.00 0.50 C ATOM 807 O GLU A 54 2.977 12.452 -5.592 1.00 0.71 O ATOM 808 CB GLU A 54 0.813 14.370 -4.844 1.00 0.53 C ATOM 809 CG GLU A 54 2.079 14.984 -4.260 1.00 0.62 C ATOM 810 CD GLU A 54 2.729 15.997 -5.183 1.00 0.91 C ATOM 811 OE1 GLU A 54 2.031 16.917 -5.657 1.00 1.58 O ATOM 812 OE2 GLU A 54 3.948 15.880 -5.422 1.00 1.46 O ATOM 0 H GLU A 54 -1.001 13.099 -6.110 1.00 0.50 H new ATOM 0 HA GLU A 54 1.540 14.357 -6.875 1.00 0.51 H new ATOM 0 HB2 GLU A 54 0.060 15.151 -4.945 1.00 0.53 H new ATOM 0 HB3 GLU A 54 0.421 13.639 -4.137 1.00 0.53 H new ATOM 0 HG2 GLU A 54 1.838 15.466 -3.313 1.00 0.62 H new ATOM 0 HG3 GLU A 54 2.793 14.190 -4.041 1.00 0.62 H new ATOM 819 N VAL A 55 1.269 11.270 -6.446 1.00 0.48 N ATOM 820 CA VAL A 55 1.985 9.999 -6.336 1.00 0.46 C ATOM 821 C VAL A 55 2.119 9.295 -7.683 1.00 0.47 C ATOM 822 O VAL A 55 3.195 8.830 -8.044 1.00 0.69 O ATOM 823 CB VAL A 55 1.342 9.045 -5.290 1.00 0.47 C ATOM 824 CG1 VAL A 55 -0.171 9.076 -5.320 1.00 0.39 C ATOM 825 CG2 VAL A 55 1.818 7.623 -5.478 1.00 0.82 C ATOM 0 H VAL A 55 0.330 11.199 -6.838 1.00 0.48 H new ATOM 0 HA VAL A 55 2.986 10.252 -5.986 1.00 0.46 H new ATOM 0 HB VAL A 55 1.665 9.411 -4.316 1.00 0.47 H new ATOM 0 HG11 VAL A 55 -0.564 8.391 -4.569 1.00 0.39 H new ATOM 0 HG12 VAL A 55 -0.519 10.087 -5.106 1.00 0.39 H new ATOM 0 HG13 VAL A 55 -0.522 8.773 -6.307 1.00 0.39 H new ATOM 0 HG21 VAL A 55 1.350 6.981 -4.731 1.00 0.82 H new ATOM 0 HG22 VAL A 55 1.546 7.277 -6.475 1.00 0.82 H new ATOM 0 HG23 VAL A 55 2.901 7.584 -5.363 1.00 0.82 H new ATOM 835 N ASP A 56 1.033 9.224 -8.438 1.00 0.52 N ATOM 836 CA ASP A 56 1.066 8.559 -9.733 1.00 0.52 C ATOM 837 C ASP A 56 1.741 9.430 -10.785 1.00 0.62 C ATOM 838 O ASP A 56 1.139 10.354 -11.337 1.00 0.70 O ATOM 839 CB ASP A 56 -0.339 8.179 -10.183 1.00 0.53 C ATOM 840 CG ASP A 56 -0.314 7.154 -11.284 1.00 0.52 C ATOM 841 OD1 ASP A 56 0.034 5.986 -11.012 1.00 0.52 O ATOM 842 OD2 ASP A 56 -0.642 7.497 -12.432 1.00 0.57 O ATOM 0 H ASP A 56 0.126 9.614 -8.181 1.00 0.52 H new ATOM 0 HA ASP A 56 1.653 7.648 -9.620 1.00 0.52 H new ATOM 0 HB2 ASP A 56 -0.899 7.787 -9.334 1.00 0.53 H new ATOM 0 HB3 ASP A 56 -0.864 9.070 -10.527 1.00 0.53 H new ATOM 847 N ALA A 57 3.008 9.127 -11.041 1.00 0.68 N ATOM 848 CA ALA A 57 3.811 9.856 -12.016 1.00 0.81 C ATOM 849 C ALA A 57 3.488 9.418 -13.445 1.00 0.81 C ATOM 850 O ALA A 57 3.711 10.162 -14.401 1.00 0.88 O ATOM 851 CB ALA A 57 5.286 9.629 -11.716 1.00 0.90 C ATOM 0 H ALA A 57 3.508 8.368 -10.578 1.00 0.68 H new ATOM 0 HA ALA A 57 3.576 10.917 -11.938 1.00 0.81 H new ATOM 0 HB1 ALA A 57 5.892 10.171 -12.441 1.00 0.90 H new ATOM 0 HB2 ALA A 57 5.513 9.989 -10.712 1.00 0.90 H new ATOM 0 HB3 ALA A 57 5.510 8.564 -11.779 1.00 0.90 H new ATOM 857 N ASP A 58 2.945 8.209 -13.581 1.00 0.76 N ATOM 858 CA ASP A 58 2.597 7.646 -14.890 1.00 0.79 C ATOM 859 C ASP A 58 1.310 8.256 -15.452 1.00 0.80 C ATOM 860 O ASP A 58 0.882 7.906 -16.552 1.00 0.85 O ATOM 861 CB ASP A 58 2.480 6.113 -14.816 1.00 0.76 C ATOM 862 CG ASP A 58 1.703 5.617 -13.611 1.00 0.61 C ATOM 863 OD1 ASP A 58 2.162 5.794 -12.474 1.00 0.59 O ATOM 864 OD2 ASP A 58 0.626 5.002 -13.761 1.00 0.62 O ATOM 0 H ASP A 58 2.734 7.594 -12.795 1.00 0.76 H new ATOM 0 HA ASP A 58 3.407 7.901 -15.574 1.00 0.79 H new ATOM 0 HB2 ASP A 58 1.996 5.750 -15.723 1.00 0.76 H new ATOM 0 HB3 ASP A 58 3.481 5.682 -14.794 1.00 0.76 H new ATOM 869 N GLY A 59 0.706 9.162 -14.695 1.00 0.85 N ATOM 870 CA GLY A 59 -0.502 9.838 -15.136 1.00 0.90 C ATOM 871 C GLY A 59 -1.633 8.899 -15.507 1.00 0.91 C ATOM 872 O GLY A 59 -2.262 9.059 -16.545 1.00 1.03 O ATOM 0 H GLY A 59 1.035 9.445 -13.772 1.00 0.85 H new ATOM 0 HA2 GLY A 59 -0.842 10.505 -14.344 1.00 0.90 H new ATOM 0 HA3 GLY A 59 -0.263 10.461 -15.998 1.00 0.90 H new ATOM 876 N ASN A 60 -1.887 7.917 -14.668 1.00 0.82 N ATOM 877 CA ASN A 60 -2.958 6.961 -14.904 1.00 0.85 C ATOM 878 C ASN A 60 -3.863 6.885 -13.671 1.00 0.78 C ATOM 879 O ASN A 60 -5.008 6.445 -13.743 1.00 0.93 O ATOM 880 CB ASN A 60 -2.361 5.598 -15.293 1.00 0.88 C ATOM 881 CG ASN A 60 -2.938 4.406 -14.547 1.00 0.93 C ATOM 882 OD1 ASN A 60 -2.443 4.027 -13.490 1.00 1.23 O ATOM 883 ND2 ASN A 60 -3.968 3.796 -15.111 1.00 1.61 N ATOM 0 H ASN A 60 -1.363 7.756 -13.808 1.00 0.82 H new ATOM 0 HA ASN A 60 -3.580 7.286 -15.738 1.00 0.85 H new ATOM 0 HB2 ASN A 60 -2.510 5.445 -16.362 1.00 0.88 H new ATOM 0 HB3 ASN A 60 -1.285 5.628 -15.122 1.00 0.88 H new ATOM 0 HD21 ASN A 60 -4.382 2.977 -14.666 1.00 1.61 H new ATOM 0 HD22 ASN A 60 -4.348 4.145 -15.991 1.00 1.61 H new ATOM 890 N GLY A 61 -3.343 7.367 -12.549 1.00 0.64 N ATOM 891 CA GLY A 61 -4.094 7.389 -11.306 1.00 0.63 C ATOM 892 C GLY A 61 -4.175 6.031 -10.642 1.00 0.58 C ATOM 893 O GLY A 61 -5.106 5.759 -9.887 1.00 0.67 O ATOM 0 H GLY A 61 -2.400 7.749 -12.477 1.00 0.64 H new ATOM 0 HA2 GLY A 61 -3.629 8.096 -10.619 1.00 0.63 H new ATOM 0 HA3 GLY A 61 -5.103 7.752 -11.503 1.00 0.63 H new ATOM 897 N THR A 62 -3.217 5.171 -10.945 1.00 0.53 N ATOM 898 CA THR A 62 -3.168 3.840 -10.361 1.00 0.52 C ATOM 899 C THR A 62 -1.733 3.341 -10.289 1.00 0.49 C ATOM 900 O THR A 62 -0.906 3.659 -11.150 1.00 0.54 O ATOM 901 CB THR A 62 -3.999 2.823 -11.166 1.00 0.58 C ATOM 902 OG1 THR A 62 -5.257 3.393 -11.550 1.00 0.65 O ATOM 903 CG2 THR A 62 -4.239 1.564 -10.352 1.00 0.65 C ATOM 0 H THR A 62 -2.458 5.372 -11.596 1.00 0.53 H new ATOM 0 HA THR A 62 -3.591 3.923 -9.360 1.00 0.52 H new ATOM 0 HB THR A 62 -3.436 2.564 -12.063 1.00 0.58 H new ATOM 0 HG1 THR A 62 -5.772 2.735 -12.062 1.00 0.65 H new ATOM 0 HG21 THR A 62 -4.828 0.858 -10.938 1.00 0.65 H new ATOM 0 HG22 THR A 62 -3.282 1.111 -10.092 1.00 0.65 H new ATOM 0 HG23 THR A 62 -4.780 1.818 -9.440 1.00 0.65 H new ATOM 911 N ILE A 63 -1.434 2.564 -9.261 1.00 0.47 N ATOM 912 CA ILE A 63 -0.106 2.010 -9.091 1.00 0.46 C ATOM 913 C ILE A 63 -0.183 0.497 -8.989 1.00 0.50 C ATOM 914 O ILE A 63 -0.712 -0.055 -8.017 1.00 0.48 O ATOM 915 CB ILE A 63 0.614 2.612 -7.859 1.00 0.43 C ATOM 916 CG1 ILE A 63 1.197 3.985 -8.231 1.00 0.44 C ATOM 917 CG2 ILE A 63 1.694 1.678 -7.312 1.00 0.45 C ATOM 918 CD1 ILE A 63 2.489 4.337 -7.523 1.00 0.42 C ATOM 0 H ILE A 63 -2.097 2.304 -8.531 1.00 0.47 H new ATOM 0 HA ILE A 63 0.485 2.275 -9.968 1.00 0.46 H new ATOM 0 HB ILE A 63 -0.116 2.737 -7.059 1.00 0.43 H new ATOM 0 HG12 ILE A 63 1.369 4.012 -9.307 1.00 0.44 H new ATOM 0 HG13 ILE A 63 0.455 4.752 -8.008 1.00 0.44 H new ATOM 0 HG21 ILE A 63 2.172 2.141 -6.449 1.00 0.45 H new ATOM 0 HG22 ILE A 63 1.240 0.733 -7.012 1.00 0.45 H new ATOM 0 HG23 ILE A 63 2.440 1.493 -8.085 1.00 0.45 H new ATOM 0 HD11 ILE A 63 2.825 5.322 -7.848 1.00 0.42 H new ATOM 0 HD12 ILE A 63 2.323 4.347 -6.446 1.00 0.42 H new ATOM 0 HD13 ILE A 63 3.250 3.596 -7.765 1.00 0.42 H new ATOM 930 N ASP A 64 0.286 -0.164 -10.033 1.00 0.57 N ATOM 931 CA ASP A 64 0.302 -1.615 -10.085 1.00 0.64 C ATOM 932 C ASP A 64 1.474 -2.155 -9.271 1.00 0.65 C ATOM 933 O ASP A 64 2.224 -1.386 -8.664 1.00 0.61 O ATOM 934 CB ASP A 64 0.420 -2.077 -11.541 1.00 0.70 C ATOM 935 CG ASP A 64 -0.343 -3.358 -11.814 1.00 0.82 C ATOM 936 OD1 ASP A 64 0.046 -4.412 -11.277 1.00 0.95 O ATOM 937 OD2 ASP A 64 -1.339 -3.308 -12.569 1.00 1.09 O ATOM 0 H ASP A 64 0.665 0.288 -10.865 1.00 0.57 H new ATOM 0 HA ASP A 64 -0.626 -1.998 -9.661 1.00 0.64 H new ATOM 0 HB2 ASP A 64 0.048 -1.291 -12.198 1.00 0.70 H new ATOM 0 HB3 ASP A 64 1.472 -2.226 -11.786 1.00 0.70 H new ATOM 942 N PHE A 65 1.646 -3.470 -9.291 1.00 0.73 N ATOM 943 CA PHE A 65 2.726 -4.121 -8.554 1.00 0.77 C ATOM 944 C PHE A 65 4.101 -3.579 -8.982 1.00 0.75 C ATOM 945 O PHE A 65 4.881 -3.161 -8.126 1.00 0.75 O ATOM 946 CB PHE A 65 2.655 -5.640 -8.737 1.00 0.88 C ATOM 947 CG PHE A 65 1.487 -6.278 -8.038 1.00 1.13 C ATOM 948 CD1 PHE A 65 0.225 -6.282 -8.613 1.00 1.40 C ATOM 949 CD2 PHE A 65 1.658 -6.879 -6.803 1.00 1.38 C ATOM 950 CE1 PHE A 65 -0.842 -6.877 -7.966 1.00 1.70 C ATOM 951 CE2 PHE A 65 0.593 -7.474 -6.154 1.00 1.68 C ATOM 952 CZ PHE A 65 -0.657 -7.470 -6.735 1.00 1.78 C ATOM 0 H PHE A 65 1.049 -4.112 -9.812 1.00 0.73 H new ATOM 0 HA PHE A 65 2.599 -3.894 -7.496 1.00 0.77 H new ATOM 0 HB2 PHE A 65 2.598 -5.867 -9.802 1.00 0.88 H new ATOM 0 HB3 PHE A 65 3.578 -6.086 -8.365 1.00 0.88 H new ATOM 0 HD1 PHE A 65 0.074 -5.816 -9.575 1.00 1.40 H new ATOM 0 HD2 PHE A 65 2.634 -6.883 -6.342 1.00 1.38 H new ATOM 0 HE1 PHE A 65 -1.820 -6.877 -8.424 1.00 1.70 H new ATOM 0 HE2 PHE A 65 0.740 -7.942 -5.192 1.00 1.68 H new ATOM 0 HZ PHE A 65 -1.491 -7.931 -6.226 1.00 1.78 H new ATOM 962 N PRO A 66 4.438 -3.584 -10.296 1.00 0.76 N ATOM 963 CA PRO A 66 5.726 -3.061 -10.785 1.00 0.78 C ATOM 964 C PRO A 66 5.955 -1.605 -10.365 1.00 0.73 C ATOM 965 O PRO A 66 7.081 -1.207 -10.053 1.00 0.77 O ATOM 966 CB PRO A 66 5.607 -3.160 -12.314 1.00 0.79 C ATOM 967 CG PRO A 66 4.167 -3.408 -12.598 1.00 0.77 C ATOM 968 CD PRO A 66 3.631 -4.132 -11.402 1.00 0.79 C ATOM 0 HA PRO A 66 6.569 -3.619 -10.376 1.00 0.78 H new ATOM 0 HB2 PRO A 66 5.946 -2.241 -12.792 1.00 0.79 H new ATOM 0 HB3 PRO A 66 6.226 -3.969 -12.702 1.00 0.79 H new ATOM 0 HG2 PRO A 66 3.634 -2.471 -12.759 1.00 0.77 H new ATOM 0 HG3 PRO A 66 4.044 -4.004 -13.502 1.00 0.77 H new ATOM 0 HD2 PRO A 66 2.567 -3.943 -11.258 1.00 0.79 H new ATOM 0 HD3 PRO A 66 3.753 -5.211 -11.495 1.00 0.79 H new ATOM 976 N GLU A 67 4.878 -0.828 -10.334 1.00 0.66 N ATOM 977 CA GLU A 67 4.951 0.575 -9.955 1.00 0.62 C ATOM 978 C GLU A 67 5.268 0.699 -8.470 1.00 0.62 C ATOM 979 O GLU A 67 6.050 1.553 -8.058 1.00 0.64 O ATOM 980 CB GLU A 67 3.623 1.285 -10.236 1.00 0.58 C ATOM 981 CG GLU A 67 3.306 1.506 -11.705 1.00 0.60 C ATOM 982 CD GLU A 67 1.902 2.039 -11.886 1.00 0.54 C ATOM 983 OE1 GLU A 67 1.688 3.261 -11.696 1.00 0.52 O ATOM 984 OE2 GLU A 67 0.999 1.246 -12.192 1.00 0.61 O ATOM 0 H GLU A 67 3.939 -1.150 -10.569 1.00 0.66 H new ATOM 0 HA GLU A 67 5.740 1.041 -10.545 1.00 0.62 H new ATOM 0 HB2 GLU A 67 2.817 0.703 -9.790 1.00 0.58 H new ATOM 0 HB3 GLU A 67 3.633 2.252 -9.733 1.00 0.58 H new ATOM 0 HG2 GLU A 67 4.022 2.207 -12.133 1.00 0.60 H new ATOM 0 HG3 GLU A 67 3.415 0.568 -12.249 1.00 0.60 H new ATOM 991 N PHE A 68 4.666 -0.186 -7.678 1.00 0.60 N ATOM 992 CA PHE A 68 4.843 -0.197 -6.226 1.00 0.59 C ATOM 993 C PHE A 68 6.309 -0.397 -5.849 1.00 0.63 C ATOM 994 O PHE A 68 6.809 0.224 -4.908 1.00 0.67 O ATOM 995 CB PHE A 68 3.974 -1.297 -5.600 1.00 0.60 C ATOM 996 CG PHE A 68 3.962 -1.283 -4.097 1.00 0.58 C ATOM 997 CD1 PHE A 68 3.295 -0.285 -3.408 1.00 0.55 C ATOM 998 CD2 PHE A 68 4.615 -2.270 -3.374 1.00 0.71 C ATOM 999 CE1 PHE A 68 3.275 -0.270 -2.024 1.00 0.62 C ATOM 1000 CE2 PHE A 68 4.600 -2.261 -1.992 1.00 0.77 C ATOM 1001 CZ PHE A 68 3.929 -1.260 -1.317 1.00 0.71 C ATOM 0 H PHE A 68 4.042 -0.915 -8.024 1.00 0.60 H new ATOM 0 HA PHE A 68 4.528 0.771 -5.836 1.00 0.59 H new ATOM 0 HB2 PHE A 68 2.952 -1.189 -5.963 1.00 0.60 H new ATOM 0 HB3 PHE A 68 4.333 -2.268 -5.942 1.00 0.60 H new ATOM 0 HD1 PHE A 68 2.784 0.492 -3.957 1.00 0.55 H new ATOM 0 HD2 PHE A 68 5.141 -3.055 -3.897 1.00 0.71 H new ATOM 0 HE1 PHE A 68 2.749 0.514 -1.498 1.00 0.62 H new ATOM 0 HE2 PHE A 68 5.112 -3.036 -1.441 1.00 0.77 H new ATOM 0 HZ PHE A 68 3.916 -1.251 -0.237 1.00 0.71 H new ATOM 1011 N LEU A 69 6.989 -1.260 -6.594 1.00 0.66 N ATOM 1012 CA LEU A 69 8.399 -1.547 -6.346 1.00 0.72 C ATOM 1013 C LEU A 69 9.247 -0.305 -6.578 1.00 0.76 C ATOM 1014 O LEU A 69 10.213 -0.054 -5.869 1.00 0.82 O ATOM 1015 CB LEU A 69 8.885 -2.679 -7.251 1.00 0.75 C ATOM 1016 CG LEU A 69 8.200 -4.030 -7.031 1.00 0.79 C ATOM 1017 CD1 LEU A 69 8.642 -5.018 -8.100 1.00 0.82 C ATOM 1018 CD2 LEU A 69 8.512 -4.567 -5.641 1.00 0.90 C ATOM 0 H LEU A 69 6.587 -1.775 -7.377 1.00 0.66 H new ATOM 0 HA LEU A 69 8.502 -1.857 -5.306 1.00 0.72 H new ATOM 0 HB2 LEU A 69 8.739 -2.381 -8.289 1.00 0.75 H new ATOM 0 HB3 LEU A 69 9.958 -2.805 -7.103 1.00 0.75 H new ATOM 0 HG LEU A 69 7.121 -3.893 -7.107 1.00 0.79 H new ATOM 0 HD11 LEU A 69 8.150 -5.976 -7.936 1.00 0.82 H new ATOM 0 HD12 LEU A 69 8.371 -4.635 -9.084 1.00 0.82 H new ATOM 0 HD13 LEU A 69 9.723 -5.152 -8.048 1.00 0.82 H new ATOM 0 HD21 LEU A 69 8.017 -5.528 -5.503 1.00 0.90 H new ATOM 0 HD22 LEU A 69 9.589 -4.695 -5.534 1.00 0.90 H new ATOM 0 HD23 LEU A 69 8.154 -3.863 -4.890 1.00 0.90 H new ATOM 1030 N THR A 70 8.863 0.473 -7.574 1.00 0.75 N ATOM 1031 CA THR A 70 9.579 1.683 -7.916 1.00 0.82 C ATOM 1032 C THR A 70 9.195 2.841 -6.985 1.00 0.78 C ATOM 1033 O THR A 70 10.051 3.625 -6.570 1.00 0.98 O ATOM 1034 CB THR A 70 9.299 2.064 -9.376 1.00 0.89 C ATOM 1035 OG1 THR A 70 9.448 0.904 -10.211 1.00 0.95 O ATOM 1036 CG2 THR A 70 10.244 3.155 -9.847 1.00 1.02 C ATOM 0 H THR A 70 8.052 0.284 -8.163 1.00 0.75 H new ATOM 0 HA THR A 70 10.645 1.492 -7.791 1.00 0.82 H new ATOM 0 HB THR A 70 8.279 2.442 -9.443 1.00 0.89 H new ATOM 0 HG1 THR A 70 8.667 0.322 -10.105 1.00 0.95 H new ATOM 0 HG21 THR A 70 10.023 3.405 -10.885 1.00 1.02 H new ATOM 0 HG22 THR A 70 10.116 4.041 -9.225 1.00 1.02 H new ATOM 0 HG23 THR A 70 11.273 2.803 -9.770 1.00 1.02 H new ATOM 1044 N MET A 71 7.905 2.920 -6.657 1.00 0.69 N ATOM 1045 CA MET A 71 7.377 3.971 -5.784 1.00 0.66 C ATOM 1046 C MET A 71 7.979 3.906 -4.376 1.00 0.66 C ATOM 1047 O MET A 71 8.553 4.883 -3.895 1.00 0.69 O ATOM 1048 CB MET A 71 5.843 3.866 -5.707 1.00 0.67 C ATOM 1049 CG MET A 71 5.217 4.534 -4.483 1.00 0.68 C ATOM 1050 SD MET A 71 5.118 6.330 -4.599 1.00 0.63 S ATOM 1051 CE MET A 71 4.724 6.737 -2.897 1.00 0.67 C ATOM 0 H MET A 71 7.199 2.261 -6.987 1.00 0.69 H new ATOM 0 HA MET A 71 7.659 4.931 -6.216 1.00 0.66 H new ATOM 0 HB2 MET A 71 5.416 4.312 -6.605 1.00 0.67 H new ATOM 0 HB3 MET A 71 5.564 2.812 -5.711 1.00 0.67 H new ATOM 0 HG2 MET A 71 4.214 4.134 -4.337 1.00 0.68 H new ATOM 0 HG3 MET A 71 5.798 4.269 -3.600 1.00 0.68 H new ATOM 0 HE1 MET A 71 3.948 7.502 -2.876 1.00 0.67 H new ATOM 0 HE2 MET A 71 4.367 5.845 -2.383 1.00 0.67 H new ATOM 0 HE3 MET A 71 5.617 7.112 -2.396 1.00 0.67 H new ATOM 1061 N MET A 72 7.881 2.749 -3.734 1.00 0.71 N ATOM 1062 CA MET A 72 8.377 2.593 -2.365 1.00 0.77 C ATOM 1063 C MET A 72 9.898 2.577 -2.289 1.00 0.84 C ATOM 1064 O MET A 72 10.472 2.540 -1.199 1.00 0.99 O ATOM 1065 CB MET A 72 7.807 1.320 -1.731 1.00 0.84 C ATOM 1066 CG MET A 72 6.636 1.590 -0.796 1.00 0.79 C ATOM 1067 SD MET A 72 5.326 2.579 -1.552 1.00 0.65 S ATOM 1068 CE MET A 72 4.377 3.070 -0.114 1.00 0.64 C ATOM 0 H MET A 72 7.466 1.907 -4.133 1.00 0.71 H new ATOM 0 HA MET A 72 8.036 3.464 -1.806 1.00 0.77 H new ATOM 0 HB2 MET A 72 7.484 0.641 -2.521 1.00 0.84 H new ATOM 0 HB3 MET A 72 8.597 0.812 -1.177 1.00 0.84 H new ATOM 0 HG2 MET A 72 6.218 0.639 -0.465 1.00 0.79 H new ATOM 0 HG3 MET A 72 7.002 2.104 0.093 1.00 0.79 H new ATOM 0 HE1 MET A 72 3.372 2.654 -0.182 1.00 0.64 H new ATOM 0 HE2 MET A 72 4.864 2.698 0.788 1.00 0.64 H new ATOM 0 HE3 MET A 72 4.317 4.158 -0.071 1.00 0.64 H new ATOM 1078 N ALA A 73 10.555 2.607 -3.436 1.00 0.92 N ATOM 1079 CA ALA A 73 12.006 2.609 -3.476 1.00 0.99 C ATOM 1080 C ALA A 73 12.526 4.019 -3.739 1.00 1.02 C ATOM 1081 O ALA A 73 13.734 4.240 -3.849 1.00 1.21 O ATOM 1082 CB ALA A 73 12.510 1.652 -4.540 1.00 1.06 C ATOM 0 H ALA A 73 10.106 2.630 -4.352 1.00 0.92 H new ATOM 0 HA ALA A 73 12.380 2.275 -2.508 1.00 0.99 H new ATOM 0 HB1 ALA A 73 13.600 1.667 -4.556 1.00 1.06 H new ATOM 0 HB2 ALA A 73 12.164 0.643 -4.315 1.00 1.06 H new ATOM 0 HB3 ALA A 73 12.129 1.958 -5.514 1.00 1.06 H new ATOM 1088 N ARG A 74 11.607 4.973 -3.821 1.00 0.99 N ATOM 1089 CA ARG A 74 11.971 6.360 -4.086 1.00 1.04 C ATOM 1090 C ARG A 74 11.420 7.288 -3.005 1.00 0.99 C ATOM 1091 O ARG A 74 10.419 7.974 -3.215 1.00 1.02 O ATOM 1092 CB ARG A 74 11.425 6.781 -5.457 1.00 1.13 C ATOM 1093 CG ARG A 74 12.424 7.533 -6.328 1.00 1.37 C ATOM 1094 CD ARG A 74 12.927 8.798 -5.653 1.00 1.71 C ATOM 1095 NE ARG A 74 11.838 9.735 -5.363 1.00 1.78 N ATOM 1096 CZ ARG A 74 11.769 10.976 -5.846 1.00 2.20 C ATOM 1097 NH1 ARG A 74 12.768 11.463 -6.575 1.00 2.56 N ATOM 1098 NH2 ARG A 74 10.717 11.738 -5.580 1.00 2.56 N ATOM 0 H ARG A 74 10.606 4.813 -3.708 1.00 0.99 H new ATOM 0 HA ARG A 74 13.058 6.438 -4.082 1.00 1.04 H new ATOM 0 HB2 ARG A 74 11.093 5.891 -5.991 1.00 1.13 H new ATOM 0 HB3 ARG A 74 10.547 7.409 -5.308 1.00 1.13 H new ATOM 0 HG2 ARG A 74 13.269 6.883 -6.555 1.00 1.37 H new ATOM 0 HG3 ARG A 74 11.955 7.790 -7.278 1.00 1.37 H new ATOM 0 HD2 ARG A 74 13.437 8.536 -4.726 1.00 1.71 H new ATOM 0 HD3 ARG A 74 13.662 9.284 -6.295 1.00 1.71 H new ATOM 0 HE ARG A 74 11.085 9.418 -4.753 1.00 1.78 H new ATOM 0 HH11 ARG A 74 13.588 10.887 -6.765 1.00 2.56 H new ATOM 0 HH12 ARG A 74 12.714 12.412 -6.944 1.00 2.56 H new ATOM 0 HH21 ARG A 74 9.957 11.375 -5.004 1.00 2.56 H new ATOM 0 HH22 ARG A 74 10.668 12.687 -5.951 1.00 2.56 H new ATOM 1112 N LYS A 75 12.081 7.324 -1.855 1.00 1.13 N ATOM 1113 CA LYS A 75 11.647 8.180 -0.757 1.00 1.20 C ATOM 1114 C LYS A 75 12.227 9.577 -0.905 1.00 1.26 C ATOM 1115 O LYS A 75 13.112 9.809 -1.729 1.00 1.34 O ATOM 1116 CB LYS A 75 12.068 7.597 0.589 1.00 1.29 C ATOM 1117 CG LYS A 75 13.528 7.188 0.630 1.00 1.61 C ATOM 1118 CD LYS A 75 13.877 6.472 1.923 1.00 1.88 C ATOM 1119 CE LYS A 75 15.243 5.813 1.836 1.00 2.51 C ATOM 1120 NZ LYS A 75 15.202 4.552 1.046 1.00 3.25 N ATOM 0 H LYS A 75 12.916 6.773 -1.658 1.00 1.13 H new ATOM 0 HA LYS A 75 10.559 8.237 -0.793 1.00 1.20 H new ATOM 0 HB2 LYS A 75 11.881 8.333 1.371 1.00 1.29 H new ATOM 0 HB3 LYS A 75 11.447 6.729 0.812 1.00 1.29 H new ATOM 0 HG2 LYS A 75 13.747 6.537 -0.216 1.00 1.61 H new ATOM 0 HG3 LYS A 75 14.156 8.072 0.523 1.00 1.61 H new ATOM 0 HD2 LYS A 75 13.865 7.183 2.750 1.00 1.88 H new ATOM 0 HD3 LYS A 75 13.120 5.718 2.140 1.00 1.88 H new ATOM 0 HE2 LYS A 75 15.951 6.504 1.379 1.00 2.51 H new ATOM 0 HE3 LYS A 75 15.608 5.600 2.841 1.00 2.51 H new ATOM 0 HZ1 LYS A 75 16.133 4.090 1.081 1.00 3.25 H new ATOM 0 HZ2 LYS A 75 14.484 3.915 1.446 1.00 3.25 H new ATOM 0 HZ3 LYS A 75 14.960 4.769 0.058 1.00 3.25 H new ATOM 1134 N MET A 76 11.737 10.494 -0.092 1.00 1.32 N ATOM 1135 CA MET A 76 12.200 11.868 -0.133 1.00 1.43 C ATOM 1136 C MET A 76 13.339 12.099 0.852 1.00 1.44 C ATOM 1137 O MET A 76 13.477 11.370 1.834 1.00 1.49 O ATOM 1138 CB MET A 76 11.043 12.814 0.158 1.00 1.57 C ATOM 1139 CG MET A 76 10.306 13.247 -1.094 1.00 1.80 C ATOM 1140 SD MET A 76 8.681 13.932 -0.746 1.00 2.45 S ATOM 1141 CE MET A 76 9.102 15.325 0.297 1.00 2.59 C ATOM 0 H MET A 76 11.016 10.311 0.607 1.00 1.32 H new ATOM 0 HA MET A 76 12.583 12.069 -1.133 1.00 1.43 H new ATOM 0 HB2 MET A 76 10.342 12.326 0.835 1.00 1.57 H new ATOM 0 HB3 MET A 76 11.422 13.696 0.674 1.00 1.57 H new ATOM 0 HG2 MET A 76 10.903 13.991 -1.622 1.00 1.80 H new ATOM 0 HG3 MET A 76 10.199 12.392 -1.761 1.00 1.80 H new ATOM 0 HE1 MET A 76 8.208 15.918 0.490 1.00 2.59 H new ATOM 0 HE2 MET A 76 9.508 14.963 1.242 1.00 2.59 H new ATOM 0 HE3 MET A 76 9.847 15.943 -0.205 1.00 2.59 H new ATOM 1151 N LYS A 77 14.140 13.128 0.589 1.00 1.50 N ATOM 1152 CA LYS A 77 15.280 13.459 1.443 1.00 1.56 C ATOM 1153 C LYS A 77 14.964 14.639 2.362 1.00 1.66 C ATOM 1154 O LYS A 77 15.858 15.231 2.973 1.00 2.06 O ATOM 1155 CB LYS A 77 16.506 13.779 0.583 1.00 1.64 C ATOM 1156 CG LYS A 77 17.026 12.579 -0.194 1.00 1.64 C ATOM 1157 CD LYS A 77 17.775 13.009 -1.447 1.00 1.91 C ATOM 1158 CE LYS A 77 18.060 11.823 -2.355 1.00 2.08 C ATOM 1159 NZ LYS A 77 18.804 12.216 -3.586 1.00 2.45 N ATOM 0 H LYS A 77 14.021 13.750 -0.211 1.00 1.50 H new ATOM 0 HA LYS A 77 15.493 12.592 2.068 1.00 1.56 H new ATOM 0 HB2 LYS A 77 16.252 14.574 -0.118 1.00 1.64 H new ATOM 0 HB3 LYS A 77 17.301 14.160 1.224 1.00 1.64 H new ATOM 0 HG2 LYS A 77 17.687 11.991 0.442 1.00 1.64 H new ATOM 0 HG3 LYS A 77 16.192 11.934 -0.471 1.00 1.64 H new ATOM 0 HD2 LYS A 77 17.187 13.751 -1.988 1.00 1.91 H new ATOM 0 HD3 LYS A 77 18.713 13.488 -1.166 1.00 1.91 H new ATOM 0 HE2 LYS A 77 18.638 11.079 -1.806 1.00 2.08 H new ATOM 0 HE3 LYS A 77 17.119 11.351 -2.637 1.00 2.08 H new ATOM 0 HZ1 LYS A 77 18.974 11.374 -4.172 1.00 2.45 H new ATOM 0 HZ2 LYS A 77 18.243 12.906 -4.125 1.00 2.45 H new ATOM 0 HZ3 LYS A 77 19.714 12.643 -3.320 1.00 2.45 H new ATOM 1173 N ASP A 78 13.684 14.972 2.466 1.00 1.54 N ATOM 1174 CA ASP A 78 13.249 16.078 3.312 1.00 1.63 C ATOM 1175 C ASP A 78 12.890 15.572 4.701 1.00 1.72 C ATOM 1176 O ASP A 78 12.845 14.366 4.934 1.00 1.77 O ATOM 1177 CB ASP A 78 12.042 16.785 2.689 1.00 1.67 C ATOM 1178 CG ASP A 78 12.423 17.720 1.561 1.00 1.81 C ATOM 1179 OD1 ASP A 78 12.925 18.830 1.837 1.00 2.35 O ATOM 1180 OD2 ASP A 78 12.214 17.353 0.383 1.00 1.95 O ATOM 0 H ASP A 78 12.929 14.493 1.976 1.00 1.54 H new ATOM 0 HA ASP A 78 14.070 16.790 3.395 1.00 1.63 H new ATOM 0 HB2 ASP A 78 11.343 16.037 2.314 1.00 1.67 H new ATOM 0 HB3 ASP A 78 11.520 17.350 3.461 1.00 1.67 H new ATOM 1185 N THR A 79 12.648 16.491 5.621 1.00 1.95 N ATOM 1186 CA THR A 79 12.282 16.127 6.975 1.00 2.15 C ATOM 1187 C THR A 79 10.837 15.627 7.012 1.00 2.00 C ATOM 1188 O THR A 79 9.921 16.340 6.598 1.00 2.13 O ATOM 1189 CB THR A 79 12.439 17.325 7.927 1.00 2.65 C ATOM 1190 OG1 THR A 79 13.529 18.153 7.491 1.00 2.87 O ATOM 1191 CG2 THR A 79 12.693 16.845 9.345 1.00 3.14 C ATOM 0 H THR A 79 12.699 17.496 5.452 1.00 1.95 H new ATOM 0 HA THR A 79 12.950 15.331 7.305 1.00 2.15 H new ATOM 0 HB THR A 79 11.517 17.906 7.914 1.00 2.65 H new ATOM 0 HG1 THR A 79 13.624 18.916 8.099 1.00 2.87 H new ATOM 0 HG21 THR A 79 12.802 17.705 10.006 1.00 3.14 H new ATOM 0 HG22 THR A 79 11.854 16.235 9.678 1.00 3.14 H new ATOM 0 HG23 THR A 79 13.606 16.250 9.370 1.00 3.14 H new ATOM 1199 N ASP A 80 10.638 14.408 7.492 1.00 2.01 N ATOM 1200 CA ASP A 80 9.309 13.828 7.562 1.00 2.07 C ATOM 1201 C ASP A 80 8.822 13.760 9.004 1.00 2.26 C ATOM 1202 O ASP A 80 9.661 13.728 9.931 1.00 2.49 O ATOM 1203 CB ASP A 80 9.290 12.438 6.912 1.00 2.36 C ATOM 1204 CG ASP A 80 9.515 11.299 7.893 1.00 2.79 C ATOM 1205 OD1 ASP A 80 10.667 11.117 8.347 1.00 2.99 O ATOM 1206 OD2 ASP A 80 8.544 10.565 8.202 1.00 3.21 O ATOM 1207 OXT ASP A 80 7.593 13.768 9.208 1.00 2.37 O ATOM 0 H ASP A 80 11.382 13.803 7.839 1.00 2.01 H new ATOM 0 HA ASP A 80 8.627 14.472 7.007 1.00 2.07 H new ATOM 0 HB2 ASP A 80 8.331 12.293 6.415 1.00 2.36 H new ATOM 0 HB3 ASP A 80 10.059 12.398 6.140 1.00 2.36 H new TER 1212 ASP A 80 ATOM 1213 N ARG B 287 3.594 15.805 0.118 1.00 0.99 N ATOM 1214 CA ARG B 287 3.830 14.902 -1.027 1.00 0.79 C ATOM 1215 C ARG B 287 3.236 13.530 -0.735 1.00 0.66 C ATOM 1216 O ARG B 287 3.247 13.071 0.406 1.00 0.65 O ATOM 1217 CB ARG B 287 5.328 14.785 -1.314 1.00 0.87 C ATOM 1218 CG ARG B 287 5.641 14.115 -2.642 1.00 0.86 C ATOM 1219 CD ARG B 287 6.720 14.869 -3.402 1.00 1.18 C ATOM 1220 NE ARG B 287 6.199 16.069 -4.054 1.00 1.77 N ATOM 1221 CZ ARG B 287 6.767 17.275 -3.965 1.00 2.50 C ATOM 1222 NH1 ARG B 287 7.882 17.432 -3.265 1.00 2.87 N ATOM 1223 NH2 ARG B 287 6.230 18.309 -4.595 1.00 3.11 N ATOM 0 HA ARG B 287 3.343 15.317 -1.910 1.00 0.79 H new ATOM 0 HB2 ARG B 287 5.770 15.781 -1.306 1.00 0.87 H new ATOM 0 HB3 ARG B 287 5.801 14.220 -0.511 1.00 0.87 H new ATOM 0 HG2 ARG B 287 5.966 13.090 -2.466 1.00 0.86 H new ATOM 0 HG3 ARG B 287 4.736 14.063 -3.247 1.00 0.86 H new ATOM 0 HD2 ARG B 287 7.518 15.148 -2.715 1.00 1.18 H new ATOM 0 HD3 ARG B 287 7.160 14.212 -4.152 1.00 1.18 H new ATOM 0 HE ARG B 287 5.349 15.980 -4.611 1.00 1.77 H new ATOM 0 HH11 ARG B 287 8.306 16.632 -2.795 1.00 2.87 H new ATOM 0 HH12 ARG B 287 8.316 18.353 -3.197 1.00 2.87 H new ATOM 0 HH21 ARG B 287 5.382 18.185 -5.149 1.00 3.11 H new ATOM 0 HH22 ARG B 287 6.664 19.229 -4.527 1.00 3.11 H new ATOM 1239 N ALA B 288 2.729 12.869 -1.763 1.00 0.60 N ATOM 1240 CA ALA B 288 2.112 11.559 -1.598 1.00 0.51 C ATOM 1241 C ALA B 288 3.121 10.481 -1.199 1.00 0.50 C ATOM 1242 O ALA B 288 2.760 9.462 -0.641 1.00 0.48 O ATOM 1243 CB ALA B 288 1.382 11.161 -2.866 1.00 0.54 C ATOM 0 H ALA B 288 2.732 13.217 -2.722 1.00 0.60 H new ATOM 0 HA ALA B 288 1.397 11.640 -0.779 1.00 0.51 H new ATOM 0 HB1 ALA B 288 0.925 10.181 -2.730 1.00 0.54 H new ATOM 0 HB2 ALA B 288 0.607 11.895 -3.085 1.00 0.54 H new ATOM 0 HB3 ALA B 288 2.088 11.121 -3.695 1.00 0.54 H new ATOM 1249 N ALA B 289 4.397 10.734 -1.459 1.00 0.54 N ATOM 1250 CA ALA B 289 5.446 9.784 -1.129 1.00 0.57 C ATOM 1251 C ALA B 289 5.697 9.704 0.377 1.00 0.58 C ATOM 1252 O ALA B 289 6.635 9.068 0.832 1.00 0.65 O ATOM 1253 CB ALA B 289 6.725 10.068 -1.912 1.00 0.65 C ATOM 0 H ALA B 289 4.729 11.592 -1.899 1.00 0.54 H new ATOM 0 HA ALA B 289 5.095 8.799 -1.436 1.00 0.57 H new ATOM 0 HB1 ALA B 289 7.488 9.338 -1.640 1.00 0.65 H new ATOM 0 HB2 ALA B 289 6.521 9.998 -2.980 1.00 0.65 H new ATOM 0 HB3 ALA B 289 7.081 11.071 -1.676 1.00 0.65 H new ATOM 1259 N ASN B 290 4.990 10.544 1.120 1.00 0.56 N ATOM 1260 CA ASN B 290 5.037 10.544 2.578 1.00 0.58 C ATOM 1261 C ASN B 290 3.710 10.077 3.136 1.00 0.53 C ATOM 1262 O ASN B 290 3.620 9.431 4.184 1.00 0.53 O ATOM 1263 CB ASN B 290 5.445 11.906 3.126 1.00 0.66 C ATOM 1264 CG ASN B 290 6.550 12.556 2.310 1.00 0.74 C ATOM 1265 OD1 ASN B 290 6.274 13.307 1.376 1.00 0.76 O ATOM 1266 ND2 ASN B 290 7.801 12.267 2.643 1.00 0.87 N ATOM 0 H ASN B 290 4.365 11.248 0.728 1.00 0.56 H new ATOM 0 HA ASN B 290 5.806 9.843 2.903 1.00 0.58 H new ATOM 0 HB2 ASN B 290 4.575 12.563 3.142 1.00 0.66 H new ATOM 0 HB3 ASN B 290 5.778 11.794 4.158 1.00 0.66 H new ATOM 0 HD21 ASN B 290 8.575 12.673 2.117 1.00 0.87 H new ATOM 0 HD22 ASN B 290 7.989 11.639 3.425 1.00 0.87 H new ATOM 1273 N LEU B 291 2.650 10.434 2.404 1.00 0.51 N ATOM 1274 CA LEU B 291 1.296 10.076 2.793 1.00 0.48 C ATOM 1275 C LEU B 291 1.001 8.640 2.408 1.00 0.46 C ATOM 1276 O LEU B 291 -0.010 8.084 2.810 1.00 0.71 O ATOM 1277 CB LEU B 291 0.265 11.038 2.205 1.00 0.50 C ATOM 1278 CG LEU B 291 0.061 12.331 3.006 1.00 0.58 C ATOM 1279 CD1 LEU B 291 1.231 13.274 2.789 1.00 1.37 C ATOM 1280 CD2 LEU B 291 -1.250 13.006 2.620 1.00 1.18 C ATOM 0 H LEU B 291 2.711 10.971 1.539 1.00 0.51 H new ATOM 0 HA LEU B 291 1.222 10.161 3.877 1.00 0.48 H new ATOM 0 HB2 LEU B 291 0.569 11.299 1.191 1.00 0.50 H new ATOM 0 HB3 LEU B 291 -0.691 10.521 2.127 1.00 0.50 H new ATOM 0 HG LEU B 291 0.011 12.076 4.065 1.00 0.58 H new ATOM 0 HD11 LEU B 291 1.074 14.187 3.363 1.00 1.37 H new ATOM 0 HD12 LEU B 291 2.152 12.793 3.118 1.00 1.37 H new ATOM 0 HD13 LEU B 291 1.309 13.520 1.730 1.00 1.37 H new ATOM 0 HD21 LEU B 291 -1.373 13.920 3.200 1.00 1.18 H new ATOM 0 HD22 LEU B 291 -1.235 13.250 1.558 1.00 1.18 H new ATOM 0 HD23 LEU B 291 -2.081 12.331 2.825 1.00 1.18 H new ATOM 1292 N TRP B 292 1.866 8.062 1.576 1.00 0.41 N ATOM 1293 CA TRP B 292 1.746 6.659 1.210 1.00 0.39 C ATOM 1294 C TRP B 292 2.487 5.844 2.273 1.00 0.41 C ATOM 1295 O TRP B 292 1.922 4.908 2.841 1.00 0.41 O ATOM 1296 CB TRP B 292 2.291 6.377 -0.207 1.00 0.42 C ATOM 1297 CG TRP B 292 1.252 6.450 -1.288 1.00 0.37 C ATOM 1298 CD1 TRP B 292 0.199 7.315 -1.370 1.00 0.36 C ATOM 1299 CD2 TRP B 292 1.176 5.624 -2.460 1.00 0.37 C ATOM 1300 NE1 TRP B 292 -0.505 7.097 -2.520 1.00 0.34 N ATOM 1301 CE2 TRP B 292 0.070 6.067 -3.202 1.00 0.35 C ATOM 1302 CE3 TRP B 292 1.935 4.560 -2.964 1.00 0.40 C ATOM 1303 CZ2 TRP B 292 -0.293 5.501 -4.409 1.00 0.38 C ATOM 1304 CZ3 TRP B 292 1.563 3.992 -4.171 1.00 0.42 C ATOM 1305 CH2 TRP B 292 0.458 4.471 -4.881 1.00 0.42 C ATOM 0 H TRP B 292 2.654 8.545 1.146 1.00 0.41 H new ATOM 0 HA TRP B 292 0.694 6.374 1.178 1.00 0.39 H new ATOM 0 HB2 TRP B 292 3.082 7.093 -0.429 1.00 0.42 H new ATOM 0 HB3 TRP B 292 2.745 5.386 -0.220 1.00 0.42 H new ATOM 0 HD1 TRP B 292 -0.043 8.065 -0.631 1.00 0.36 H new ATOM 0 HE1 TRP B 292 -1.328 7.620 -2.820 1.00 0.34 H new ATOM 0 HE3 TRP B 292 2.793 4.190 -2.422 1.00 0.40 H new ATOM 0 HZ2 TRP B 292 -1.147 5.866 -4.960 1.00 0.38 H new ATOM 0 HZ3 TRP B 292 2.135 3.167 -4.570 1.00 0.42 H new ATOM 0 HH2 TRP B 292 0.196 4.013 -5.823 1.00 0.42 H new ATOM 1316 N PRO B 293 3.792 6.152 2.533 1.00 0.44 N ATOM 1317 CA PRO B 293 4.558 5.509 3.607 1.00 0.48 C ATOM 1318 C PRO B 293 3.817 5.505 4.942 1.00 0.46 C ATOM 1319 O PRO B 293 3.966 4.571 5.722 1.00 0.47 O ATOM 1320 CB PRO B 293 5.800 6.397 3.691 1.00 0.53 C ATOM 1321 CG PRO B 293 6.038 6.763 2.290 1.00 0.54 C ATOM 1322 CD PRO B 293 4.666 7.038 1.737 1.00 0.49 C ATOM 0 HA PRO B 293 4.760 4.458 3.403 1.00 0.48 H new ATOM 0 HB2 PRO B 293 5.627 7.275 4.314 1.00 0.53 H new ATOM 0 HB3 PRO B 293 6.649 5.864 4.119 1.00 0.53 H new ATOM 0 HG2 PRO B 293 6.681 7.640 2.212 1.00 0.54 H new ATOM 0 HG3 PRO B 293 6.531 5.957 1.747 1.00 0.54 H new ATOM 0 HD2 PRO B 293 4.389 8.086 1.853 1.00 0.49 H new ATOM 0 HD3 PRO B 293 4.608 6.809 0.673 1.00 0.49 H new ATOM 1330 N SER B 294 3.025 6.550 5.199 1.00 0.47 N ATOM 1331 CA SER B 294 2.263 6.638 6.440 1.00 0.47 C ATOM 1332 C SER B 294 1.321 5.421 6.595 1.00 0.42 C ATOM 1333 O SER B 294 1.483 4.660 7.545 1.00 0.40 O ATOM 1334 CB SER B 294 1.525 7.988 6.535 1.00 0.53 C ATOM 1335 OG SER B 294 0.562 7.990 7.574 1.00 0.95 O ATOM 0 H SER B 294 2.898 7.340 4.567 1.00 0.47 H new ATOM 0 HA SER B 294 2.954 6.603 7.282 1.00 0.47 H new ATOM 0 HB2 SER B 294 2.247 8.786 6.708 1.00 0.53 H new ATOM 0 HB3 SER B 294 1.035 8.202 5.585 1.00 0.53 H new ATOM 0 HG SER B 294 0.116 8.862 7.605 1.00 0.95 H new ATOM 1341 N PRO B 295 0.316 5.213 5.703 1.00 0.44 N ATOM 1342 CA PRO B 295 -0.557 4.026 5.764 1.00 0.43 C ATOM 1343 C PRO B 295 0.241 2.723 5.816 1.00 0.40 C ATOM 1344 O PRO B 295 -0.155 1.768 6.486 1.00 0.43 O ATOM 1345 CB PRO B 295 -1.339 4.117 4.456 1.00 0.50 C ATOM 1346 CG PRO B 295 -1.451 5.565 4.214 1.00 0.54 C ATOM 1347 CD PRO B 295 -0.132 6.135 4.651 1.00 0.53 C ATOM 0 HA PRO B 295 -1.180 4.013 6.658 1.00 0.43 H new ATOM 0 HB2 PRO B 295 -0.817 3.615 3.642 1.00 0.50 H new ATOM 0 HB3 PRO B 295 -2.320 3.649 4.543 1.00 0.50 H new ATOM 0 HG2 PRO B 295 -1.643 5.776 3.162 1.00 0.54 H new ATOM 0 HG3 PRO B 295 -2.275 5.997 4.781 1.00 0.54 H new ATOM 0 HD2 PRO B 295 0.579 6.177 3.826 1.00 0.53 H new ATOM 0 HD3 PRO B 295 -0.241 7.151 5.029 1.00 0.53 H new ATOM 1355 N LEU B 296 1.370 2.692 5.108 1.00 0.38 N ATOM 1356 CA LEU B 296 2.228 1.513 5.098 1.00 0.37 C ATOM 1357 C LEU B 296 2.884 1.338 6.470 1.00 0.39 C ATOM 1358 O LEU B 296 3.149 0.217 6.910 1.00 0.43 O ATOM 1359 CB LEU B 296 3.298 1.614 4.002 1.00 0.38 C ATOM 1360 CG LEU B 296 4.021 0.303 3.683 1.00 0.43 C ATOM 1361 CD1 LEU B 296 3.073 -0.681 3.010 1.00 0.46 C ATOM 1362 CD2 LEU B 296 5.244 0.549 2.816 1.00 0.56 C ATOM 0 H LEU B 296 1.708 3.467 4.537 1.00 0.38 H new ATOM 0 HA LEU B 296 1.611 0.641 4.881 1.00 0.37 H new ATOM 0 HB2 LEU B 296 2.829 1.984 3.090 1.00 0.38 H new ATOM 0 HB3 LEU B 296 4.038 2.355 4.304 1.00 0.38 H new ATOM 0 HG LEU B 296 4.360 -0.132 4.623 1.00 0.43 H new ATOM 0 HD11 LEU B 296 3.605 -1.607 2.791 1.00 0.46 H new ATOM 0 HD12 LEU B 296 2.236 -0.892 3.675 1.00 0.46 H new ATOM 0 HD13 LEU B 296 2.699 -0.249 2.082 1.00 0.46 H new ATOM 0 HD21 LEU B 296 5.738 -0.400 2.605 1.00 0.56 H new ATOM 0 HD22 LEU B 296 4.938 1.015 1.879 1.00 0.56 H new ATOM 0 HD23 LEU B 296 5.935 1.209 3.341 1.00 0.56 H new ATOM 1374 N MET B 297 3.131 2.461 7.139 1.00 0.39 N ATOM 1375 CA MET B 297 3.713 2.466 8.476 1.00 0.42 C ATOM 1376 C MET B 297 2.660 1.965 9.454 1.00 0.41 C ATOM 1377 O MET B 297 2.946 1.162 10.345 1.00 0.45 O ATOM 1378 CB MET B 297 4.185 3.882 8.854 1.00 0.45 C ATOM 1379 CG MET B 297 5.251 3.916 9.943 1.00 0.81 C ATOM 1380 SD MET B 297 5.729 5.598 10.394 1.00 1.30 S ATOM 1381 CE MET B 297 6.740 5.293 11.848 1.00 1.79 C ATOM 0 H MET B 297 2.933 3.391 6.770 1.00 0.39 H new ATOM 0 HA MET B 297 4.585 1.813 8.508 1.00 0.42 H new ATOM 0 HB2 MET B 297 4.577 4.372 7.963 1.00 0.45 H new ATOM 0 HB3 MET B 297 3.324 4.463 9.185 1.00 0.45 H new ATOM 0 HG2 MET B 297 4.879 3.399 10.827 1.00 0.81 H new ATOM 0 HG3 MET B 297 6.131 3.371 9.602 1.00 0.81 H new ATOM 0 HE1 MET B 297 7.108 6.241 12.240 1.00 1.79 H new ATOM 0 HE2 MET B 297 6.141 4.793 12.609 1.00 1.79 H new ATOM 0 HE3 MET B 297 7.585 4.660 11.577 1.00 1.79 H new ATOM 1391 N ILE B 298 1.430 2.442 9.262 1.00 0.41 N ATOM 1392 CA ILE B 298 0.297 2.010 10.073 1.00 0.43 C ATOM 1393 C ILE B 298 0.094 0.512 9.839 1.00 0.44 C ATOM 1394 O ILE B 298 -0.299 -0.232 10.741 1.00 0.47 O ATOM 1395 CB ILE B 298 -0.996 2.785 9.712 1.00 0.45 C ATOM 1396 CG1 ILE B 298 -0.806 4.300 9.897 1.00 0.47 C ATOM 1397 CG2 ILE B 298 -2.174 2.290 10.542 1.00 0.50 C ATOM 1398 CD1 ILE B 298 -0.561 4.729 11.331 1.00 0.46 C ATOM 0 H ILE B 298 1.195 3.131 8.548 1.00 0.41 H new ATOM 0 HA ILE B 298 0.509 2.214 11.123 1.00 0.43 H new ATOM 0 HB ILE B 298 -1.212 2.597 8.660 1.00 0.45 H new ATOM 0 HG12 ILE B 298 0.034 4.626 9.284 1.00 0.47 H new ATOM 0 HG13 ILE B 298 -1.692 4.814 9.523 1.00 0.47 H new ATOM 0 HG21 ILE B 298 -3.070 2.848 10.271 1.00 0.50 H new ATOM 0 HG22 ILE B 298 -2.335 1.229 10.349 1.00 0.50 H new ATOM 0 HG23 ILE B 298 -1.961 2.438 11.601 1.00 0.50 H new ATOM 0 HD11 ILE B 298 -0.438 5.811 11.371 1.00 0.46 H new ATOM 0 HD12 ILE B 298 -1.411 4.437 11.948 1.00 0.46 H new ATOM 0 HD13 ILE B 298 0.342 4.247 11.706 1.00 0.46 H new ATOM 1410 N LYS B 299 0.389 0.076 8.614 1.00 0.42 N ATOM 1411 CA LYS B 299 0.296 -1.330 8.250 1.00 0.45 C ATOM 1412 C LYS B 299 1.314 -2.114 9.069 1.00 0.45 C ATOM 1413 O LYS B 299 1.055 -3.238 9.481 1.00 0.51 O ATOM 1414 CB LYS B 299 0.561 -1.531 6.747 1.00 0.45 C ATOM 1415 CG LYS B 299 0.089 -2.875 6.213 1.00 0.44 C ATOM 1416 CD LYS B 299 1.202 -3.654 5.517 1.00 0.45 C ATOM 1417 CE LYS B 299 2.362 -3.946 6.445 1.00 0.45 C ATOM 1418 NZ LYS B 299 3.677 -3.604 5.840 1.00 0.49 N ATOM 0 H LYS B 299 0.696 0.685 7.855 1.00 0.42 H new ATOM 0 HA LYS B 299 -0.712 -1.688 8.460 1.00 0.45 H new ATOM 0 HB2 LYS B 299 0.065 -0.735 6.191 1.00 0.45 H new ATOM 0 HB3 LYS B 299 1.630 -1.432 6.560 1.00 0.45 H new ATOM 0 HG2 LYS B 299 -0.306 -3.470 7.036 1.00 0.44 H new ATOM 0 HG3 LYS B 299 -0.731 -2.716 5.513 1.00 0.44 H new ATOM 0 HD2 LYS B 299 0.801 -4.592 5.133 1.00 0.45 H new ATOM 0 HD3 LYS B 299 1.560 -3.085 4.659 1.00 0.45 H new ATOM 0 HE2 LYS B 299 2.234 -3.383 7.369 1.00 0.45 H new ATOM 0 HE3 LYS B 299 2.352 -5.003 6.712 1.00 0.45 H new ATOM 0 HZ1 LYS B 299 4.428 -3.726 6.549 1.00 0.49 H new ATOM 0 HZ2 LYS B 299 3.860 -4.231 5.030 1.00 0.49 H new ATOM 0 HZ3 LYS B 299 3.664 -2.616 5.517 1.00 0.49 H new ATOM 1432 N ARG B 300 2.477 -1.507 9.296 1.00 0.43 N ATOM 1433 CA ARG B 300 3.532 -2.126 10.096 1.00 0.47 C ATOM 1434 C ARG B 300 3.054 -2.236 11.532 1.00 0.50 C ATOM 1435 O ARG B 300 3.343 -3.202 12.233 1.00 0.54 O ATOM 1436 CB ARG B 300 4.824 -1.302 10.050 1.00 0.48 C ATOM 1437 CG ARG B 300 5.705 -1.593 8.848 1.00 1.11 C ATOM 1438 CD ARG B 300 6.965 -0.744 8.870 1.00 1.25 C ATOM 1439 NE ARG B 300 7.937 -1.146 7.852 1.00 1.44 N ATOM 1440 CZ ARG B 300 8.472 -0.314 6.963 1.00 1.91 C ATOM 1441 NH1 ARG B 300 8.065 0.950 6.893 1.00 2.30 N ATOM 1442 NH2 ARG B 300 9.428 -0.740 6.145 1.00 2.44 N ATOM 0 H ARG B 300 2.713 -0.583 8.935 1.00 0.43 H new ATOM 0 HA ARG B 300 3.748 -3.113 9.686 1.00 0.47 H new ATOM 0 HB2 ARG B 300 4.566 -0.243 10.050 1.00 0.48 H new ATOM 0 HB3 ARG B 300 5.395 -1.491 10.959 1.00 0.48 H new ATOM 0 HG2 ARG B 300 5.975 -2.649 8.839 1.00 1.11 H new ATOM 0 HG3 ARG B 300 5.149 -1.399 7.931 1.00 1.11 H new ATOM 0 HD2 ARG B 300 6.696 0.301 8.717 1.00 1.25 H new ATOM 0 HD3 ARG B 300 7.427 -0.813 9.855 1.00 1.25 H new ATOM 0 HE ARG B 300 8.222 -2.125 7.823 1.00 1.44 H new ATOM 0 HH11 ARG B 300 7.338 1.287 7.524 1.00 2.30 H new ATOM 0 HH12 ARG B 300 8.480 1.582 6.209 1.00 2.30 H new ATOM 0 HH21 ARG B 300 9.752 -1.706 6.198 1.00 2.44 H new ATOM 0 HH22 ARG B 300 9.838 -0.101 5.463 1.00 2.44 H new ATOM 1456 N SER B 301 2.306 -1.225 11.952 1.00 0.50 N ATOM 1457 CA SER B 301 1.739 -1.178 13.286 1.00 0.55 C ATOM 1458 C SER B 301 0.697 -2.278 13.428 1.00 0.59 C ATOM 1459 O SER B 301 0.596 -2.925 14.468 1.00 0.66 O ATOM 1460 CB SER B 301 1.112 0.195 13.519 1.00 0.56 C ATOM 1461 OG SER B 301 2.017 1.226 13.164 1.00 0.59 O ATOM 0 H SER B 301 2.077 -0.416 11.375 1.00 0.50 H new ATOM 0 HA SER B 301 2.518 -1.337 14.032 1.00 0.55 H new ATOM 0 HB2 SER B 301 0.199 0.288 12.931 1.00 0.56 H new ATOM 0 HB3 SER B 301 0.829 0.298 14.566 1.00 0.56 H new ATOM 0 HG SER B 301 2.148 1.227 12.193 1.00 0.59 H new ATOM 1467 N LYS B 302 -0.060 -2.499 12.358 1.00 0.58 N ATOM 1468 CA LYS B 302 -1.082 -3.533 12.345 1.00 0.65 C ATOM 1469 C LYS B 302 -0.410 -4.897 12.259 1.00 0.68 C ATOM 1470 O LYS B 302 -0.886 -5.871 12.834 1.00 0.76 O ATOM 1471 CB LYS B 302 -2.045 -3.335 11.166 1.00 0.66 C ATOM 1472 CG LYS B 302 -3.513 -3.537 11.527 1.00 1.21 C ATOM 1473 CD LYS B 302 -3.842 -4.999 11.796 1.00 1.38 C ATOM 1474 CE LYS B 302 -4.341 -5.206 13.221 1.00 2.10 C ATOM 1475 NZ LYS B 302 -4.285 -6.635 13.626 1.00 2.44 N ATOM 0 H LYS B 302 0.018 -1.973 11.488 1.00 0.58 H new ATOM 0 HA LYS B 302 -1.665 -3.471 13.264 1.00 0.65 H new ATOM 0 HB2 LYS B 302 -1.914 -2.329 10.768 1.00 0.66 H new ATOM 0 HB3 LYS B 302 -1.778 -4.030 10.370 1.00 0.66 H new ATOM 0 HG2 LYS B 302 -3.754 -2.944 12.409 1.00 1.21 H new ATOM 0 HG3 LYS B 302 -4.139 -3.169 10.715 1.00 1.21 H new ATOM 0 HD2 LYS B 302 -4.601 -5.338 11.091 1.00 1.38 H new ATOM 0 HD3 LYS B 302 -2.955 -5.610 11.628 1.00 1.38 H new ATOM 0 HE2 LYS B 302 -3.738 -4.610 13.907 1.00 2.10 H new ATOM 0 HE3 LYS B 302 -5.366 -4.846 13.303 1.00 2.10 H new ATOM 0 HZ1 LYS B 302 -5.090 -6.851 14.248 1.00 2.44 H new ATOM 0 HZ2 LYS B 302 -4.330 -7.238 12.780 1.00 2.44 H new ATOM 0 HZ3 LYS B 302 -3.396 -6.817 14.134 1.00 2.44 H new ATOM 1489 N LYS B 303 0.696 -4.961 11.527 1.00 0.62 N ATOM 1490 CA LYS B 303 1.454 -6.193 11.384 1.00 0.65 C ATOM 1491 C LYS B 303 2.065 -6.571 12.727 1.00 0.72 C ATOM 1492 O LYS B 303 2.172 -7.748 13.075 1.00 0.82 O ATOM 1493 CB LYS B 303 2.550 -6.029 10.332 1.00 0.58 C ATOM 1494 CG LYS B 303 2.740 -7.268 9.481 1.00 0.55 C ATOM 1495 CD LYS B 303 3.822 -8.166 10.050 1.00 0.66 C ATOM 1496 CE LYS B 303 4.073 -9.366 9.157 1.00 0.77 C ATOM 1497 NZ LYS B 303 4.453 -8.968 7.774 1.00 0.70 N ATOM 0 H LYS B 303 1.088 -4.167 11.021 1.00 0.62 H new ATOM 0 HA LYS B 303 0.783 -6.987 11.056 1.00 0.65 H new ATOM 0 HB2 LYS B 303 2.304 -5.185 9.687 1.00 0.58 H new ATOM 0 HB3 LYS B 303 3.490 -5.788 10.828 1.00 0.58 H new ATOM 0 HG2 LYS B 303 1.801 -7.819 9.422 1.00 0.55 H new ATOM 0 HG3 LYS B 303 3.003 -6.977 8.464 1.00 0.55 H new ATOM 0 HD2 LYS B 303 4.745 -7.598 10.166 1.00 0.66 H new ATOM 0 HD3 LYS B 303 3.530 -8.505 11.044 1.00 0.66 H new ATOM 0 HE2 LYS B 303 4.865 -9.978 9.588 1.00 0.77 H new ATOM 0 HE3 LYS B 303 3.176 -9.984 9.122 1.00 0.77 H new ATOM 0 HZ1 LYS B 303 5.022 -9.723 7.339 1.00 0.70 H new ATOM 0 HZ2 LYS B 303 3.594 -8.813 7.209 1.00 0.70 H new ATOM 0 HZ3 LYS B 303 5.010 -8.090 7.806 1.00 0.70 H new ATOM 1511 N ASN B 304 2.471 -5.549 13.471 1.00 0.69 N ATOM 1512 CA ASN B 304 3.036 -5.722 14.803 1.00 0.78 C ATOM 1513 C ASN B 304 1.924 -6.117 15.771 1.00 0.88 C ATOM 1514 O ASN B 304 2.111 -6.970 16.634 1.00 1.04 O ATOM 1515 CB ASN B 304 3.707 -4.414 15.254 1.00 0.78 C ATOM 1516 CG ASN B 304 4.009 -4.360 16.743 1.00 0.92 C ATOM 1517 OD1 ASN B 304 3.186 -3.905 17.540 1.00 1.13 O ATOM 1518 ND2 ASN B 304 5.197 -4.799 17.129 1.00 1.16 N ATOM 0 H ASN B 304 2.418 -4.577 13.167 1.00 0.69 H new ATOM 0 HA ASN B 304 3.790 -6.509 14.788 1.00 0.78 H new ATOM 0 HB2 ASN B 304 4.636 -4.284 14.699 1.00 0.78 H new ATOM 0 HB3 ASN B 304 3.060 -3.576 14.994 1.00 0.78 H new ATOM 0 HD21 ASN B 304 5.457 -4.767 18.115 1.00 1.16 H new ATOM 0 HD22 ASN B 304 5.852 -5.169 16.441 1.00 1.16 H new ATOM 1525 N SER B 305 0.766 -5.488 15.597 1.00 0.82 N ATOM 1526 CA SER B 305 -0.394 -5.762 16.428 1.00 0.93 C ATOM 1527 C SER B 305 -1.195 -6.932 15.847 1.00 1.13 C ATOM 1528 O SER B 305 -0.650 -8.058 15.801 1.00 1.39 O ATOM 1529 CB SER B 305 -1.274 -4.514 16.534 1.00 0.87 C ATOM 1530 OG SER B 305 -0.499 -3.365 16.846 1.00 1.00 O ATOM 1531 OXT SER B 305 -2.358 -6.728 15.434 1.00 1.26 O ATOM 0 H SER B 305 0.609 -4.779 14.880 1.00 0.82 H new ATOM 0 HA SER B 305 -0.055 -6.034 17.427 1.00 0.93 H new ATOM 0 HB2 SER B 305 -1.801 -4.356 15.593 1.00 0.87 H new ATOM 0 HB3 SER B 305 -2.032 -4.664 17.303 1.00 0.87 H new ATOM 0 HG SER B 305 -0.237 -2.912 16.017 1.00 1.00 H new TER 1537 SER B 305 HETATM 1538 CA CA A 181 -7.647 -2.517 -3.799 1.00 0.45 CA HETATM 1539 CA CA A 182 0.680 4.661 -11.936 1.00 0.54 CA