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=0.51,f=0.51) USER MOD Set 1.2: B 305 SER OG : rot 83:sc= 0.512 USER MOD Set 2.1: A 36 MET CE :methyl -163:sc= -1.41 (180deg=-1.18) USER MOD Set 2.2: A 51 MET CE :methyl -143:sc= -2.9! (180deg=-4.78!) USER MOD Set 3.1: A 1 ALA N :NH3+ -172:sc= 0.56 (180deg=0) USER MOD Set 3.2: A 3 GLN : amide:sc= -0.601 K(o=-0.041,f=-5.3!) USER MOD Single : A 5 THR OG1 : rot -85:sc= 0.131 USER MOD Single : A 8 GLN : amide:sc= 1.17 K(o=1.2,f=-0.1) USER MOD Single : A 13 LYS NZ :NH3+ -145:sc= -0.27! (180deg=-0.633) USER MOD Single : A 17 SER OG : rot 84:sc= 1.24 USER MOD Single : A 21 LYS NZ :NH3+ -128:sc= 1.44 (180deg=-0.122) USER MOD Single : A 26 THR OG1 : rot 35:sc= 1.13 USER MOD Single : A 28 THR OG1 : rot 80:sc= 1.24 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.141 USER MOD Single : A 30 LYS NZ :NH3+ -175:sc= 1.29 (180deg=1.22) USER MOD Single : A 34 THR OG1 : rot -84:sc= -0.401 USER MOD Single : A 38 SER OG : rot 79:sc= 0.826 USER MOD Single : A 41 GLN : amide:sc= 0.341 K(o=0.34,f=-5.2!) USER MOD Single : A 42 ASN : amide:sc= 0.0499 X(o=0.05,f=-0.2) USER MOD Single : A 44 THR OG1 : rot -85:sc= 1.24 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 ASN : amide:sc= 0.779 K(o=0.78,f=-0.24) USER MOD Single : A 60 ASN : amide:sc= 0.595 K(o=0.6,f=-5.2!) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl -147:sc= -3.84! (180deg=-5.77!) USER MOD Single : A 72 MET CE :methyl -178:sc= -0.94 (180deg=-0.949) USER MOD Single : A 75 LYS NZ :NH3+ -177:sc= 0.547 (180deg=0.532) USER MOD Single : A 76 MET CE :methyl 144:sc= -0.384 (180deg=-1.61!) 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= -2.18! K(o=-2.2!,f=-0.76) 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+ -127:sc= -0.765! (180deg=-2.23!) USER MOD Single : B 301 SER OG : rot 69:sc= 1.13 USER MOD Single : B 302 LYS NZ :NH3+ -144:sc= 1.28 (180deg=0.556) USER MOD Single : B 303 LYS NZ :NH3+ -150:sc= 1.28 (180deg=-0.387) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 24.585 -15.548 -5.930 1.00 2.58 N ATOM 2 CA ALA A 1 24.196 -14.172 -5.571 1.00 2.36 C ATOM 3 C ALA A 1 23.038 -14.199 -4.589 1.00 2.09 C ATOM 4 O ALA A 1 22.466 -15.257 -4.322 1.00 2.15 O ATOM 5 CB ALA A 1 23.816 -13.384 -6.818 1.00 2.57 C ATOM 0 H1 ALA A 1 25.459 -15.526 -6.492 1.00 2.58 H new ATOM 0 H2 ALA A 1 24.744 -16.101 -5.064 1.00 2.58 H new ATOM 0 H3 ALA A 1 23.826 -15.989 -6.487 1.00 2.58 H new ATOM 0 HA ALA A 1 25.046 -13.679 -5.099 1.00 2.36 H new ATOM 0 HB1 ALA A 1 23.531 -12.370 -6.535 1.00 2.57 H new ATOM 0 HB2 ALA A 1 24.667 -13.346 -7.498 1.00 2.57 H new ATOM 0 HB3 ALA A 1 22.977 -13.871 -7.315 1.00 2.57 H new ATOM 13 N ASP A 2 22.679 -13.041 -4.060 1.00 1.93 N ATOM 14 CA ASP A 2 21.586 -12.960 -3.104 1.00 1.85 C ATOM 15 C ASP A 2 20.238 -12.905 -3.815 1.00 1.77 C ATOM 16 O ASP A 2 19.499 -11.924 -3.711 1.00 2.06 O ATOM 17 CB ASP A 2 21.754 -11.745 -2.193 1.00 2.06 C ATOM 18 CG ASP A 2 21.191 -12.001 -0.812 1.00 2.70 C ATOM 19 OD1 ASP A 2 20.660 -13.112 -0.572 1.00 3.47 O ATOM 20 OD2 ASP A 2 21.285 -11.097 0.048 1.00 2.98 O ATOM 0 H ASP A 2 23.125 -12.149 -4.274 1.00 1.93 H new ATOM 0 HA ASP A 2 21.612 -13.861 -2.491 1.00 1.85 H new ATOM 0 HB2 ASP A 2 22.811 -11.492 -2.114 1.00 2.06 H new ATOM 0 HB3 ASP A 2 21.253 -10.885 -2.637 1.00 2.06 H new ATOM 25 N GLN A 3 19.933 -13.963 -4.552 1.00 1.60 N ATOM 26 CA GLN A 3 18.673 -14.053 -5.282 1.00 1.62 C ATOM 27 C GLN A 3 17.557 -14.496 -4.351 1.00 1.52 C ATOM 28 O GLN A 3 16.431 -14.014 -4.439 1.00 1.55 O ATOM 29 CB GLN A 3 18.779 -15.048 -6.440 1.00 1.75 C ATOM 30 CG GLN A 3 20.004 -14.859 -7.322 1.00 2.06 C ATOM 31 CD GLN A 3 20.849 -16.115 -7.418 1.00 2.43 C ATOM 32 OE1 GLN A 3 22.076 -16.047 -7.432 1.00 2.68 O ATOM 33 NE2 GLN A 3 20.201 -17.267 -7.501 1.00 2.95 N ATOM 0 H GLN A 3 20.541 -14.774 -4.662 1.00 1.60 H new ATOM 0 HA GLN A 3 18.450 -13.064 -5.683 1.00 1.62 H new ATOM 0 HB2 GLN A 3 18.792 -16.059 -6.034 1.00 1.75 H new ATOM 0 HB3 GLN A 3 17.885 -14.964 -7.058 1.00 1.75 H new ATOM 0 HG2 GLN A 3 19.686 -14.561 -8.321 1.00 2.06 H new ATOM 0 HG3 GLN A 3 20.611 -14.046 -6.925 1.00 2.06 H new ATOM 0 HE21 GLN A 3 19.181 -17.281 -7.486 1.00 2.95 H new ATOM 0 HE22 GLN A 3 20.722 -18.141 -7.580 1.00 2.95 H new ATOM 42 N LEU A 4 17.877 -15.418 -3.460 1.00 1.47 N ATOM 43 CA LEU A 4 16.905 -15.943 -2.517 1.00 1.42 C ATOM 44 C LEU A 4 16.794 -15.043 -1.293 1.00 1.35 C ATOM 45 O LEU A 4 17.080 -15.460 -0.168 1.00 1.37 O ATOM 46 CB LEU A 4 17.299 -17.358 -2.087 1.00 1.54 C ATOM 47 CG LEU A 4 17.286 -18.403 -3.200 1.00 1.78 C ATOM 48 CD1 LEU A 4 17.808 -19.725 -2.683 1.00 1.97 C ATOM 49 CD2 LEU A 4 15.886 -18.578 -3.750 1.00 1.88 C ATOM 0 H LEU A 4 18.810 -15.821 -3.370 1.00 1.47 H new ATOM 0 HA LEU A 4 15.934 -15.975 -3.012 1.00 1.42 H new ATOM 0 HB2 LEU A 4 18.299 -17.324 -1.654 1.00 1.54 H new ATOM 0 HB3 LEU A 4 16.621 -17.683 -1.298 1.00 1.54 H new ATOM 0 HG LEU A 4 17.935 -18.056 -4.004 1.00 1.78 H new ATOM 0 HD11 LEU A 4 17.793 -20.461 -3.487 1.00 1.97 H new ATOM 0 HD12 LEU A 4 18.830 -19.598 -2.326 1.00 1.97 H new ATOM 0 HD13 LEU A 4 17.177 -20.070 -1.864 1.00 1.97 H new ATOM 0 HD21 LEU A 4 15.897 -19.327 -4.542 1.00 1.88 H new ATOM 0 HD22 LEU A 4 15.220 -18.904 -2.952 1.00 1.88 H new ATOM 0 HD23 LEU A 4 15.532 -17.629 -4.153 1.00 1.88 H new ATOM 61 N THR A 5 16.403 -13.801 -1.532 1.00 1.33 N ATOM 62 CA THR A 5 16.247 -12.828 -0.465 1.00 1.31 C ATOM 63 C THR A 5 14.904 -13.007 0.239 1.00 1.19 C ATOM 64 O THR A 5 14.834 -13.620 1.308 1.00 1.18 O ATOM 65 CB THR A 5 16.377 -11.401 -1.033 1.00 1.42 C ATOM 66 OG1 THR A 5 16.511 -11.485 -2.462 1.00 1.68 O ATOM 67 CG2 THR A 5 17.597 -10.702 -0.452 1.00 1.63 C ATOM 0 H THR A 5 16.187 -13.443 -2.462 1.00 1.33 H new ATOM 0 HA THR A 5 17.035 -12.987 0.271 1.00 1.31 H new ATOM 0 HB THR A 5 15.490 -10.827 -0.766 1.00 1.42 H new ATOM 0 HG1 THR A 5 17.452 -11.631 -2.694 1.00 1.68 H new ATOM 0 HG21 THR A 5 17.671 -9.696 -0.865 1.00 1.63 H new ATOM 0 HG22 THR A 5 17.500 -10.643 0.632 1.00 1.63 H new ATOM 0 HG23 THR A 5 18.495 -11.266 -0.706 1.00 1.63 H new ATOM 75 N GLU A 6 13.844 -12.489 -0.384 1.00 1.16 N ATOM 76 CA GLU A 6 12.487 -12.580 0.148 1.00 1.10 C ATOM 77 C GLU A 6 12.438 -12.152 1.613 1.00 1.10 C ATOM 78 O GLU A 6 12.085 -12.938 2.494 1.00 1.15 O ATOM 79 CB GLU A 6 11.933 -13.996 -0.015 1.00 1.08 C ATOM 80 CG GLU A 6 11.198 -14.203 -1.330 1.00 1.08 C ATOM 81 CD GLU A 6 9.723 -13.867 -1.234 1.00 1.03 C ATOM 82 OE1 GLU A 6 9.382 -12.680 -1.049 1.00 1.31 O ATOM 83 OE2 GLU A 6 8.890 -14.793 -1.336 1.00 1.44 O ATOM 0 H GLU A 6 13.905 -11.994 -1.274 1.00 1.16 H new ATOM 0 HA GLU A 6 11.860 -11.896 -0.425 1.00 1.10 H new ATOM 0 HB2 GLU A 6 12.754 -14.710 0.052 1.00 1.08 H new ATOM 0 HB3 GLU A 6 11.255 -14.211 0.811 1.00 1.08 H new ATOM 0 HG2 GLU A 6 11.658 -13.584 -2.100 1.00 1.08 H new ATOM 0 HG3 GLU A 6 11.311 -15.240 -1.645 1.00 1.08 H new ATOM 90 N GLU A 7 12.801 -10.903 1.858 1.00 1.09 N ATOM 91 CA GLU A 7 12.808 -10.343 3.207 1.00 1.13 C ATOM 92 C GLU A 7 12.068 -9.009 3.212 1.00 1.08 C ATOM 93 O GLU A 7 11.238 -8.743 4.083 1.00 1.13 O ATOM 94 CB GLU A 7 14.248 -10.184 3.723 1.00 1.25 C ATOM 95 CG GLU A 7 15.301 -10.229 2.625 1.00 1.28 C ATOM 96 CD GLU A 7 15.245 -9.042 1.685 1.00 1.24 C ATOM 97 OE1 GLU A 7 14.407 -9.049 0.758 1.00 1.16 O ATOM 98 OE2 GLU A 7 16.021 -8.087 1.891 1.00 1.35 O ATOM 0 H GLU A 7 13.098 -10.249 1.134 1.00 1.09 H new ATOM 0 HA GLU A 7 12.294 -11.028 3.881 1.00 1.13 H new ATOM 0 HB2 GLU A 7 14.331 -9.236 4.255 1.00 1.25 H new ATOM 0 HB3 GLU A 7 14.455 -10.974 4.445 1.00 1.25 H new ATOM 0 HG2 GLU A 7 16.289 -10.274 3.082 1.00 1.28 H new ATOM 0 HG3 GLU A 7 15.174 -11.145 2.048 1.00 1.28 H new ATOM 105 N GLN A 8 12.356 -8.188 2.214 1.00 1.08 N ATOM 106 CA GLN A 8 11.708 -6.892 2.067 1.00 1.06 C ATOM 107 C GLN A 8 10.423 -7.077 1.279 1.00 0.96 C ATOM 108 O GLN A 8 9.412 -6.427 1.547 1.00 0.95 O ATOM 109 CB GLN A 8 12.605 -5.894 1.328 1.00 1.17 C ATOM 110 CG GLN A 8 13.787 -5.407 2.145 1.00 1.31 C ATOM 111 CD GLN A 8 14.868 -4.784 1.282 1.00 1.48 C ATOM 112 OE1 GLN A 8 14.858 -3.585 1.008 1.00 1.56 O ATOM 113 NE2 GLN A 8 15.802 -5.605 0.851 1.00 1.61 N ATOM 0 H GLN A 8 13.040 -8.398 1.487 1.00 1.08 H new ATOM 0 HA GLN A 8 11.504 -6.494 3.061 1.00 1.06 H new ATOM 0 HB2 GLN A 8 12.975 -6.360 0.415 1.00 1.17 H new ATOM 0 HB3 GLN A 8 12.005 -5.035 1.027 1.00 1.17 H new ATOM 0 HG2 GLN A 8 13.443 -4.676 2.876 1.00 1.31 H new ATOM 0 HG3 GLN A 8 14.208 -6.243 2.704 1.00 1.31 H new ATOM 0 HE21 GLN A 8 15.769 -6.593 1.104 1.00 1.61 H new ATOM 0 HE22 GLN A 8 16.559 -5.254 0.264 1.00 1.61 H new ATOM 122 N ILE A 9 10.487 -7.969 0.295 1.00 0.93 N ATOM 123 CA ILE A 9 9.347 -8.276 -0.563 1.00 0.90 C ATOM 124 C ILE A 9 8.168 -8.782 0.252 1.00 0.82 C ATOM 125 O ILE A 9 7.016 -8.531 -0.087 1.00 0.80 O ATOM 126 CB ILE A 9 9.710 -9.317 -1.644 1.00 0.96 C ATOM 127 CG1 ILE A 9 11.159 -9.123 -2.108 1.00 1.15 C ATOM 128 CG2 ILE A 9 8.747 -9.199 -2.819 1.00 1.14 C ATOM 129 CD1 ILE A 9 11.580 -10.075 -3.204 1.00 1.23 C ATOM 0 H ILE A 9 11.329 -8.499 0.070 1.00 0.93 H new ATOM 0 HA ILE A 9 9.066 -7.346 -1.058 1.00 0.90 H new ATOM 0 HB ILE A 9 9.622 -10.317 -1.219 1.00 0.96 H new ATOM 0 HG12 ILE A 9 11.284 -8.099 -2.461 1.00 1.15 H new ATOM 0 HG13 ILE A 9 11.824 -9.249 -1.254 1.00 1.15 H new ATOM 0 HG21 ILE A 9 9.008 -9.936 -3.579 1.00 1.14 H new ATOM 0 HG22 ILE A 9 7.729 -9.378 -2.474 1.00 1.14 H new ATOM 0 HG23 ILE A 9 8.815 -8.198 -3.246 1.00 1.14 H new ATOM 0 HD11 ILE A 9 12.616 -9.877 -3.480 1.00 1.23 H new ATOM 0 HD12 ILE A 9 11.488 -11.102 -2.849 1.00 1.23 H new ATOM 0 HD13 ILE A 9 10.940 -9.934 -4.075 1.00 1.23 H new ATOM 141 N ALA A 10 8.465 -9.473 1.355 1.00 0.85 N ATOM 142 CA ALA A 10 7.431 -9.988 2.236 1.00 0.85 C ATOM 143 C ALA A 10 6.649 -8.824 2.832 1.00 0.75 C ATOM 144 O ALA A 10 5.428 -8.885 2.983 1.00 0.79 O ATOM 145 CB ALA A 10 8.044 -10.835 3.346 1.00 0.98 C ATOM 0 H ALA A 10 9.417 -9.686 1.654 1.00 0.85 H new ATOM 0 HA ALA A 10 6.756 -10.621 1.660 1.00 0.85 H new ATOM 0 HB1 ALA A 10 7.253 -11.211 3.995 1.00 0.98 H new ATOM 0 HB2 ALA A 10 8.584 -11.674 2.907 1.00 0.98 H new ATOM 0 HB3 ALA A 10 8.734 -10.226 3.930 1.00 0.98 H new ATOM 151 N GLU A 11 7.372 -7.753 3.141 1.00 0.69 N ATOM 152 CA GLU A 11 6.788 -6.547 3.703 1.00 0.64 C ATOM 153 C GLU A 11 5.976 -5.805 2.640 1.00 0.63 C ATOM 154 O GLU A 11 4.962 -5.178 2.943 1.00 0.64 O ATOM 155 CB GLU A 11 7.905 -5.652 4.265 1.00 0.69 C ATOM 156 CG GLU A 11 7.711 -5.261 5.719 1.00 0.59 C ATOM 157 CD GLU A 11 6.450 -4.462 5.929 1.00 0.65 C ATOM 158 OE1 GLU A 11 6.393 -3.297 5.476 1.00 1.18 O ATOM 159 OE2 GLU A 11 5.495 -4.997 6.526 1.00 0.81 O ATOM 0 H GLU A 11 8.382 -7.700 3.007 1.00 0.69 H new ATOM 0 HA GLU A 11 6.111 -6.816 4.514 1.00 0.64 H new ATOM 0 HB2 GLU A 11 8.858 -6.171 4.163 1.00 0.69 H new ATOM 0 HB3 GLU A 11 7.969 -4.747 3.662 1.00 0.69 H new ATOM 0 HG2 GLU A 11 7.676 -6.160 6.334 1.00 0.59 H new ATOM 0 HG3 GLU A 11 8.569 -4.678 6.055 1.00 0.59 H new ATOM 166 N PHE A 12 6.421 -5.904 1.389 1.00 0.64 N ATOM 167 CA PHE A 12 5.733 -5.251 0.282 1.00 0.67 C ATOM 168 C PHE A 12 4.407 -5.948 -0.007 1.00 0.66 C ATOM 169 O PHE A 12 3.409 -5.299 -0.333 1.00 0.68 O ATOM 170 CB PHE A 12 6.608 -5.238 -0.976 1.00 0.75 C ATOM 171 CG PHE A 12 7.890 -4.469 -0.824 1.00 0.76 C ATOM 172 CD1 PHE A 12 8.018 -3.479 0.144 1.00 0.98 C ATOM 173 CD2 PHE A 12 8.976 -4.736 -1.646 1.00 1.23 C ATOM 174 CE1 PHE A 12 9.200 -2.774 0.282 1.00 1.03 C ATOM 175 CE2 PHE A 12 10.162 -4.030 -1.511 1.00 1.27 C ATOM 176 CZ PHE A 12 10.273 -3.051 -0.544 1.00 0.88 C ATOM 0 H PHE A 12 7.253 -6.429 1.119 1.00 0.64 H new ATOM 0 HA PHE A 12 5.533 -4.219 0.571 1.00 0.67 H new ATOM 0 HB2 PHE A 12 6.844 -6.266 -1.252 1.00 0.75 H new ATOM 0 HB3 PHE A 12 6.036 -4.810 -1.799 1.00 0.75 H new ATOM 0 HD1 PHE A 12 7.185 -3.258 0.795 1.00 0.98 H new ATOM 0 HD2 PHE A 12 8.896 -5.504 -2.401 1.00 1.23 H new ATOM 0 HE1 PHE A 12 9.285 -2.006 1.036 1.00 1.03 H new ATOM 0 HE2 PHE A 12 10.997 -4.246 -2.161 1.00 1.27 H new ATOM 0 HZ PHE A 12 11.197 -2.502 -0.433 1.00 0.88 H new ATOM 186 N LYS A 13 4.398 -7.271 0.117 1.00 0.65 N ATOM 187 CA LYS A 13 3.184 -8.050 -0.112 1.00 0.66 C ATOM 188 C LYS A 13 2.137 -7.697 0.925 1.00 0.61 C ATOM 189 O LYS A 13 0.927 -7.686 0.650 1.00 0.66 O ATOM 190 CB LYS A 13 3.476 -9.551 -0.044 1.00 0.71 C ATOM 191 CG LYS A 13 4.489 -10.028 -1.061 1.00 0.80 C ATOM 192 CD LYS A 13 4.988 -11.424 -0.718 1.00 0.86 C ATOM 193 CE LYS A 13 6.188 -11.810 -1.557 1.00 0.97 C ATOM 194 NZ LYS A 13 6.651 -13.185 -1.252 1.00 0.99 N ATOM 0 H LYS A 13 5.214 -7.826 0.374 1.00 0.65 H new ATOM 0 HA LYS A 13 2.812 -7.809 -1.108 1.00 0.66 H new ATOM 0 HB2 LYS A 13 3.837 -9.795 0.955 1.00 0.71 H new ATOM 0 HB3 LYS A 13 2.545 -10.099 -0.190 1.00 0.71 H new ATOM 0 HG2 LYS A 13 4.039 -10.032 -2.054 1.00 0.80 H new ATOM 0 HG3 LYS A 13 5.330 -9.335 -1.095 1.00 0.80 H new ATOM 0 HD2 LYS A 13 5.253 -11.467 0.338 1.00 0.86 H new ATOM 0 HD3 LYS A 13 4.187 -12.146 -0.875 1.00 0.86 H new ATOM 0 HE2 LYS A 13 5.931 -11.739 -2.614 1.00 0.97 H new ATOM 0 HE3 LYS A 13 6.999 -11.105 -1.378 1.00 0.97 H new ATOM 0 HZ1 LYS A 13 7.687 -13.227 -1.329 1.00 0.99 H new ATOM 0 HZ2 LYS A 13 6.364 -13.441 -0.286 1.00 0.99 H new ATOM 0 HZ3 LYS A 13 6.226 -13.852 -1.928 1.00 0.99 H new ATOM 208 N GLU A 14 2.609 -7.377 2.130 1.00 0.57 N ATOM 209 CA GLU A 14 1.733 -7.016 3.221 1.00 0.54 C ATOM 210 C GLU A 14 0.903 -5.797 2.860 1.00 0.50 C ATOM 211 O GLU A 14 -0.241 -5.660 3.285 1.00 0.49 O ATOM 212 CB GLU A 14 2.534 -6.717 4.480 1.00 0.52 C ATOM 213 CG GLU A 14 1.869 -7.199 5.746 1.00 0.54 C ATOM 214 CD GLU A 14 1.530 -8.673 5.723 1.00 0.62 C ATOM 215 OE1 GLU A 14 0.566 -9.056 5.029 1.00 1.28 O ATOM 216 OE2 GLU A 14 2.231 -9.455 6.393 1.00 1.29 O ATOM 0 H GLU A 14 3.601 -7.363 2.366 1.00 0.57 H new ATOM 0 HA GLU A 14 1.072 -7.862 3.408 1.00 0.54 H new ATOM 0 HB2 GLU A 14 3.516 -7.182 4.395 1.00 0.52 H new ATOM 0 HB3 GLU A 14 2.696 -5.641 4.551 1.00 0.52 H new ATOM 0 HG2 GLU A 14 2.526 -6.998 6.592 1.00 0.54 H new ATOM 0 HG3 GLU A 14 0.956 -6.626 5.909 1.00 0.54 H new ATOM 223 N ALA A 15 1.481 -4.913 2.056 1.00 0.51 N ATOM 224 CA ALA A 15 0.799 -3.701 1.649 1.00 0.52 C ATOM 225 C ALA A 15 -0.429 -4.029 0.810 1.00 0.50 C ATOM 226 O ALA A 15 -1.507 -3.518 1.062 1.00 0.51 O ATOM 227 CB ALA A 15 1.751 -2.777 0.896 1.00 0.58 C ATOM 0 H ALA A 15 2.421 -5.017 1.675 1.00 0.51 H new ATOM 0 HA ALA A 15 0.461 -3.178 2.544 1.00 0.52 H new ATOM 0 HB1 ALA A 15 1.221 -1.872 0.599 1.00 0.58 H new ATOM 0 HB2 ALA A 15 2.587 -2.511 1.542 1.00 0.58 H new ATOM 0 HB3 ALA A 15 2.126 -3.286 0.008 1.00 0.58 H new ATOM 233 N PHE A 16 -0.273 -4.931 -0.143 1.00 0.50 N ATOM 234 CA PHE A 16 -1.380 -5.313 -1.019 1.00 0.53 C ATOM 235 C PHE A 16 -2.290 -6.352 -0.364 1.00 0.56 C ATOM 236 O PHE A 16 -3.149 -6.945 -1.023 1.00 0.74 O ATOM 237 CB PHE A 16 -0.854 -5.831 -2.358 1.00 0.60 C ATOM 238 CG PHE A 16 -0.043 -4.817 -3.118 1.00 0.64 C ATOM 239 CD1 PHE A 16 -0.464 -3.495 -3.219 1.00 0.78 C ATOM 240 CD2 PHE A 16 1.134 -5.189 -3.736 1.00 0.87 C ATOM 241 CE1 PHE A 16 0.287 -2.563 -3.919 1.00 0.90 C ATOM 242 CE2 PHE A 16 1.888 -4.265 -4.437 1.00 0.98 C ATOM 243 CZ PHE A 16 1.462 -2.952 -4.530 1.00 0.91 C ATOM 0 H PHE A 16 0.605 -5.415 -0.334 1.00 0.50 H new ATOM 0 HA PHE A 16 -1.977 -4.419 -1.198 1.00 0.53 H new ATOM 0 HB2 PHE A 16 -0.242 -6.715 -2.181 1.00 0.60 H new ATOM 0 HB3 PHE A 16 -1.697 -6.145 -2.973 1.00 0.60 H new ATOM 0 HD1 PHE A 16 -1.386 -3.191 -2.747 1.00 0.78 H new ATOM 0 HD2 PHE A 16 1.470 -6.213 -3.671 1.00 0.87 H new ATOM 0 HE1 PHE A 16 -0.046 -1.538 -3.986 1.00 0.90 H new ATOM 0 HE2 PHE A 16 2.809 -4.569 -4.912 1.00 0.98 H new ATOM 0 HZ PHE A 16 2.049 -2.232 -5.081 1.00 0.91 H new ATOM 253 N SER A 17 -2.111 -6.557 0.935 1.00 0.49 N ATOM 254 CA SER A 17 -2.917 -7.513 1.680 1.00 0.54 C ATOM 255 C SER A 17 -3.625 -6.835 2.858 1.00 0.51 C ATOM 256 O SER A 17 -4.807 -7.059 3.093 1.00 0.59 O ATOM 257 CB SER A 17 -2.040 -8.668 2.175 1.00 0.62 C ATOM 258 OG SER A 17 -1.271 -9.213 1.109 1.00 0.73 O ATOM 0 H SER A 17 -1.411 -6.071 1.496 1.00 0.49 H new ATOM 0 HA SER A 17 -3.681 -7.911 1.013 1.00 0.54 H new ATOM 0 HB2 SER A 17 -1.376 -8.314 2.964 1.00 0.62 H new ATOM 0 HB3 SER A 17 -2.667 -9.445 2.611 1.00 0.62 H new ATOM 0 HG SER A 17 -0.459 -8.679 0.985 1.00 0.73 H new ATOM 264 N LEU A 18 -2.904 -5.994 3.594 1.00 0.44 N ATOM 265 CA LEU A 18 -3.483 -5.312 4.743 1.00 0.42 C ATOM 266 C LEU A 18 -4.126 -3.985 4.340 1.00 0.41 C ATOM 267 O LEU A 18 -5.097 -3.543 4.953 1.00 0.46 O ATOM 268 CB LEU A 18 -2.419 -5.046 5.810 1.00 0.42 C ATOM 269 CG LEU A 18 -1.752 -6.277 6.422 1.00 0.45 C ATOM 270 CD1 LEU A 18 -0.713 -5.846 7.447 1.00 0.47 C ATOM 271 CD2 LEU A 18 -2.788 -7.183 7.060 1.00 0.55 C ATOM 0 H LEU A 18 -1.925 -5.771 3.416 1.00 0.44 H new ATOM 0 HA LEU A 18 -4.252 -5.968 5.150 1.00 0.42 H new ATOM 0 HB2 LEU A 18 -1.643 -4.419 5.371 1.00 0.42 H new ATOM 0 HB3 LEU A 18 -2.877 -4.470 6.614 1.00 0.42 H new ATOM 0 HG LEU A 18 -1.254 -6.838 5.631 1.00 0.45 H new ATOM 0 HD11 LEU A 18 -0.241 -6.728 7.880 1.00 0.47 H new ATOM 0 HD12 LEU A 18 0.044 -5.231 6.961 1.00 0.47 H new ATOM 0 HD13 LEU A 18 -1.197 -5.270 8.236 1.00 0.47 H new ATOM 0 HD21 LEU A 18 -2.294 -8.054 7.490 1.00 0.55 H new ATOM 0 HD22 LEU A 18 -3.313 -6.639 7.845 1.00 0.55 H new ATOM 0 HD23 LEU A 18 -3.502 -7.508 6.304 1.00 0.55 H new ATOM 283 N PHE A 19 -3.566 -3.341 3.324 1.00 0.43 N ATOM 284 CA PHE A 19 -4.076 -2.062 2.854 1.00 0.47 C ATOM 285 C PHE A 19 -5.327 -2.266 2.012 1.00 0.48 C ATOM 286 O PHE A 19 -6.389 -1.726 2.318 1.00 0.61 O ATOM 287 CB PHE A 19 -2.999 -1.343 2.039 1.00 0.52 C ATOM 288 CG PHE A 19 -3.086 0.149 2.083 1.00 0.39 C ATOM 289 CD1 PHE A 19 -3.245 0.815 3.285 1.00 0.58 C ATOM 290 CD2 PHE A 19 -3.005 0.887 0.915 1.00 0.50 C ATOM 291 CE1 PHE A 19 -3.318 2.190 3.323 1.00 0.75 C ATOM 292 CE2 PHE A 19 -3.077 2.264 0.945 1.00 0.70 C ATOM 293 CZ PHE A 19 -3.235 2.918 2.149 1.00 0.79 C ATOM 0 H PHE A 19 -2.756 -3.686 2.809 1.00 0.43 H new ATOM 0 HA PHE A 19 -4.338 -1.448 3.716 1.00 0.47 H new ATOM 0 HB2 PHE A 19 -2.019 -1.649 2.405 1.00 0.52 H new ATOM 0 HB3 PHE A 19 -3.068 -1.669 1.001 1.00 0.52 H new ATOM 0 HD1 PHE A 19 -3.313 0.251 4.203 1.00 0.58 H new ATOM 0 HD2 PHE A 19 -2.884 0.379 -0.030 1.00 0.50 H new ATOM 0 HE1 PHE A 19 -3.440 2.699 4.268 1.00 0.75 H new ATOM 0 HE2 PHE A 19 -3.010 2.829 0.027 1.00 0.70 H new ATOM 0 HZ PHE A 19 -3.294 3.996 2.176 1.00 0.79 H new ATOM 303 N ASP A 20 -5.195 -3.074 0.967 1.00 0.44 N ATOM 304 CA ASP A 20 -6.306 -3.359 0.065 1.00 0.45 C ATOM 305 C ASP A 20 -7.150 -4.515 0.595 1.00 0.51 C ATOM 306 O ASP A 20 -6.623 -5.489 1.123 1.00 0.58 O ATOM 307 CB ASP A 20 -5.784 -3.692 -1.332 1.00 0.45 C ATOM 308 CG ASP A 20 -6.901 -4.073 -2.284 1.00 0.46 C ATOM 309 OD1 ASP A 20 -7.918 -3.339 -2.348 1.00 0.58 O ATOM 310 OD2 ASP A 20 -6.786 -5.106 -2.968 1.00 0.59 O ATOM 0 H ASP A 20 -4.325 -3.546 0.722 1.00 0.44 H new ATOM 0 HA ASP A 20 -6.933 -2.469 0.007 1.00 0.45 H new ATOM 0 HB2 ASP A 20 -5.246 -2.833 -1.731 1.00 0.45 H new ATOM 0 HB3 ASP A 20 -5.070 -4.513 -1.265 1.00 0.45 H new ATOM 315 N LYS A 21 -8.465 -4.387 0.453 1.00 0.58 N ATOM 316 CA LYS A 21 -9.391 -5.419 0.916 1.00 0.71 C ATOM 317 C LYS A 21 -10.212 -5.985 -0.238 1.00 0.68 C ATOM 318 O LYS A 21 -11.048 -6.868 -0.044 1.00 0.86 O ATOM 319 CB LYS A 21 -10.343 -4.869 1.981 1.00 0.82 C ATOM 320 CG LYS A 21 -9.733 -4.776 3.367 1.00 1.05 C ATOM 321 CD LYS A 21 -9.012 -3.452 3.577 1.00 1.10 C ATOM 322 CE LYS A 21 -8.238 -3.454 4.880 1.00 1.41 C ATOM 323 NZ LYS A 21 -7.452 -2.209 5.052 1.00 1.57 N ATOM 0 H LYS A 21 -8.915 -3.580 0.021 1.00 0.58 H new ATOM 0 HA LYS A 21 -8.786 -6.216 1.349 1.00 0.71 H new ATOM 0 HB2 LYS A 21 -10.679 -3.878 1.676 1.00 0.82 H new ATOM 0 HB3 LYS A 21 -11.227 -5.505 2.026 1.00 0.82 H new ATOM 0 HG2 LYS A 21 -10.516 -4.887 4.117 1.00 1.05 H new ATOM 0 HG3 LYS A 21 -9.033 -5.599 3.512 1.00 1.05 H new ATOM 0 HD2 LYS A 21 -8.331 -3.269 2.746 1.00 1.10 H new ATOM 0 HD3 LYS A 21 -9.736 -2.637 3.581 1.00 1.10 H new ATOM 0 HE2 LYS A 21 -8.930 -3.566 5.714 1.00 1.41 H new ATOM 0 HE3 LYS A 21 -7.568 -4.314 4.904 1.00 1.41 H new ATOM 0 HZ1 LYS A 21 -6.463 -2.450 5.266 1.00 1.57 H new ATOM 0 HZ2 LYS A 21 -7.491 -1.650 4.176 1.00 1.57 H new ATOM 0 HZ3 LYS A 21 -7.850 -1.653 5.835 1.00 1.57 H new ATOM 337 N ASP A 22 -9.975 -5.474 -1.441 1.00 0.58 N ATOM 338 CA ASP A 22 -10.711 -5.934 -2.618 1.00 0.61 C ATOM 339 C ASP A 22 -10.023 -7.142 -3.221 1.00 0.69 C ATOM 340 O ASP A 22 -10.665 -8.130 -3.568 1.00 0.82 O ATOM 341 CB ASP A 22 -10.804 -4.841 -3.695 1.00 0.55 C ATOM 342 CG ASP A 22 -11.198 -3.481 -3.158 1.00 0.52 C ATOM 343 OD1 ASP A 22 -12.379 -3.289 -2.809 1.00 0.60 O ATOM 344 OD2 ASP A 22 -10.320 -2.586 -3.103 1.00 0.55 O ATOM 0 H ASP A 22 -9.285 -4.747 -1.629 1.00 0.58 H new ATOM 0 HA ASP A 22 -11.718 -6.190 -2.288 1.00 0.61 H new ATOM 0 HB2 ASP A 22 -9.840 -4.757 -4.197 1.00 0.55 H new ATOM 0 HB3 ASP A 22 -11.530 -5.148 -4.448 1.00 0.55 H new ATOM 349 N GLY A 23 -8.708 -7.054 -3.339 1.00 0.65 N ATOM 350 CA GLY A 23 -7.942 -8.129 -3.924 1.00 0.73 C ATOM 351 C GLY A 23 -7.214 -7.652 -5.157 1.00 0.71 C ATOM 352 O GLY A 23 -6.397 -8.372 -5.738 1.00 0.87 O ATOM 0 H GLY A 23 -8.156 -6.251 -3.037 1.00 0.65 H new ATOM 0 HA2 GLY A 23 -7.225 -8.510 -3.196 1.00 0.73 H new ATOM 0 HA3 GLY A 23 -8.604 -8.956 -4.183 1.00 0.73 H new ATOM 356 N ASP A 24 -7.520 -6.414 -5.538 1.00 0.59 N ATOM 357 CA ASP A 24 -6.905 -5.772 -6.689 1.00 0.60 C ATOM 358 C ASP A 24 -5.407 -5.651 -6.476 1.00 0.59 C ATOM 359 O ASP A 24 -4.625 -5.786 -7.416 1.00 0.74 O ATOM 360 CB ASP A 24 -7.532 -4.388 -6.950 1.00 0.58 C ATOM 361 CG ASP A 24 -7.477 -3.450 -5.748 1.00 0.48 C ATOM 362 OD1 ASP A 24 -6.398 -2.915 -5.453 1.00 0.74 O ATOM 363 OD2 ASP A 24 -8.527 -3.222 -5.099 1.00 0.61 O ATOM 0 H ASP A 24 -8.202 -5.830 -5.055 1.00 0.59 H new ATOM 0 HA ASP A 24 -7.086 -6.390 -7.568 1.00 0.60 H new ATOM 0 HB2 ASP A 24 -7.018 -3.919 -7.789 1.00 0.58 H new ATOM 0 HB3 ASP A 24 -8.572 -4.521 -7.248 1.00 0.58 H new ATOM 368 N GLY A 25 -5.013 -5.454 -5.225 1.00 0.54 N ATOM 369 CA GLY A 25 -3.608 -5.330 -4.896 1.00 0.64 C ATOM 370 C GLY A 25 -2.968 -4.106 -5.513 1.00 0.69 C ATOM 371 O GLY A 25 -1.843 -4.164 -6.014 1.00 1.30 O ATOM 0 H GLY A 25 -5.646 -5.378 -4.429 1.00 0.54 H new ATOM 0 HA2 GLY A 25 -3.496 -5.286 -3.813 1.00 0.64 H new ATOM 0 HA3 GLY A 25 -3.080 -6.221 -5.236 1.00 0.64 H new ATOM 375 N THR A 26 -3.686 -2.999 -5.471 1.00 0.46 N ATOM 376 CA THR A 26 -3.201 -1.749 -6.018 1.00 0.48 C ATOM 377 C THR A 26 -3.620 -0.580 -5.133 1.00 0.46 C ATOM 378 O THR A 26 -4.680 -0.615 -4.519 1.00 0.63 O ATOM 379 CB THR A 26 -3.741 -1.528 -7.443 1.00 0.53 C ATOM 380 OG1 THR A 26 -5.066 -2.075 -7.566 1.00 0.66 O ATOM 381 CG2 THR A 26 -2.840 -2.170 -8.481 1.00 0.66 C ATOM 0 H THR A 26 -4.617 -2.942 -5.059 1.00 0.46 H new ATOM 0 HA THR A 26 -2.113 -1.802 -6.055 1.00 0.48 H new ATOM 0 HB THR A 26 -3.768 -0.453 -7.620 1.00 0.53 H new ATOM 0 HG1 THR A 26 -5.546 -1.963 -6.719 1.00 0.66 H new ATOM 0 HG21 THR A 26 -3.249 -1.996 -9.476 1.00 0.66 H new ATOM 0 HG22 THR A 26 -1.843 -1.734 -8.417 1.00 0.66 H new ATOM 0 HG23 THR A 26 -2.779 -3.243 -8.297 1.00 0.66 H new ATOM 389 N ILE A 27 -2.772 0.439 -5.042 1.00 0.37 N ATOM 390 CA ILE A 27 -3.091 1.618 -4.243 1.00 0.36 C ATOM 391 C ILE A 27 -3.931 2.600 -5.057 1.00 0.32 C ATOM 392 O ILE A 27 -3.436 3.244 -5.986 1.00 0.37 O ATOM 393 CB ILE A 27 -1.821 2.331 -3.712 1.00 0.40 C ATOM 394 CG1 ILE A 27 -1.056 1.404 -2.758 1.00 0.46 C ATOM 395 CG2 ILE A 27 -2.187 3.631 -3.002 1.00 0.42 C ATOM 396 CD1 ILE A 27 0.268 1.966 -2.291 1.00 0.50 C ATOM 0 H ILE A 27 -1.865 0.473 -5.508 1.00 0.37 H new ATOM 0 HA ILE A 27 -3.661 1.273 -3.380 1.00 0.36 H new ATOM 0 HB ILE A 27 -1.182 2.573 -4.561 1.00 0.40 H new ATOM 0 HG12 ILE A 27 -1.680 1.199 -1.888 1.00 0.46 H new ATOM 0 HG13 ILE A 27 -0.880 0.451 -3.256 1.00 0.46 H new ATOM 0 HG21 ILE A 27 -1.280 4.114 -2.638 1.00 0.42 H new ATOM 0 HG22 ILE A 27 -2.697 4.295 -3.699 1.00 0.42 H new ATOM 0 HG23 ILE A 27 -2.845 3.413 -2.161 1.00 0.42 H new ATOM 0 HD11 ILE A 27 0.749 1.254 -1.620 1.00 0.50 H new ATOM 0 HD12 ILE A 27 0.911 2.145 -3.152 1.00 0.50 H new ATOM 0 HD13 ILE A 27 0.099 2.904 -1.763 1.00 0.50 H new ATOM 408 N THR A 28 -5.211 2.673 -4.731 1.00 0.28 N ATOM 409 CA THR A 28 -6.131 3.573 -5.411 1.00 0.28 C ATOM 410 C THR A 28 -6.731 4.549 -4.405 1.00 0.27 C ATOM 411 O THR A 28 -6.444 4.466 -3.210 1.00 0.29 O ATOM 412 CB THR A 28 -7.266 2.789 -6.099 1.00 0.32 C ATOM 413 OG1 THR A 28 -7.066 1.383 -5.913 1.00 0.73 O ATOM 414 CG2 THR A 28 -7.331 3.099 -7.583 1.00 0.77 C ATOM 0 H THR A 28 -5.640 2.115 -3.993 1.00 0.28 H new ATOM 0 HA THR A 28 -5.574 4.118 -6.173 1.00 0.28 H new ATOM 0 HB THR A 28 -8.209 3.093 -5.644 1.00 0.32 H new ATOM 0 HG1 THR A 28 -7.372 1.125 -5.019 1.00 0.73 H new ATOM 0 HG21 THR A 28 -8.142 2.530 -8.038 1.00 0.77 H new ATOM 0 HG22 THR A 28 -7.511 4.165 -7.725 1.00 0.77 H new ATOM 0 HG23 THR A 28 -6.387 2.825 -8.054 1.00 0.77 H new ATOM 422 N THR A 29 -7.567 5.465 -4.886 1.00 0.29 N ATOM 423 CA THR A 29 -8.211 6.455 -4.031 1.00 0.33 C ATOM 424 C THR A 29 -9.000 5.783 -2.911 1.00 0.31 C ATOM 425 O THR A 29 -9.049 6.277 -1.786 1.00 0.32 O ATOM 426 CB THR A 29 -9.160 7.332 -4.869 1.00 0.40 C ATOM 427 OG1 THR A 29 -9.361 6.714 -6.146 1.00 0.48 O ATOM 428 CG2 THR A 29 -8.598 8.733 -5.065 1.00 0.59 C ATOM 0 H THR A 29 -7.815 5.541 -5.872 1.00 0.29 H new ATOM 0 HA THR A 29 -7.433 7.074 -3.585 1.00 0.33 H new ATOM 0 HB THR A 29 -10.107 7.422 -4.336 1.00 0.40 H new ATOM 0 HG1 THR A 29 -9.966 7.266 -6.685 1.00 0.48 H new ATOM 0 HG21 THR A 29 -9.294 9.324 -5.661 1.00 0.59 H new ATOM 0 HG22 THR A 29 -8.457 9.208 -4.094 1.00 0.59 H new ATOM 0 HG23 THR A 29 -7.640 8.672 -5.581 1.00 0.59 H new ATOM 436 N LYS A 30 -9.589 4.641 -3.223 1.00 0.31 N ATOM 437 CA LYS A 30 -10.391 3.881 -2.260 1.00 0.33 C ATOM 438 C LYS A 30 -9.582 3.482 -1.021 1.00 0.33 C ATOM 439 O LYS A 30 -10.017 3.706 0.107 1.00 0.38 O ATOM 440 CB LYS A 30 -10.946 2.619 -2.935 1.00 0.36 C ATOM 441 CG LYS A 30 -11.754 1.718 -2.007 1.00 0.38 C ATOM 442 CD LYS A 30 -12.276 0.489 -2.735 1.00 0.43 C ATOM 443 CE LYS A 30 -13.398 -0.172 -1.960 1.00 0.51 C ATOM 444 NZ LYS A 30 -14.058 -1.238 -2.755 1.00 0.56 N ATOM 0 H LYS A 30 -9.529 4.210 -4.146 1.00 0.31 H new ATOM 0 HA LYS A 30 -11.206 4.525 -1.931 1.00 0.33 H new ATOM 0 HB2 LYS A 30 -11.576 2.916 -3.774 1.00 0.36 H new ATOM 0 HB3 LYS A 30 -10.116 2.046 -3.347 1.00 0.36 H new ATOM 0 HG2 LYS A 30 -11.132 1.407 -1.168 1.00 0.38 H new ATOM 0 HG3 LYS A 30 -12.591 2.279 -1.592 1.00 0.38 H new ATOM 0 HD2 LYS A 30 -12.633 0.774 -3.725 1.00 0.43 H new ATOM 0 HD3 LYS A 30 -11.463 -0.223 -2.882 1.00 0.43 H new ATOM 0 HE2 LYS A 30 -13.002 -0.597 -1.038 1.00 0.51 H new ATOM 0 HE3 LYS A 30 -14.135 0.579 -1.674 1.00 0.51 H new ATOM 0 HZ1 LYS A 30 -14.873 -1.610 -2.227 1.00 0.56 H new ATOM 0 HZ2 LYS A 30 -14.382 -0.845 -3.661 1.00 0.56 H new ATOM 0 HZ3 LYS A 30 -13.381 -2.007 -2.934 1.00 0.56 H new ATOM 458 N GLU A 31 -8.404 2.917 -1.240 1.00 0.31 N ATOM 459 CA GLU A 31 -7.561 2.460 -0.133 1.00 0.35 C ATOM 460 C GLU A 31 -6.782 3.614 0.483 1.00 0.34 C ATOM 461 O GLU A 31 -6.407 3.578 1.655 1.00 0.39 O ATOM 462 CB GLU A 31 -6.601 1.375 -0.624 1.00 0.37 C ATOM 463 CG GLU A 31 -7.299 0.136 -1.164 1.00 0.41 C ATOM 464 CD GLU A 31 -7.640 0.244 -2.638 1.00 0.35 C ATOM 465 OE1 GLU A 31 -7.366 1.303 -3.250 1.00 0.86 O ATOM 466 OE2 GLU A 31 -8.193 -0.736 -3.198 1.00 0.87 O ATOM 0 H GLU A 31 -8.007 2.762 -2.167 1.00 0.31 H new ATOM 0 HA GLU A 31 -8.209 2.046 0.640 1.00 0.35 H new ATOM 0 HB2 GLU A 31 -5.965 1.792 -1.405 1.00 0.37 H new ATOM 0 HB3 GLU A 31 -5.947 1.083 0.197 1.00 0.37 H new ATOM 0 HG2 GLU A 31 -6.659 -0.732 -1.007 1.00 0.41 H new ATOM 0 HG3 GLU A 31 -8.214 -0.036 -0.597 1.00 0.41 H new ATOM 473 N LEU A 32 -6.548 4.633 -0.323 1.00 0.31 N ATOM 474 CA LEU A 32 -5.812 5.805 0.111 1.00 0.33 C ATOM 475 C LEU A 32 -6.668 6.644 1.068 1.00 0.35 C ATOM 476 O LEU A 32 -6.157 7.267 1.999 1.00 0.47 O ATOM 477 CB LEU A 32 -5.397 6.630 -1.112 1.00 0.34 C ATOM 478 CG LEU A 32 -4.344 7.708 -0.866 1.00 0.37 C ATOM 479 CD1 LEU A 32 -3.057 7.108 -0.302 1.00 0.36 C ATOM 480 CD2 LEU A 32 -4.072 8.445 -2.167 1.00 0.43 C ATOM 0 H LEU A 32 -6.861 4.671 -1.293 1.00 0.31 H new ATOM 0 HA LEU A 32 -4.915 5.492 0.645 1.00 0.33 H new ATOM 0 HB2 LEU A 32 -5.019 5.948 -1.874 1.00 0.34 H new ATOM 0 HB3 LEU A 32 -6.287 7.106 -1.523 1.00 0.34 H new ATOM 0 HG LEU A 32 -4.724 8.411 -0.124 1.00 0.37 H new ATOM 0 HD11 LEU A 32 -2.327 7.901 -0.138 1.00 0.36 H new ATOM 0 HD12 LEU A 32 -3.271 6.611 0.644 1.00 0.36 H new ATOM 0 HD13 LEU A 32 -2.653 6.384 -1.009 1.00 0.36 H new ATOM 0 HD21 LEU A 32 -3.321 9.216 -1.998 1.00 0.43 H new ATOM 0 HD22 LEU A 32 -3.707 7.741 -2.915 1.00 0.43 H new ATOM 0 HD23 LEU A 32 -4.993 8.907 -2.523 1.00 0.43 H new ATOM 492 N GLY A 33 -7.977 6.636 0.841 1.00 0.30 N ATOM 493 CA GLY A 33 -8.881 7.394 1.680 1.00 0.33 C ATOM 494 C GLY A 33 -9.342 6.645 2.919 1.00 0.34 C ATOM 495 O GLY A 33 -9.544 7.249 3.971 1.00 0.36 O ATOM 0 H GLY A 33 -8.427 6.116 0.088 1.00 0.30 H new ATOM 0 HA2 GLY A 33 -8.389 8.317 1.987 1.00 0.33 H new ATOM 0 HA3 GLY A 33 -9.754 7.678 1.093 1.00 0.33 H new ATOM 499 N THR A 34 -9.490 5.328 2.808 1.00 0.36 N ATOM 500 CA THR A 34 -9.950 4.508 3.933 1.00 0.39 C ATOM 501 C THR A 34 -9.047 4.640 5.157 1.00 0.40 C ATOM 502 O THR A 34 -9.528 4.712 6.296 1.00 0.46 O ATOM 503 CB THR A 34 -10.048 3.027 3.541 1.00 0.43 C ATOM 504 OG1 THR A 34 -9.134 2.745 2.478 1.00 0.42 O ATOM 505 CG2 THR A 34 -11.467 2.668 3.115 1.00 0.47 C ATOM 0 H THR A 34 -9.300 4.803 1.954 1.00 0.36 H new ATOM 0 HA THR A 34 -10.940 4.883 4.193 1.00 0.39 H new ATOM 0 HB THR A 34 -9.790 2.424 4.411 1.00 0.43 H new ATOM 0 HG1 THR A 34 -9.548 2.976 1.620 1.00 0.42 H new ATOM 0 HG21 THR A 34 -11.509 1.613 2.842 1.00 0.47 H new ATOM 0 HG22 THR A 34 -12.154 2.857 3.940 1.00 0.47 H new ATOM 0 HG23 THR A 34 -11.754 3.276 2.257 1.00 0.47 H new ATOM 513 N VAL A 35 -7.735 4.692 4.937 1.00 0.40 N ATOM 514 CA VAL A 35 -6.796 4.813 6.031 1.00 0.43 C ATOM 515 C VAL A 35 -6.877 6.204 6.659 1.00 0.40 C ATOM 516 O VAL A 35 -7.031 6.337 7.872 1.00 0.42 O ATOM 517 CB VAL A 35 -5.346 4.487 5.579 1.00 0.51 C ATOM 518 CG1 VAL A 35 -4.946 5.295 4.354 1.00 1.14 C ATOM 519 CG2 VAL A 35 -4.360 4.710 6.711 1.00 1.38 C ATOM 0 H VAL A 35 -7.307 4.652 4.012 1.00 0.40 H new ATOM 0 HA VAL A 35 -7.071 4.079 6.788 1.00 0.43 H new ATOM 0 HB VAL A 35 -5.321 3.433 5.304 1.00 0.51 H new ATOM 0 HG11 VAL A 35 -3.926 5.040 4.067 1.00 1.14 H new ATOM 0 HG12 VAL A 35 -5.622 5.066 3.530 1.00 1.14 H new ATOM 0 HG13 VAL A 35 -5.003 6.359 4.585 1.00 1.14 H new ATOM 0 HG21 VAL A 35 -3.353 4.474 6.368 1.00 1.38 H new ATOM 0 HG22 VAL A 35 -4.401 5.752 7.029 1.00 1.38 H new ATOM 0 HG23 VAL A 35 -4.618 4.064 7.550 1.00 1.38 H new ATOM 529 N MET A 36 -6.803 7.247 5.828 1.00 0.38 N ATOM 530 CA MET A 36 -6.884 8.625 6.304 1.00 0.40 C ATOM 531 C MET A 36 -8.160 8.862 7.087 1.00 0.37 C ATOM 532 O MET A 36 -8.146 9.476 8.152 1.00 0.39 O ATOM 533 CB MET A 36 -6.812 9.600 5.117 1.00 0.46 C ATOM 534 CG MET A 36 -5.482 9.567 4.384 1.00 0.82 C ATOM 535 SD MET A 36 -5.473 10.601 2.902 1.00 0.85 S ATOM 536 CE MET A 36 -3.913 10.105 2.175 1.00 0.83 C ATOM 0 H MET A 36 -6.687 7.160 4.818 1.00 0.38 H new ATOM 0 HA MET A 36 -6.038 8.800 6.969 1.00 0.40 H new ATOM 0 HB2 MET A 36 -7.611 9.364 4.414 1.00 0.46 H new ATOM 0 HB3 MET A 36 -6.994 10.612 5.477 1.00 0.46 H new ATOM 0 HG2 MET A 36 -4.693 9.899 5.058 1.00 0.82 H new ATOM 0 HG3 MET A 36 -5.251 8.539 4.105 1.00 0.82 H new ATOM 0 HE1 MET A 36 -3.606 10.843 1.433 1.00 0.83 H new ATOM 0 HE2 MET A 36 -3.154 10.037 2.954 1.00 0.83 H new ATOM 0 HE3 MET A 36 -4.028 9.134 1.694 1.00 0.83 H new ATOM 546 N ARG A 37 -9.257 8.346 6.554 1.00 0.36 N ATOM 547 CA ARG A 37 -10.574 8.477 7.170 1.00 0.38 C ATOM 548 C ARG A 37 -10.576 7.991 8.615 1.00 0.40 C ATOM 549 O ARG A 37 -11.143 8.633 9.502 1.00 0.45 O ATOM 550 CB ARG A 37 -11.590 7.675 6.369 1.00 0.41 C ATOM 551 CG ARG A 37 -13.034 8.003 6.706 1.00 0.51 C ATOM 552 CD ARG A 37 -13.966 7.658 5.559 1.00 0.71 C ATOM 553 NE ARG A 37 -15.275 8.298 5.709 1.00 1.03 N ATOM 554 CZ ARG A 37 -16.064 8.641 4.690 1.00 1.51 C ATOM 555 NH1 ARG A 37 -15.721 8.335 3.443 1.00 1.88 N ATOM 556 NH2 ARG A 37 -17.210 9.275 4.923 1.00 1.95 N ATOM 0 H ARG A 37 -9.262 7.822 5.679 1.00 0.36 H new ATOM 0 HA ARG A 37 -10.838 9.535 7.170 1.00 0.38 H new ATOM 0 HB2 ARG A 37 -11.425 7.855 5.307 1.00 0.41 H new ATOM 0 HB3 ARG A 37 -11.419 6.613 6.543 1.00 0.41 H new ATOM 0 HG2 ARG A 37 -13.334 7.453 7.598 1.00 0.51 H new ATOM 0 HG3 ARG A 37 -13.122 9.064 6.941 1.00 0.51 H new ATOM 0 HD2 ARG A 37 -13.515 7.971 4.617 1.00 0.71 H new ATOM 0 HD3 ARG A 37 -14.094 6.577 5.508 1.00 0.71 H new ATOM 0 HE ARG A 37 -15.604 8.494 6.654 1.00 1.03 H new ATOM 0 HH11 ARG A 37 -14.850 7.835 3.262 1.00 1.88 H new ATOM 0 HH12 ARG A 37 -16.328 8.600 2.667 1.00 1.88 H new ATOM 0 HH21 ARG A 37 -17.484 9.498 5.880 1.00 1.95 H new ATOM 0 HH22 ARG A 37 -17.815 9.538 4.145 1.00 1.95 H new ATOM 570 N SER A 38 -9.907 6.875 8.854 1.00 0.42 N ATOM 571 CA SER A 38 -9.854 6.280 10.185 1.00 0.45 C ATOM 572 C SER A 38 -8.758 6.912 11.046 1.00 0.46 C ATOM 573 O SER A 38 -8.780 6.817 12.278 1.00 0.59 O ATOM 574 CB SER A 38 -9.628 4.773 10.059 1.00 0.53 C ATOM 575 OG SER A 38 -10.377 4.252 8.976 1.00 0.58 O ATOM 0 H SER A 38 -9.390 6.359 8.142 1.00 0.42 H new ATOM 0 HA SER A 38 -10.806 6.469 10.682 1.00 0.45 H new ATOM 0 HB2 SER A 38 -8.568 4.569 9.908 1.00 0.53 H new ATOM 0 HB3 SER A 38 -9.920 4.276 10.984 1.00 0.53 H new ATOM 0 HG SER A 38 -9.915 4.448 8.134 1.00 0.58 H new ATOM 581 N LEU A 39 -7.809 7.575 10.403 1.00 0.40 N ATOM 582 CA LEU A 39 -6.703 8.199 11.115 1.00 0.43 C ATOM 583 C LEU A 39 -7.042 9.619 11.561 1.00 0.46 C ATOM 584 O LEU A 39 -6.900 9.951 12.736 1.00 0.58 O ATOM 585 CB LEU A 39 -5.445 8.209 10.246 1.00 0.44 C ATOM 586 CG LEU A 39 -4.356 7.220 10.663 1.00 0.46 C ATOM 587 CD1 LEU A 39 -4.808 5.792 10.401 1.00 0.72 C ATOM 588 CD2 LEU A 39 -3.056 7.523 9.929 1.00 0.52 C ATOM 0 H LEU A 39 -7.782 7.695 9.390 1.00 0.40 H new ATOM 0 HA LEU A 39 -6.517 7.605 12.010 1.00 0.43 H new ATOM 0 HB2 LEU A 39 -5.733 7.995 9.217 1.00 0.44 H new ATOM 0 HB3 LEU A 39 -5.024 9.214 10.257 1.00 0.44 H new ATOM 0 HG LEU A 39 -4.176 7.328 11.733 1.00 0.46 H new ATOM 0 HD11 LEU A 39 -4.022 5.100 10.703 1.00 0.72 H new ATOM 0 HD12 LEU A 39 -5.712 5.586 10.973 1.00 0.72 H new ATOM 0 HD13 LEU A 39 -5.014 5.665 9.338 1.00 0.72 H new ATOM 0 HD21 LEU A 39 -2.290 6.811 10.236 1.00 0.52 H new ATOM 0 HD22 LEU A 39 -3.217 7.441 8.854 1.00 0.52 H new ATOM 0 HD23 LEU A 39 -2.729 8.534 10.171 1.00 0.52 H new ATOM 600 N GLY A 40 -7.483 10.455 10.631 1.00 0.44 N ATOM 601 CA GLY A 40 -7.811 11.823 10.970 1.00 0.50 C ATOM 602 C GLY A 40 -8.895 12.386 10.081 1.00 0.50 C ATOM 603 O GLY A 40 -8.792 13.524 9.620 1.00 0.56 O ATOM 0 H GLY A 40 -7.619 10.210 9.650 1.00 0.44 H new ATOM 0 HA2 GLY A 40 -8.135 11.870 12.010 1.00 0.50 H new ATOM 0 HA3 GLY A 40 -6.917 12.441 10.886 1.00 0.50 H new ATOM 607 N GLN A 41 -9.921 11.565 9.841 1.00 0.49 N ATOM 608 CA GLN A 41 -11.064 11.935 9.001 1.00 0.54 C ATOM 609 C GLN A 41 -10.671 12.002 7.524 1.00 0.51 C ATOM 610 O GLN A 41 -9.504 12.187 7.174 1.00 0.60 O ATOM 611 CB GLN A 41 -11.690 13.261 9.463 1.00 0.62 C ATOM 612 CG GLN A 41 -13.135 13.445 9.010 1.00 1.04 C ATOM 613 CD GLN A 41 -13.931 12.156 9.063 1.00 1.93 C ATOM 614 OE1 GLN A 41 -14.065 11.455 8.061 1.00 2.45 O ATOM 615 NE2 GLN A 41 -14.438 11.826 10.235 1.00 2.83 N ATOM 0 H GLN A 41 -9.983 10.622 10.225 1.00 0.49 H new ATOM 0 HA GLN A 41 -11.816 11.154 9.111 1.00 0.54 H new ATOM 0 HB2 GLN A 41 -11.650 13.312 10.551 1.00 0.62 H new ATOM 0 HB3 GLN A 41 -11.091 14.088 9.082 1.00 0.62 H new ATOM 0 HG2 GLN A 41 -13.617 14.192 9.641 1.00 1.04 H new ATOM 0 HG3 GLN A 41 -13.146 13.833 7.991 1.00 1.04 H new ATOM 0 HE21 GLN A 41 -14.302 12.438 11.040 1.00 2.83 H new ATOM 0 HE22 GLN A 41 -14.966 10.959 10.337 1.00 2.83 H new ATOM 624 N ASN A 42 -11.656 11.824 6.659 1.00 0.53 N ATOM 625 CA ASN A 42 -11.423 11.863 5.222 1.00 0.53 C ATOM 626 C ASN A 42 -11.727 13.255 4.685 1.00 0.50 C ATOM 627 O ASN A 42 -12.750 13.846 5.035 1.00 0.56 O ATOM 628 CB ASN A 42 -12.308 10.834 4.514 1.00 0.67 C ATOM 629 CG ASN A 42 -11.901 10.587 3.072 1.00 0.73 C ATOM 630 OD1 ASN A 42 -11.152 9.653 2.779 1.00 0.96 O ATOM 631 ND2 ASN A 42 -12.381 11.423 2.164 1.00 0.63 N ATOM 0 H ASN A 42 -12.625 11.651 6.925 1.00 0.53 H new ATOM 0 HA ASN A 42 -10.377 11.623 5.031 1.00 0.53 H new ATOM 0 HB2 ASN A 42 -12.269 9.893 5.062 1.00 0.67 H new ATOM 0 HB3 ASN A 42 -13.343 11.175 4.539 1.00 0.67 H new ATOM 0 HD21 ASN A 42 -12.133 11.306 1.181 1.00 0.63 H new ATOM 0 HD22 ASN A 42 -12.998 12.184 2.447 1.00 0.63 H new ATOM 638 N PRO A 43 -10.844 13.803 3.841 1.00 0.49 N ATOM 639 CA PRO A 43 -11.038 15.124 3.235 1.00 0.54 C ATOM 640 C PRO A 43 -12.079 15.075 2.120 1.00 0.50 C ATOM 641 O PRO A 43 -12.884 14.147 2.053 1.00 0.48 O ATOM 642 CB PRO A 43 -9.651 15.450 2.679 1.00 0.61 C ATOM 643 CG PRO A 43 -9.046 14.124 2.382 1.00 0.60 C ATOM 644 CD PRO A 43 -9.573 13.185 3.429 1.00 0.56 C ATOM 0 HA PRO A 43 -11.408 15.869 3.940 1.00 0.54 H new ATOM 0 HB2 PRO A 43 -9.718 16.065 1.782 1.00 0.61 H new ATOM 0 HB3 PRO A 43 -9.054 16.005 3.403 1.00 0.61 H new ATOM 0 HG2 PRO A 43 -9.318 13.786 1.382 1.00 0.60 H new ATOM 0 HG3 PRO A 43 -7.958 14.175 2.416 1.00 0.60 H new ATOM 0 HD2 PRO A 43 -9.726 12.183 3.028 1.00 0.56 H new ATOM 0 HD3 PRO A 43 -8.883 13.091 4.267 1.00 0.56 H new ATOM 652 N THR A 44 -12.069 16.064 1.242 1.00 0.57 N ATOM 653 CA THR A 44 -13.017 16.083 0.143 1.00 0.59 C ATOM 654 C THR A 44 -12.493 15.227 -1.001 1.00 0.53 C ATOM 655 O THR A 44 -11.298 14.891 -1.041 1.00 0.50 O ATOM 656 CB THR A 44 -13.272 17.512 -0.376 1.00 0.71 C ATOM 657 OG1 THR A 44 -12.047 18.079 -0.857 1.00 0.72 O ATOM 658 CG2 THR A 44 -13.846 18.397 0.718 1.00 0.80 C ATOM 0 H THR A 44 -11.424 16.854 1.268 1.00 0.57 H new ATOM 0 HA THR A 44 -13.960 15.685 0.518 1.00 0.59 H new ATOM 0 HB THR A 44 -13.996 17.454 -1.189 1.00 0.71 H new ATOM 0 HG1 THR A 44 -11.554 18.476 -0.109 1.00 0.72 H new ATOM 0 HG21 THR A 44 -14.016 19.399 0.324 1.00 0.80 H new ATOM 0 HG22 THR A 44 -14.791 17.979 1.066 1.00 0.80 H new ATOM 0 HG23 THR A 44 -13.144 18.449 1.550 1.00 0.80 H new ATOM 666 N GLU A 45 -13.375 14.902 -1.941 1.00 0.58 N ATOM 667 CA GLU A 45 -12.996 14.093 -3.092 1.00 0.58 C ATOM 668 C GLU A 45 -11.989 14.843 -3.953 1.00 0.57 C ATOM 669 O GLU A 45 -11.211 14.236 -4.677 1.00 0.56 O ATOM 670 CB GLU A 45 -14.225 13.706 -3.923 1.00 0.68 C ATOM 671 CG GLU A 45 -15.083 12.622 -3.277 1.00 0.81 C ATOM 672 CD GLU A 45 -16.105 12.014 -4.228 1.00 1.39 C ATOM 673 OE1 GLU A 45 -15.791 11.858 -5.431 1.00 2.13 O ATOM 674 OE2 GLU A 45 -17.224 11.686 -3.779 1.00 1.82 O ATOM 0 H GLU A 45 -14.355 15.186 -1.928 1.00 0.58 H new ATOM 0 HA GLU A 45 -12.535 13.176 -2.726 1.00 0.58 H new ATOM 0 HB2 GLU A 45 -14.837 14.593 -4.086 1.00 0.68 H new ATOM 0 HB3 GLU A 45 -13.896 13.361 -4.903 1.00 0.68 H new ATOM 0 HG2 GLU A 45 -14.434 11.832 -2.899 1.00 0.81 H new ATOM 0 HG3 GLU A 45 -15.604 13.045 -2.418 1.00 0.81 H new ATOM 681 N ALA A 46 -12.001 16.172 -3.854 1.00 0.60 N ATOM 682 CA ALA A 46 -11.072 16.997 -4.611 1.00 0.61 C ATOM 683 C ALA A 46 -9.641 16.768 -4.146 1.00 0.55 C ATOM 684 O ALA A 46 -8.750 16.514 -4.954 1.00 0.54 O ATOM 685 CB ALA A 46 -11.441 18.461 -4.475 1.00 0.70 C ATOM 0 H ALA A 46 -12.643 16.695 -3.258 1.00 0.60 H new ATOM 0 HA ALA A 46 -11.139 16.712 -5.661 1.00 0.61 H new ATOM 0 HB1 ALA A 46 -10.738 19.068 -5.046 1.00 0.70 H new ATOM 0 HB2 ALA A 46 -12.450 18.619 -4.856 1.00 0.70 H new ATOM 0 HB3 ALA A 46 -11.400 18.750 -3.425 1.00 0.70 H new ATOM 691 N GLU A 47 -9.434 16.858 -2.842 1.00 0.54 N ATOM 692 CA GLU A 47 -8.118 16.654 -2.258 1.00 0.51 C ATOM 693 C GLU A 47 -7.698 15.193 -2.402 1.00 0.46 C ATOM 694 O GLU A 47 -6.521 14.880 -2.569 1.00 0.46 O ATOM 695 CB GLU A 47 -8.143 17.032 -0.775 1.00 0.55 C ATOM 696 CG GLU A 47 -8.621 18.453 -0.496 1.00 0.66 C ATOM 697 CD GLU A 47 -9.161 18.613 0.913 1.00 0.72 C ATOM 698 OE1 GLU A 47 -10.357 18.318 1.131 1.00 0.76 O ATOM 699 OE2 GLU A 47 -8.391 19.031 1.805 1.00 0.81 O ATOM 0 H GLU A 47 -10.166 17.072 -2.164 1.00 0.54 H new ATOM 0 HA GLU A 47 -7.401 17.286 -2.783 1.00 0.51 H new ATOM 0 HB2 GLU A 47 -8.790 16.333 -0.245 1.00 0.55 H new ATOM 0 HB3 GLU A 47 -7.140 16.912 -0.365 1.00 0.55 H new ATOM 0 HG2 GLU A 47 -7.795 19.148 -0.647 1.00 0.66 H new ATOM 0 HG3 GLU A 47 -9.398 18.720 -1.213 1.00 0.66 H new ATOM 706 N LEU A 48 -8.682 14.299 -2.331 1.00 0.44 N ATOM 707 CA LEU A 48 -8.439 12.874 -2.441 1.00 0.44 C ATOM 708 C LEU A 48 -7.992 12.491 -3.852 1.00 0.43 C ATOM 709 O LEU A 48 -7.079 11.685 -4.034 1.00 0.43 O ATOM 710 CB LEU A 48 -9.707 12.118 -2.059 1.00 0.51 C ATOM 711 CG LEU A 48 -9.497 10.689 -1.561 1.00 0.64 C ATOM 712 CD1 LEU A 48 -8.694 10.680 -0.265 1.00 0.76 C ATOM 713 CD2 LEU A 48 -10.839 9.983 -1.384 1.00 0.73 C ATOM 0 H LEU A 48 -9.662 14.546 -2.196 1.00 0.44 H new ATOM 0 HA LEU A 48 -7.632 12.604 -1.760 1.00 0.44 H new ATOM 0 HB2 LEU A 48 -10.225 12.682 -1.283 1.00 0.51 H new ATOM 0 HB3 LEU A 48 -10.367 12.089 -2.926 1.00 0.51 H new ATOM 0 HG LEU A 48 -8.924 10.143 -2.310 1.00 0.64 H new ATOM 0 HD11 LEU A 48 -8.557 9.652 0.071 1.00 0.76 H new ATOM 0 HD12 LEU A 48 -7.720 11.139 -0.437 1.00 0.76 H new ATOM 0 HD13 LEU A 48 -9.230 11.243 0.499 1.00 0.76 H new ATOM 0 HD21 LEU A 48 -10.671 8.966 -1.029 1.00 0.73 H new ATOM 0 HD22 LEU A 48 -11.443 10.526 -0.657 1.00 0.73 H new ATOM 0 HD23 LEU A 48 -11.362 9.952 -2.340 1.00 0.73 H new ATOM 725 N GLN A 49 -8.632 13.090 -4.843 1.00 0.45 N ATOM 726 CA GLN A 49 -8.314 12.820 -6.237 1.00 0.47 C ATOM 727 C GLN A 49 -6.920 13.343 -6.587 1.00 0.46 C ATOM 728 O GLN A 49 -6.152 12.678 -7.283 1.00 0.48 O ATOM 729 CB GLN A 49 -9.362 13.457 -7.155 1.00 0.53 C ATOM 730 CG GLN A 49 -9.199 13.103 -8.621 1.00 0.74 C ATOM 731 CD GLN A 49 -10.128 13.899 -9.516 1.00 0.84 C ATOM 732 OE1 GLN A 49 -11.266 13.499 -9.767 1.00 0.99 O ATOM 733 NE2 GLN A 49 -9.645 15.033 -10.004 1.00 1.12 N ATOM 0 H GLN A 49 -9.379 13.771 -4.707 1.00 0.45 H new ATOM 0 HA GLN A 49 -8.324 11.740 -6.386 1.00 0.47 H new ATOM 0 HB2 GLN A 49 -10.354 13.147 -6.826 1.00 0.53 H new ATOM 0 HB3 GLN A 49 -9.314 14.541 -7.046 1.00 0.53 H new ATOM 0 HG2 GLN A 49 -8.167 13.282 -8.922 1.00 0.74 H new ATOM 0 HG3 GLN A 49 -9.391 12.039 -8.758 1.00 0.74 H new ATOM 0 HE21 GLN A 49 -8.696 15.326 -9.770 1.00 1.12 H new ATOM 0 HE22 GLN A 49 -10.222 15.613 -10.614 1.00 1.12 H new ATOM 742 N ASP A 50 -6.583 14.522 -6.084 1.00 0.45 N ATOM 743 CA ASP A 50 -5.279 15.102 -6.367 1.00 0.46 C ATOM 744 C ASP A 50 -4.185 14.362 -5.610 1.00 0.42 C ATOM 745 O ASP A 50 -3.042 14.317 -6.043 1.00 0.45 O ATOM 746 CB ASP A 50 -5.252 16.580 -6.006 1.00 0.51 C ATOM 747 CG ASP A 50 -4.006 17.265 -6.536 1.00 0.60 C ATOM 748 OD1 ASP A 50 -3.718 17.140 -7.754 1.00 1.42 O ATOM 749 OD2 ASP A 50 -3.316 17.943 -5.744 1.00 1.10 O ATOM 0 H ASP A 50 -7.185 15.089 -5.486 1.00 0.45 H new ATOM 0 HA ASP A 50 -5.095 15.002 -7.437 1.00 0.46 H new ATOM 0 HB2 ASP A 50 -6.137 17.070 -6.412 1.00 0.51 H new ATOM 0 HB3 ASP A 50 -5.295 16.691 -4.922 1.00 0.51 H new ATOM 754 N MET A 51 -4.547 13.765 -4.475 1.00 0.39 N ATOM 755 CA MET A 51 -3.583 13.019 -3.670 1.00 0.38 C ATOM 756 C MET A 51 -3.044 11.828 -4.452 1.00 0.37 C ATOM 757 O MET A 51 -1.855 11.525 -4.385 1.00 0.38 O ATOM 758 CB MET A 51 -4.198 12.542 -2.354 1.00 0.41 C ATOM 759 CG MET A 51 -3.446 13.021 -1.113 1.00 0.45 C ATOM 760 SD MET A 51 -1.696 12.567 -1.103 1.00 0.54 S ATOM 761 CE MET A 51 -1.793 10.778 -1.003 1.00 0.40 C ATOM 0 H MET A 51 -5.493 13.783 -4.095 1.00 0.39 H new ATOM 0 HA MET A 51 -2.761 13.695 -3.434 1.00 0.38 H new ATOM 0 HB2 MET A 51 -5.230 12.889 -2.299 1.00 0.41 H new ATOM 0 HB3 MET A 51 -4.228 11.452 -2.351 1.00 0.41 H new ATOM 0 HG2 MET A 51 -3.531 14.105 -1.043 1.00 0.45 H new ATOM 0 HG3 MET A 51 -3.925 12.606 -0.226 1.00 0.45 H new ATOM 0 HE1 MET A 51 -0.988 10.405 -0.370 1.00 0.40 H new ATOM 0 HE2 MET A 51 -2.754 10.489 -0.577 1.00 0.40 H new ATOM 0 HE3 MET A 51 -1.696 10.352 -2.002 1.00 0.40 H new ATOM 771 N ILE A 52 -3.904 11.167 -5.221 1.00 0.39 N ATOM 772 CA ILE A 52 -3.470 10.030 -6.015 1.00 0.43 C ATOM 773 C ILE A 52 -2.756 10.514 -7.278 1.00 0.47 C ATOM 774 O ILE A 52 -2.019 9.771 -7.920 1.00 0.52 O ATOM 775 CB ILE A 52 -4.640 9.082 -6.366 1.00 0.48 C ATOM 776 CG1 ILE A 52 -4.102 7.720 -6.806 1.00 0.49 C ATOM 777 CG2 ILE A 52 -5.541 9.663 -7.451 1.00 0.59 C ATOM 778 CD1 ILE A 52 -3.424 6.932 -5.706 1.00 0.46 C ATOM 0 H ILE A 52 -4.894 11.398 -5.309 1.00 0.39 H new ATOM 0 HA ILE A 52 -2.770 9.452 -5.412 1.00 0.43 H new ATOM 0 HB ILE A 52 -5.243 8.962 -5.466 1.00 0.48 H new ATOM 0 HG12 ILE A 52 -4.926 7.129 -7.205 1.00 0.49 H new ATOM 0 HG13 ILE A 52 -3.393 7.869 -7.620 1.00 0.49 H new ATOM 0 HG21 ILE A 52 -6.349 8.964 -7.666 1.00 0.59 H new ATOM 0 HG22 ILE A 52 -5.961 10.608 -7.108 1.00 0.59 H new ATOM 0 HG23 ILE A 52 -4.958 9.833 -8.356 1.00 0.59 H new ATOM 0 HD11 ILE A 52 -3.072 5.980 -6.104 1.00 0.46 H new ATOM 0 HD12 ILE A 52 -2.577 7.499 -5.321 1.00 0.46 H new ATOM 0 HD13 ILE A 52 -4.134 6.748 -4.900 1.00 0.46 H new ATOM 790 N ASN A 53 -2.937 11.789 -7.596 1.00 0.50 N ATOM 791 CA ASN A 53 -2.292 12.396 -8.753 1.00 0.57 C ATOM 792 C ASN A 53 -0.886 12.832 -8.361 1.00 0.56 C ATOM 793 O ASN A 53 0.033 12.872 -9.179 1.00 0.61 O ATOM 794 CB ASN A 53 -3.104 13.597 -9.250 1.00 0.65 C ATOM 795 CG ASN A 53 -2.323 14.493 -10.196 1.00 0.72 C ATOM 796 OD1 ASN A 53 -1.648 14.019 -11.112 1.00 0.98 O ATOM 797 ND2 ASN A 53 -2.393 15.800 -9.976 1.00 1.06 N ATOM 0 H ASN A 53 -3.530 12.427 -7.065 1.00 0.50 H new ATOM 0 HA ASN A 53 -2.237 11.668 -9.563 1.00 0.57 H new ATOM 0 HB2 ASN A 53 -4.000 13.238 -9.756 1.00 0.65 H new ATOM 0 HB3 ASN A 53 -3.435 14.184 -8.393 1.00 0.65 H new ATOM 0 HD21 ASN A 53 -1.878 16.446 -10.574 1.00 1.06 H new ATOM 0 HD22 ASN A 53 -2.961 16.158 -9.209 1.00 1.06 H new ATOM 804 N GLU A 54 -0.730 13.131 -7.081 1.00 0.50 N ATOM 805 CA GLU A 54 0.542 13.574 -6.528 1.00 0.51 C ATOM 806 C GLU A 54 1.456 12.387 -6.240 1.00 0.50 C ATOM 807 O GLU A 54 2.439 12.517 -5.505 1.00 0.71 O ATOM 808 CB GLU A 54 0.312 14.337 -5.224 1.00 0.53 C ATOM 809 CG GLU A 54 1.012 15.686 -5.188 1.00 0.62 C ATOM 810 CD GLU A 54 1.040 16.313 -3.810 1.00 0.91 C ATOM 811 OE1 GLU A 54 1.078 15.569 -2.804 1.00 1.58 O ATOM 812 OE2 GLU A 54 1.043 17.558 -3.729 1.00 1.46 O ATOM 0 H GLU A 54 -1.482 13.074 -6.395 1.00 0.50 H new ATOM 0 HA GLU A 54 1.015 14.223 -7.265 1.00 0.51 H new ATOM 0 HB2 GLU A 54 -0.758 14.486 -5.082 1.00 0.53 H new ATOM 0 HB3 GLU A 54 0.663 13.731 -4.389 1.00 0.53 H new ATOM 0 HG2 GLU A 54 2.035 15.566 -5.545 1.00 0.62 H new ATOM 0 HG3 GLU A 54 0.511 16.365 -5.878 1.00 0.62 H new ATOM 819 N VAL A 55 1.114 11.228 -6.793 1.00 0.48 N ATOM 820 CA VAL A 55 1.898 10.017 -6.584 1.00 0.46 C ATOM 821 C VAL A 55 1.922 9.149 -7.841 1.00 0.47 C ATOM 822 O VAL A 55 2.965 8.597 -8.207 1.00 0.69 O ATOM 823 CB VAL A 55 1.365 9.199 -5.382 1.00 0.47 C ATOM 824 CG1 VAL A 55 -0.150 9.131 -5.357 1.00 0.39 C ATOM 825 CG2 VAL A 55 1.941 7.804 -5.355 1.00 0.82 C ATOM 0 H VAL A 55 0.297 11.102 -7.391 1.00 0.48 H new ATOM 0 HA VAL A 55 2.918 10.330 -6.360 1.00 0.46 H new ATOM 0 HB VAL A 55 1.694 9.730 -4.489 1.00 0.47 H new ATOM 0 HG11 VAL A 55 -0.474 8.547 -4.496 1.00 0.39 H new ATOM 0 HG12 VAL A 55 -0.558 10.139 -5.286 1.00 0.39 H new ATOM 0 HG13 VAL A 55 -0.508 8.658 -6.271 1.00 0.39 H new ATOM 0 HG21 VAL A 55 1.543 7.262 -4.497 1.00 0.82 H new ATOM 0 HG22 VAL A 55 1.670 7.281 -6.272 1.00 0.82 H new ATOM 0 HG23 VAL A 55 3.027 7.860 -5.276 1.00 0.82 H new ATOM 835 N ASP A 56 0.780 9.037 -8.509 1.00 0.52 N ATOM 836 CA ASP A 56 0.695 8.232 -9.720 1.00 0.52 C ATOM 837 C ASP A 56 1.290 8.978 -10.910 1.00 0.62 C ATOM 838 O ASP A 56 0.613 9.749 -11.595 1.00 0.70 O ATOM 839 CB ASP A 56 -0.754 7.817 -9.989 1.00 0.53 C ATOM 840 CG ASP A 56 -0.843 6.732 -11.035 1.00 0.52 C ATOM 841 OD1 ASP A 56 -0.430 5.579 -10.759 1.00 0.52 O ATOM 842 OD2 ASP A 56 -1.332 7.011 -12.140 1.00 0.57 O ATOM 0 H ASP A 56 -0.092 9.489 -8.235 1.00 0.52 H new ATOM 0 HA ASP A 56 1.281 7.325 -9.573 1.00 0.52 H new ATOM 0 HB2 ASP A 56 -1.209 7.467 -9.063 1.00 0.53 H new ATOM 0 HB3 ASP A 56 -1.326 8.685 -10.317 1.00 0.53 H new ATOM 847 N ALA A 57 2.572 8.743 -11.135 1.00 0.68 N ATOM 848 CA ALA A 57 3.308 9.390 -12.211 1.00 0.81 C ATOM 849 C ALA A 57 2.835 8.939 -13.587 1.00 0.81 C ATOM 850 O ALA A 57 2.911 9.700 -14.556 1.00 0.88 O ATOM 851 CB ALA A 57 4.799 9.123 -12.060 1.00 0.90 C ATOM 0 H ALA A 57 3.133 8.099 -10.578 1.00 0.68 H new ATOM 0 HA ALA A 57 3.117 10.460 -12.135 1.00 0.81 H new ATOM 0 HB1 ALA A 57 5.340 9.612 -12.870 1.00 0.90 H new ATOM 0 HB2 ALA A 57 5.144 9.517 -11.104 1.00 0.90 H new ATOM 0 HB3 ALA A 57 4.982 8.049 -12.097 1.00 0.90 H new ATOM 857 N ASP A 58 2.342 7.714 -13.682 1.00 0.76 N ATOM 858 CA ASP A 58 1.867 7.190 -14.960 1.00 0.79 C ATOM 859 C ASP A 58 0.624 7.946 -15.418 1.00 0.80 C ATOM 860 O ASP A 58 0.476 8.234 -16.598 1.00 0.85 O ATOM 861 CB ASP A 58 1.604 5.667 -14.909 1.00 0.76 C ATOM 862 CG ASP A 58 1.110 5.154 -13.564 1.00 0.61 C ATOM 863 OD1 ASP A 58 1.558 5.617 -12.503 1.00 0.59 O ATOM 864 OD2 ASP A 58 0.276 4.235 -13.527 1.00 0.62 O ATOM 0 H ASP A 58 2.259 7.066 -12.899 1.00 0.76 H new ATOM 0 HA ASP A 58 2.660 7.347 -15.691 1.00 0.79 H new ATOM 0 HB2 ASP A 58 0.869 5.413 -15.672 1.00 0.76 H new ATOM 0 HB3 ASP A 58 2.525 5.144 -15.167 1.00 0.76 H new ATOM 869 N GLY A 59 -0.263 8.264 -14.484 1.00 0.85 N ATOM 870 CA GLY A 59 -1.463 9.010 -14.817 1.00 0.90 C ATOM 871 C GLY A 59 -2.665 8.126 -15.070 1.00 0.91 C ATOM 872 O GLY A 59 -3.377 8.295 -16.060 1.00 1.03 O ATOM 0 H GLY A 59 -0.173 8.018 -13.498 1.00 0.85 H new ATOM 0 HA2 GLY A 59 -1.692 9.699 -14.004 1.00 0.90 H new ATOM 0 HA3 GLY A 59 -1.272 9.615 -15.703 1.00 0.90 H new ATOM 876 N ASN A 60 -2.886 7.175 -14.189 1.00 0.82 N ATOM 877 CA ASN A 60 -4.021 6.277 -14.312 1.00 0.85 C ATOM 878 C ASN A 60 -4.677 6.065 -12.949 1.00 0.78 C ATOM 879 O ASN A 60 -5.670 5.355 -12.820 1.00 0.93 O ATOM 880 CB ASN A 60 -3.589 4.951 -14.958 1.00 0.88 C ATOM 881 CG ASN A 60 -2.866 4.017 -14.009 1.00 0.93 C ATOM 882 OD1 ASN A 60 -2.328 4.432 -12.983 1.00 1.23 O ATOM 883 ND2 ASN A 60 -2.824 2.746 -14.358 1.00 1.61 N ATOM 0 H ASN A 60 -2.295 7.001 -13.376 1.00 0.82 H new ATOM 0 HA ASN A 60 -4.766 6.728 -14.967 1.00 0.85 H new ATOM 0 HB2 ASN A 60 -4.471 4.444 -15.351 1.00 0.88 H new ATOM 0 HB3 ASN A 60 -2.940 5.165 -15.807 1.00 0.88 H new ATOM 0 HD21 ASN A 60 -2.334 2.072 -13.770 1.00 1.61 H new ATOM 0 HD22 ASN A 60 -3.281 2.437 -15.216 1.00 1.61 H new ATOM 890 N GLY A 61 -4.103 6.704 -11.928 1.00 0.64 N ATOM 891 CA GLY A 61 -4.634 6.621 -10.579 1.00 0.63 C ATOM 892 C GLY A 61 -4.473 5.249 -9.958 1.00 0.58 C ATOM 893 O GLY A 61 -5.111 4.941 -8.954 1.00 0.67 O ATOM 0 H GLY A 61 -3.269 7.284 -12.017 1.00 0.64 H new ATOM 0 HA2 GLY A 61 -4.132 7.358 -9.952 1.00 0.63 H new ATOM 0 HA3 GLY A 61 -5.692 6.884 -10.595 1.00 0.63 H new ATOM 897 N THR A 62 -3.624 4.420 -10.546 1.00 0.53 N ATOM 898 CA THR A 62 -3.406 3.077 -10.043 1.00 0.52 C ATOM 899 C THR A 62 -1.915 2.742 -9.976 1.00 0.49 C ATOM 900 O THR A 62 -1.151 3.004 -10.918 1.00 0.54 O ATOM 901 CB THR A 62 -4.130 2.044 -10.932 1.00 0.58 C ATOM 902 OG1 THR A 62 -5.382 2.577 -11.395 1.00 0.65 O ATOM 903 CG2 THR A 62 -4.394 0.758 -10.171 1.00 0.65 C ATOM 0 H THR A 62 -3.075 4.656 -11.373 1.00 0.53 H new ATOM 0 HA THR A 62 -3.814 3.034 -9.033 1.00 0.52 H new ATOM 0 HB THR A 62 -3.482 1.827 -11.782 1.00 0.58 H new ATOM 0 HG1 THR A 62 -5.831 1.914 -11.959 1.00 0.65 H new ATOM 0 HG21 THR A 62 -4.905 0.048 -10.822 1.00 0.65 H new ATOM 0 HG22 THR A 62 -3.448 0.330 -9.840 1.00 0.65 H new ATOM 0 HG23 THR A 62 -5.019 0.970 -9.304 1.00 0.65 H new ATOM 911 N ILE A 63 -1.498 2.171 -8.854 1.00 0.47 N ATOM 912 CA ILE A 63 -0.107 1.777 -8.660 1.00 0.46 C ATOM 913 C ILE A 63 -0.029 0.278 -8.383 1.00 0.50 C ATOM 914 O ILE A 63 -0.613 -0.205 -7.410 1.00 0.48 O ATOM 915 CB ILE A 63 0.574 2.587 -7.513 1.00 0.43 C ATOM 916 CG1 ILE A 63 1.294 3.822 -8.095 1.00 0.44 C ATOM 917 CG2 ILE A 63 1.538 1.719 -6.704 1.00 0.45 C ATOM 918 CD1 ILE A 63 2.509 4.267 -7.304 1.00 0.42 C ATOM 0 H ILE A 63 -2.106 1.969 -8.060 1.00 0.47 H new ATOM 0 HA ILE A 63 0.438 2.003 -9.576 1.00 0.46 H new ATOM 0 HB ILE A 63 -0.203 2.924 -6.827 1.00 0.43 H new ATOM 0 HG12 ILE A 63 1.602 3.600 -9.117 1.00 0.44 H new ATOM 0 HG13 ILE A 63 0.586 4.649 -8.147 1.00 0.44 H new ATOM 0 HG21 ILE A 63 1.992 2.318 -5.915 1.00 0.45 H new ATOM 0 HG22 ILE A 63 0.992 0.887 -6.259 1.00 0.45 H new ATOM 0 HG23 ILE A 63 2.318 1.332 -7.360 1.00 0.45 H new ATOM 0 HD11 ILE A 63 2.954 5.140 -7.782 1.00 0.42 H new ATOM 0 HD12 ILE A 63 2.208 4.523 -6.288 1.00 0.42 H new ATOM 0 HD13 ILE A 63 3.239 3.458 -7.273 1.00 0.42 H new ATOM 930 N ASP A 64 0.659 -0.440 -9.260 1.00 0.57 N ATOM 931 CA ASP A 64 0.823 -1.884 -9.118 1.00 0.64 C ATOM 932 C ASP A 64 2.189 -2.191 -8.500 1.00 0.65 C ATOM 933 O ASP A 64 2.905 -1.266 -8.101 1.00 0.61 O ATOM 934 CB ASP A 64 0.684 -2.570 -10.481 1.00 0.70 C ATOM 935 CG ASP A 64 0.130 -3.985 -10.386 1.00 0.82 C ATOM 936 OD1 ASP A 64 0.817 -4.863 -9.821 1.00 0.95 O ATOM 937 OD2 ASP A 64 -0.987 -4.227 -10.887 1.00 1.09 O ATOM 0 H ASP A 64 1.116 -0.045 -10.082 1.00 0.57 H new ATOM 0 HA ASP A 64 0.044 -2.269 -8.460 1.00 0.64 H new ATOM 0 HB2 ASP A 64 0.030 -1.973 -11.116 1.00 0.70 H new ATOM 0 HB3 ASP A 64 1.659 -2.600 -10.967 1.00 0.70 H new ATOM 942 N PHE A 65 2.549 -3.472 -8.447 1.00 0.73 N ATOM 943 CA PHE A 65 3.827 -3.916 -7.875 1.00 0.77 C ATOM 944 C PHE A 65 5.020 -3.162 -8.473 1.00 0.75 C ATOM 945 O PHE A 65 5.795 -2.579 -7.721 1.00 0.75 O ATOM 946 CB PHE A 65 4.012 -5.436 -8.041 1.00 0.88 C ATOM 947 CG PHE A 65 3.909 -6.206 -6.749 1.00 1.13 C ATOM 948 CD1 PHE A 65 4.844 -6.020 -5.743 1.00 1.38 C ATOM 949 CD2 PHE A 65 2.887 -7.117 -6.545 1.00 1.40 C ATOM 950 CE1 PHE A 65 4.762 -6.725 -4.557 1.00 1.68 C ATOM 951 CE2 PHE A 65 2.801 -7.829 -5.360 1.00 1.70 C ATOM 952 CZ PHE A 65 3.739 -7.630 -4.367 1.00 1.78 C ATOM 0 H PHE A 65 1.967 -4.233 -8.797 1.00 0.73 H new ATOM 0 HA PHE A 65 3.793 -3.685 -6.810 1.00 0.77 H new ATOM 0 HB2 PHE A 65 3.261 -5.810 -8.737 1.00 0.88 H new ATOM 0 HB3 PHE A 65 4.987 -5.627 -8.490 1.00 0.88 H new ATOM 0 HD1 PHE A 65 5.648 -5.314 -5.888 1.00 1.38 H new ATOM 0 HD2 PHE A 65 2.149 -7.274 -7.318 1.00 1.40 H new ATOM 0 HE1 PHE A 65 5.497 -6.568 -3.781 1.00 1.68 H new ATOM 0 HE2 PHE A 65 2.001 -8.539 -5.213 1.00 1.70 H new ATOM 0 HZ PHE A 65 3.672 -8.183 -3.442 1.00 1.78 H new ATOM 962 N PRO A 66 5.196 -3.155 -9.815 1.00 0.76 N ATOM 963 CA PRO A 66 6.305 -2.446 -10.459 1.00 0.78 C ATOM 964 C PRO A 66 6.446 -1.011 -9.963 1.00 0.73 C ATOM 965 O PRO A 66 7.551 -0.562 -9.660 1.00 0.77 O ATOM 966 CB PRO A 66 5.928 -2.456 -11.942 1.00 0.79 C ATOM 967 CG PRO A 66 4.532 -2.983 -12.020 1.00 0.77 C ATOM 968 CD PRO A 66 4.360 -3.844 -10.813 1.00 0.79 C ATOM 0 HA PRO A 66 7.263 -2.920 -10.244 1.00 0.78 H new ATOM 0 HB2 PRO A 66 5.988 -1.453 -12.365 1.00 0.79 H new ATOM 0 HB3 PRO A 66 6.612 -3.084 -12.512 1.00 0.79 H new ATOM 0 HG2 PRO A 66 3.806 -2.170 -12.028 1.00 0.77 H new ATOM 0 HG3 PRO A 66 4.380 -3.556 -12.935 1.00 0.77 H new ATOM 0 HD2 PRO A 66 3.318 -3.902 -10.500 1.00 0.79 H new ATOM 0 HD3 PRO A 66 4.697 -4.865 -10.991 1.00 0.79 H new ATOM 976 N GLU A 67 5.313 -0.322 -9.863 1.00 0.66 N ATOM 977 CA GLU A 67 5.284 1.064 -9.411 1.00 0.62 C ATOM 978 C GLU A 67 5.633 1.150 -7.932 1.00 0.62 C ATOM 979 O GLU A 67 6.455 1.962 -7.533 1.00 0.64 O ATOM 980 CB GLU A 67 3.903 1.677 -9.655 1.00 0.58 C ATOM 981 CG GLU A 67 3.584 1.928 -11.119 1.00 0.60 C ATOM 982 CD GLU A 67 2.093 2.036 -11.370 1.00 0.54 C ATOM 983 OE1 GLU A 67 1.457 0.999 -11.643 1.00 0.61 O ATOM 984 OE2 GLU A 67 1.545 3.165 -11.303 1.00 0.52 O ATOM 0 H GLU A 67 4.396 -0.706 -10.091 1.00 0.66 H new ATOM 0 HA GLU A 67 6.025 1.624 -9.981 1.00 0.62 H new ATOM 0 HB2 GLU A 67 3.145 1.014 -9.238 1.00 0.58 H new ATOM 0 HB3 GLU A 67 3.835 2.620 -9.113 1.00 0.58 H new ATOM 0 HG2 GLU A 67 4.073 2.847 -11.443 1.00 0.60 H new ATOM 0 HG3 GLU A 67 3.995 1.118 -11.722 1.00 0.60 H new ATOM 991 N PHE A 68 5.007 0.291 -7.128 1.00 0.60 N ATOM 992 CA PHE A 68 5.224 0.269 -5.678 1.00 0.59 C ATOM 993 C PHE A 68 6.687 0.013 -5.337 1.00 0.63 C ATOM 994 O PHE A 68 7.245 0.628 -4.423 1.00 0.67 O ATOM 995 CB PHE A 68 4.334 -0.797 -5.025 1.00 0.60 C ATOM 996 CG PHE A 68 4.311 -0.744 -3.521 1.00 0.58 C ATOM 997 CD1 PHE A 68 3.577 0.227 -2.866 1.00 0.55 C ATOM 998 CD2 PHE A 68 5.013 -1.674 -2.771 1.00 0.71 C ATOM 999 CE1 PHE A 68 3.540 0.275 -1.489 1.00 0.62 C ATOM 1000 CE2 PHE A 68 4.982 -1.632 -1.390 1.00 0.77 C ATOM 1001 CZ PHE A 68 4.245 -0.658 -0.748 1.00 0.71 C ATOM 0 H PHE A 68 4.339 -0.406 -7.458 1.00 0.60 H new ATOM 0 HA PHE A 68 4.955 1.250 -5.285 1.00 0.59 H new ATOM 0 HB2 PHE A 68 3.316 -0.682 -5.397 1.00 0.60 H new ATOM 0 HB3 PHE A 68 4.678 -1.783 -5.338 1.00 0.60 H new ATOM 0 HD1 PHE A 68 3.026 0.957 -3.440 1.00 0.55 H new ATOM 0 HD2 PHE A 68 5.590 -2.439 -3.270 1.00 0.71 H new ATOM 0 HE1 PHE A 68 2.962 1.039 -0.989 1.00 0.62 H new ATOM 0 HE2 PHE A 68 5.534 -2.360 -0.814 1.00 0.77 H new ATOM 0 HZ PHE A 68 4.218 -0.624 0.331 1.00 0.71 H new ATOM 1011 N LEU A 69 7.302 -0.895 -6.088 1.00 0.66 N ATOM 1012 CA LEU A 69 8.704 -1.245 -5.890 1.00 0.72 C ATOM 1013 C LEU A 69 9.603 -0.017 -6.006 1.00 0.76 C ATOM 1014 O LEU A 69 10.606 0.096 -5.304 1.00 0.82 O ATOM 1015 CB LEU A 69 9.142 -2.305 -6.905 1.00 0.75 C ATOM 1016 CG LEU A 69 8.495 -3.683 -6.728 1.00 0.79 C ATOM 1017 CD1 LEU A 69 8.837 -4.600 -7.894 1.00 0.82 C ATOM 1018 CD2 LEU A 69 8.923 -4.311 -5.409 1.00 0.90 C ATOM 0 H LEU A 69 6.847 -1.405 -6.845 1.00 0.66 H new ATOM 0 HA LEU A 69 8.803 -1.651 -4.883 1.00 0.72 H new ATOM 0 HB2 LEU A 69 8.916 -1.941 -7.907 1.00 0.75 H new ATOM 0 HB3 LEU A 69 10.224 -2.419 -6.844 1.00 0.75 H new ATOM 0 HG LEU A 69 7.414 -3.548 -6.711 1.00 0.79 H new ATOM 0 HD11 LEU A 69 8.366 -5.571 -7.744 1.00 0.82 H new ATOM 0 HD12 LEU A 69 8.473 -4.160 -8.822 1.00 0.82 H new ATOM 0 HD13 LEU A 69 9.918 -4.727 -7.952 1.00 0.82 H new ATOM 0 HD21 LEU A 69 8.453 -5.289 -5.302 1.00 0.90 H new ATOM 0 HD22 LEU A 69 10.007 -4.426 -5.395 1.00 0.90 H new ATOM 0 HD23 LEU A 69 8.616 -3.669 -4.584 1.00 0.90 H new ATOM 1030 N THR A 70 9.235 0.898 -6.891 1.00 0.75 N ATOM 1031 CA THR A 70 9.999 2.117 -7.102 1.00 0.82 C ATOM 1032 C THR A 70 9.556 3.216 -6.128 1.00 0.78 C ATOM 1033 O THR A 70 10.382 3.977 -5.623 1.00 0.98 O ATOM 1034 CB THR A 70 9.835 2.625 -8.546 1.00 0.89 C ATOM 1035 OG1 THR A 70 9.674 1.523 -9.445 1.00 0.95 O ATOM 1036 CG2 THR A 70 11.035 3.443 -8.978 1.00 1.02 C ATOM 0 H THR A 70 8.405 0.817 -7.478 1.00 0.75 H new ATOM 0 HA THR A 70 11.048 1.880 -6.922 1.00 0.82 H new ATOM 0 HB THR A 70 8.948 3.257 -8.574 1.00 0.89 H new ATOM 0 HG1 THR A 70 9.569 1.859 -10.359 1.00 0.95 H new ATOM 0 HG21 THR A 70 10.891 3.788 -10.002 1.00 1.02 H new ATOM 0 HG22 THR A 70 11.146 4.303 -8.317 1.00 1.02 H new ATOM 0 HG23 THR A 70 11.933 2.827 -8.926 1.00 1.02 H new ATOM 1044 N MET A 71 8.249 3.272 -5.868 1.00 0.69 N ATOM 1045 CA MET A 71 7.660 4.271 -4.972 1.00 0.66 C ATOM 1046 C MET A 71 8.250 4.184 -3.566 1.00 0.66 C ATOM 1047 O MET A 71 8.645 5.190 -2.983 1.00 0.69 O ATOM 1048 CB MET A 71 6.131 4.097 -4.923 1.00 0.67 C ATOM 1049 CG MET A 71 5.446 4.906 -3.831 1.00 0.68 C ATOM 1050 SD MET A 71 5.182 6.627 -4.302 1.00 0.63 S ATOM 1051 CE MET A 71 4.594 7.306 -2.751 1.00 0.67 C ATOM 0 H MET A 71 7.569 2.628 -6.271 1.00 0.69 H new ATOM 0 HA MET A 71 7.898 5.259 -5.367 1.00 0.66 H new ATOM 0 HB2 MET A 71 5.713 4.383 -5.888 1.00 0.67 H new ATOM 0 HB3 MET A 71 5.901 3.042 -4.776 1.00 0.67 H new ATOM 0 HG2 MET A 71 4.486 4.447 -3.593 1.00 0.68 H new ATOM 0 HG3 MET A 71 6.050 4.870 -2.925 1.00 0.68 H new ATOM 0 HE1 MET A 71 3.873 8.098 -2.951 1.00 0.67 H new ATOM 0 HE2 MET A 71 4.116 6.519 -2.167 1.00 0.67 H new ATOM 0 HE3 MET A 71 5.435 7.714 -2.190 1.00 0.67 H new ATOM 1061 N MET A 72 8.336 2.977 -3.032 1.00 0.71 N ATOM 1062 CA MET A 72 8.875 2.779 -1.689 1.00 0.77 C ATOM 1063 C MET A 72 10.387 2.563 -1.725 1.00 0.84 C ATOM 1064 O MET A 72 10.940 1.876 -0.868 1.00 0.99 O ATOM 1065 CB MET A 72 8.189 1.599 -0.992 1.00 0.84 C ATOM 1066 CG MET A 72 7.025 2.004 -0.102 1.00 0.79 C ATOM 1067 SD MET A 72 5.771 2.948 -0.988 1.00 0.65 S ATOM 1068 CE MET A 72 4.665 3.403 0.338 1.00 0.64 C ATOM 0 H MET A 72 8.042 2.121 -3.502 1.00 0.71 H new ATOM 0 HA MET A 72 8.673 3.685 -1.118 1.00 0.77 H new ATOM 0 HB2 MET A 72 7.830 0.901 -1.748 1.00 0.84 H new ATOM 0 HB3 MET A 72 8.926 1.066 -0.391 1.00 0.84 H new ATOM 0 HG2 MET A 72 6.569 1.110 0.323 1.00 0.79 H new ATOM 0 HG3 MET A 72 7.399 2.597 0.732 1.00 0.79 H new ATOM 0 HE1 MET A 72 3.821 3.961 -0.067 1.00 0.64 H new ATOM 0 HE2 MET A 72 4.301 2.503 0.833 1.00 0.64 H new ATOM 0 HE3 MET A 72 5.197 4.023 1.059 1.00 0.64 H new ATOM 1078 N ALA A 73 11.050 3.149 -2.720 1.00 0.92 N ATOM 1079 CA ALA A 73 12.495 3.033 -2.863 1.00 0.99 C ATOM 1080 C ALA A 73 13.104 4.387 -3.212 1.00 1.02 C ATOM 1081 O ALA A 73 14.060 4.837 -2.569 1.00 1.21 O ATOM 1082 CB ALA A 73 12.852 2.004 -3.923 1.00 1.06 C ATOM 0 H ALA A 73 10.603 3.713 -3.443 1.00 0.92 H new ATOM 0 HA ALA A 73 12.907 2.699 -1.911 1.00 0.99 H new ATOM 0 HB1 ALA A 73 13.936 1.935 -4.012 1.00 1.06 H new ATOM 0 HB2 ALA A 73 12.448 1.033 -3.638 1.00 1.06 H new ATOM 0 HB3 ALA A 73 12.428 2.306 -4.881 1.00 1.06 H new ATOM 1088 N ARG A 74 12.531 5.044 -4.216 1.00 0.99 N ATOM 1089 CA ARG A 74 13.004 6.349 -4.654 1.00 1.04 C ATOM 1090 C ARG A 74 12.544 7.420 -3.676 1.00 0.99 C ATOM 1091 O ARG A 74 11.469 7.992 -3.832 1.00 1.02 O ATOM 1092 CB ARG A 74 12.479 6.660 -6.057 1.00 1.13 C ATOM 1093 CG ARG A 74 13.525 7.221 -7.011 1.00 1.37 C ATOM 1094 CD ARG A 74 14.151 8.500 -6.472 1.00 1.71 C ATOM 1095 NE ARG A 74 13.148 9.510 -6.129 1.00 1.78 N ATOM 1096 CZ ARG A 74 13.428 10.795 -5.910 1.00 2.20 C ATOM 1097 NH1 ARG A 74 14.669 11.235 -6.043 1.00 2.56 N ATOM 1098 NH2 ARG A 74 12.464 11.645 -5.572 1.00 2.56 N ATOM 0 H ARG A 74 11.733 4.689 -4.743 1.00 0.99 H new ATOM 0 HA ARG A 74 14.094 6.337 -4.684 1.00 1.04 H new ATOM 0 HB2 ARG A 74 12.065 5.748 -6.487 1.00 1.13 H new ATOM 0 HB3 ARG A 74 11.660 7.374 -5.975 1.00 1.13 H new ATOM 0 HG2 ARG A 74 14.304 6.476 -7.176 1.00 1.37 H new ATOM 0 HG3 ARG A 74 13.065 7.421 -7.979 1.00 1.37 H new ATOM 0 HD2 ARG A 74 14.745 8.266 -5.588 1.00 1.71 H new ATOM 0 HD3 ARG A 74 14.835 8.909 -7.216 1.00 1.71 H new ATOM 0 HE ARG A 74 12.175 9.212 -6.053 1.00 1.78 H new ATOM 0 HH11 ARG A 74 15.412 10.591 -6.313 1.00 2.56 H new ATOM 0 HH12 ARG A 74 14.882 12.218 -5.875 1.00 2.56 H new ATOM 0 HH21 ARG A 74 11.503 11.316 -5.479 1.00 2.56 H new ATOM 0 HH22 ARG A 74 12.685 12.627 -5.406 1.00 2.56 H new ATOM 1112 N LYS A 75 13.362 7.683 -2.673 1.00 1.13 N ATOM 1113 CA LYS A 75 13.031 8.677 -1.669 1.00 1.20 C ATOM 1114 C LYS A 75 13.749 9.989 -1.957 1.00 1.26 C ATOM 1115 O LYS A 75 14.768 10.011 -2.650 1.00 1.34 O ATOM 1116 CB LYS A 75 13.398 8.169 -0.271 1.00 1.29 C ATOM 1117 CG LYS A 75 14.899 8.080 -0.005 1.00 1.61 C ATOM 1118 CD LYS A 75 15.191 7.612 1.426 1.00 1.88 C ATOM 1119 CE LYS A 75 14.563 8.526 2.477 1.00 2.51 C ATOM 1120 NZ LYS A 75 15.121 9.905 2.427 1.00 3.25 N ATOM 0 H LYS A 75 14.261 7.222 -2.532 1.00 1.13 H new ATOM 0 HA LYS A 75 11.956 8.855 -1.705 1.00 1.20 H new ATOM 0 HB2 LYS A 75 12.948 8.829 0.471 1.00 1.29 H new ATOM 0 HB3 LYS A 75 12.957 7.182 -0.129 1.00 1.29 H new ATOM 0 HG2 LYS A 75 15.355 7.389 -0.715 1.00 1.61 H new ATOM 0 HG3 LYS A 75 15.357 9.055 -0.170 1.00 1.61 H new ATOM 0 HD2 LYS A 75 14.813 6.598 1.558 1.00 1.88 H new ATOM 0 HD3 LYS A 75 16.269 7.573 1.580 1.00 1.88 H new ATOM 0 HE2 LYS A 75 13.485 8.566 2.324 1.00 2.51 H new ATOM 0 HE3 LYS A 75 14.728 8.104 3.468 1.00 2.51 H new ATOM 0 HZ1 LYS A 75 14.704 10.476 3.189 1.00 3.25 H new ATOM 0 HZ2 LYS A 75 16.153 9.866 2.548 1.00 3.25 H new ATOM 0 HZ3 LYS A 75 14.896 10.337 1.508 1.00 3.25 H new ATOM 1134 N MET A 76 13.217 11.079 -1.421 1.00 1.32 N ATOM 1135 CA MET A 76 13.798 12.396 -1.625 1.00 1.43 C ATOM 1136 C MET A 76 14.973 12.625 -0.676 1.00 1.44 C ATOM 1137 O MET A 76 15.123 11.921 0.324 1.00 1.49 O ATOM 1138 CB MET A 76 12.738 13.477 -1.426 1.00 1.57 C ATOM 1139 CG MET A 76 11.532 13.329 -2.350 1.00 1.80 C ATOM 1140 SD MET A 76 10.316 12.127 -1.761 1.00 2.45 S ATOM 1141 CE MET A 76 9.946 12.807 -0.142 1.00 2.59 C ATOM 0 H MET A 76 12.379 11.075 -0.839 1.00 1.32 H new ATOM 0 HA MET A 76 14.170 12.451 -2.648 1.00 1.43 H new ATOM 0 HB2 MET A 76 12.397 13.453 -0.391 1.00 1.57 H new ATOM 0 HB3 MET A 76 13.193 14.454 -1.590 1.00 1.57 H new ATOM 0 HG2 MET A 76 11.048 14.299 -2.461 1.00 1.80 H new ATOM 0 HG3 MET A 76 11.877 13.030 -3.340 1.00 1.80 H new ATOM 0 HE1 MET A 76 8.890 12.657 0.083 1.00 2.59 H new ATOM 0 HE2 MET A 76 10.553 12.304 0.611 1.00 2.59 H new ATOM 0 HE3 MET A 76 10.170 13.874 -0.136 1.00 2.59 H new ATOM 1151 N LYS A 77 15.796 13.611 -0.993 1.00 1.50 N ATOM 1152 CA LYS A 77 16.965 13.915 -0.183 1.00 1.56 C ATOM 1153 C LYS A 77 16.706 15.073 0.781 1.00 1.66 C ATOM 1154 O LYS A 77 17.550 15.402 1.615 1.00 2.06 O ATOM 1155 CB LYS A 77 18.144 14.228 -1.100 1.00 1.64 C ATOM 1156 CG LYS A 77 18.381 13.152 -2.157 1.00 1.64 C ATOM 1157 CD LYS A 77 18.897 13.741 -3.465 1.00 1.91 C ATOM 1158 CE LYS A 77 18.743 12.763 -4.630 1.00 2.08 C ATOM 1159 NZ LYS A 77 19.655 11.590 -4.516 1.00 2.45 N ATOM 0 H LYS A 77 15.676 14.215 -1.806 1.00 1.50 H new ATOM 0 HA LYS A 77 17.197 13.042 0.428 1.00 1.56 H new ATOM 0 HB2 LYS A 77 17.968 15.183 -1.595 1.00 1.64 H new ATOM 0 HB3 LYS A 77 19.045 14.342 -0.498 1.00 1.64 H new ATOM 0 HG2 LYS A 77 19.099 12.424 -1.779 1.00 1.64 H new ATOM 0 HG3 LYS A 77 17.451 12.615 -2.343 1.00 1.64 H new ATOM 0 HD2 LYS A 77 18.355 14.660 -3.688 1.00 1.91 H new ATOM 0 HD3 LYS A 77 19.947 14.010 -3.353 1.00 1.91 H new ATOM 0 HE2 LYS A 77 17.711 12.414 -4.673 1.00 2.08 H new ATOM 0 HE3 LYS A 77 18.942 13.284 -5.566 1.00 2.08 H new ATOM 0 HZ1 LYS A 77 19.511 10.958 -5.330 1.00 2.45 H new ATOM 0 HZ2 LYS A 77 20.642 11.918 -4.502 1.00 2.45 H new ATOM 0 HZ3 LYS A 77 19.449 11.074 -3.637 1.00 2.45 H new ATOM 1173 N ASP A 78 15.543 15.701 0.653 1.00 1.54 N ATOM 1174 CA ASP A 78 15.188 16.811 1.528 1.00 1.63 C ATOM 1175 C ASP A 78 14.628 16.272 2.834 1.00 1.72 C ATOM 1176 O ASP A 78 14.601 15.061 3.055 1.00 1.77 O ATOM 1177 CB ASP A 78 14.152 17.743 0.884 1.00 1.67 C ATOM 1178 CG ASP A 78 14.456 18.063 -0.562 1.00 1.81 C ATOM 1179 OD1 ASP A 78 15.443 18.778 -0.827 1.00 2.35 O ATOM 1180 OD2 ASP A 78 13.709 17.593 -1.449 1.00 1.95 O ATOM 0 H ASP A 78 14.835 15.463 -0.042 1.00 1.54 H new ATOM 0 HA ASP A 78 16.095 17.388 1.710 1.00 1.63 H new ATOM 0 HB2 ASP A 78 13.167 17.280 0.948 1.00 1.67 H new ATOM 0 HB3 ASP A 78 14.105 18.672 1.453 1.00 1.67 H new ATOM 1185 N THR A 79 14.176 17.162 3.696 1.00 1.95 N ATOM 1186 CA THR A 79 13.614 16.762 4.975 1.00 2.15 C ATOM 1187 C THR A 79 12.096 16.653 4.880 1.00 2.00 C ATOM 1188 O THR A 79 11.438 17.555 4.367 1.00 2.13 O ATOM 1189 CB THR A 79 14.007 17.768 6.078 1.00 2.65 C ATOM 1190 OG1 THR A 79 15.364 18.183 5.874 1.00 2.87 O ATOM 1191 CG2 THR A 79 13.885 17.144 7.456 1.00 3.14 C ATOM 0 H THR A 79 14.186 18.169 3.535 1.00 1.95 H new ATOM 0 HA THR A 79 14.019 15.784 5.236 1.00 2.15 H new ATOM 0 HB THR A 79 13.332 18.622 6.021 1.00 2.65 H new ATOM 0 HG1 THR A 79 15.618 18.823 6.571 1.00 2.87 H new ATOM 0 HG21 THR A 79 14.168 17.875 8.213 1.00 3.14 H new ATOM 0 HG22 THR A 79 12.855 16.829 7.623 1.00 3.14 H new ATOM 0 HG23 THR A 79 14.544 16.279 7.523 1.00 3.14 H new ATOM 1199 N ASP A 80 11.552 15.537 5.340 1.00 2.01 N ATOM 1200 CA ASP A 80 10.115 15.314 5.305 1.00 2.07 C ATOM 1201 C ASP A 80 9.560 15.242 6.718 1.00 2.26 C ATOM 1202 O ASP A 80 10.342 14.932 7.640 1.00 2.49 O ATOM 1203 CB ASP A 80 9.790 14.031 4.526 1.00 2.36 C ATOM 1204 CG ASP A 80 9.971 12.763 5.341 1.00 2.79 C ATOM 1205 OD1 ASP A 80 11.120 12.261 5.419 1.00 2.99 O ATOM 1206 OD2 ASP A 80 8.972 12.262 5.907 1.00 3.21 O ATOM 1207 OXT ASP A 80 8.355 15.523 6.912 1.00 2.37 O ATOM 0 H ASP A 80 12.087 14.768 5.744 1.00 2.01 H new ATOM 0 HA ASP A 80 9.643 16.152 4.792 1.00 2.07 H new ATOM 0 HB2 ASP A 80 8.760 14.082 4.172 1.00 2.36 H new ATOM 0 HB3 ASP A 80 10.428 13.980 3.644 1.00 2.36 H new TER 1212 ASP A 80 ATOM 1213 N ARG B 287 4.138 15.772 0.097 1.00 0.99 N ATOM 1214 CA ARG B 287 3.557 15.185 -1.127 1.00 0.79 C ATOM 1215 C ARG B 287 2.962 13.816 -0.799 1.00 0.66 C ATOM 1216 O ARG B 287 3.028 13.367 0.352 1.00 0.65 O ATOM 1217 CB ARG B 287 4.635 15.083 -2.223 1.00 0.87 C ATOM 1218 CG ARG B 287 4.076 14.854 -3.631 1.00 0.86 C ATOM 1219 CD ARG B 287 5.127 15.066 -4.706 1.00 1.18 C ATOM 1220 NE ARG B 287 4.554 15.687 -5.906 1.00 1.77 N ATOM 1221 CZ ARG B 287 4.326 15.046 -7.063 1.00 2.50 C ATOM 1222 NH1 ARG B 287 4.548 13.742 -7.171 1.00 2.87 N ATOM 1223 NH2 ARG B 287 3.851 15.705 -8.113 1.00 3.11 N ATOM 0 HA ARG B 287 2.759 15.825 -1.504 1.00 0.79 H new ATOM 0 HB2 ARG B 287 5.226 15.999 -2.223 1.00 0.87 H new ATOM 0 HB3 ARG B 287 5.313 14.266 -1.976 1.00 0.87 H new ATOM 0 HG2 ARG B 287 3.683 13.840 -3.704 1.00 0.86 H new ATOM 0 HG3 ARG B 287 3.240 15.532 -3.803 1.00 0.86 H new ATOM 0 HD2 ARG B 287 5.926 15.696 -4.315 1.00 1.18 H new ATOM 0 HD3 ARG B 287 5.577 14.109 -4.970 1.00 1.18 H new ATOM 0 HE ARG B 287 4.312 16.677 -5.857 1.00 1.77 H new ATOM 0 HH11 ARG B 287 4.896 13.216 -6.369 1.00 2.87 H new ATOM 0 HH12 ARG B 287 4.371 13.266 -8.056 1.00 2.87 H new ATOM 0 HH21 ARG B 287 3.657 16.704 -8.043 1.00 3.11 H new ATOM 0 HH22 ARG B 287 3.680 15.212 -8.990 1.00 3.11 H new ATOM 1239 N ALA B 288 2.364 13.159 -1.790 1.00 0.60 N ATOM 1240 CA ALA B 288 1.763 11.836 -1.602 1.00 0.51 C ATOM 1241 C ALA B 288 2.791 10.816 -1.142 1.00 0.50 C ATOM 1242 O ALA B 288 2.456 9.824 -0.505 1.00 0.48 O ATOM 1243 CB ALA B 288 1.126 11.379 -2.895 1.00 0.54 C ATOM 0 H ALA B 288 2.281 13.523 -2.739 1.00 0.60 H new ATOM 0 HA ALA B 288 1.003 11.917 -0.825 1.00 0.51 H new ATOM 0 HB1 ALA B 288 0.680 10.395 -2.753 1.00 0.54 H new ATOM 0 HB2 ALA B 288 0.353 12.089 -3.191 1.00 0.54 H new ATOM 0 HB3 ALA B 288 1.885 11.324 -3.675 1.00 0.54 H new ATOM 1249 N ALA B 289 4.055 11.083 -1.442 1.00 0.54 N ATOM 1250 CA ALA B 289 5.143 10.196 -1.064 1.00 0.57 C ATOM 1251 C ALA B 289 5.299 10.194 0.446 1.00 0.58 C ATOM 1252 O ALA B 289 6.121 9.461 0.951 1.00 0.65 O ATOM 1253 CB ALA B 289 6.441 10.589 -1.790 1.00 0.65 C ATOM 0 H ALA B 289 4.352 11.915 -1.951 1.00 0.54 H new ATOM 0 HA ALA B 289 4.909 9.177 -1.374 1.00 0.57 H new ATOM 0 HB1 ALA B 289 7.243 9.913 -1.493 1.00 0.65 H new ATOM 0 HB2 ALA B 289 6.290 10.522 -2.867 1.00 0.65 H new ATOM 0 HB3 ALA B 289 6.711 11.611 -1.524 1.00 0.65 H new ATOM 1259 N ASN B 290 4.633 11.136 1.128 1.00 0.56 N ATOM 1260 CA ASN B 290 4.608 11.166 2.602 1.00 0.58 C ATOM 1261 C ASN B 290 3.305 10.566 3.144 1.00 0.53 C ATOM 1262 O ASN B 290 3.292 9.857 4.169 1.00 0.53 O ATOM 1263 CB ASN B 290 4.807 12.602 3.087 1.00 0.66 C ATOM 1264 CG ASN B 290 5.949 13.259 2.332 1.00 0.74 C ATOM 1265 OD1 ASN B 290 5.755 13.810 1.244 1.00 0.76 O ATOM 1266 ND2 ASN B 290 7.147 13.174 2.886 1.00 0.87 N ATOM 0 H ASN B 290 4.104 11.888 0.686 1.00 0.56 H new ATOM 0 HA ASN B 290 5.424 10.553 2.984 1.00 0.58 H new ATOM 0 HB2 ASN B 290 3.890 13.173 2.942 1.00 0.66 H new ATOM 0 HB3 ASN B 290 5.019 12.606 4.156 1.00 0.66 H new ATOM 0 HD21 ASN B 290 7.957 13.573 2.412 1.00 0.87 H new ATOM 0 HD22 ASN B 290 7.260 12.709 3.787 1.00 0.87 H new ATOM 1273 N LEU B 291 2.211 10.802 2.407 1.00 0.51 N ATOM 1274 CA LEU B 291 0.858 10.348 2.776 1.00 0.48 C ATOM 1275 C LEU B 291 0.677 8.888 2.424 1.00 0.46 C ATOM 1276 O LEU B 291 -0.367 8.320 2.664 1.00 0.71 O ATOM 1277 CB LEU B 291 -0.207 11.239 2.115 1.00 0.50 C ATOM 1278 CG LEU B 291 -0.546 12.511 2.911 1.00 0.58 C ATOM 1279 CD1 LEU B 291 0.538 13.570 2.740 1.00 1.37 C ATOM 1280 CD2 LEU B 291 -1.900 13.073 2.514 1.00 1.18 C ATOM 0 H LEU B 291 2.238 11.319 1.528 1.00 0.51 H new ATOM 0 HA LEU B 291 0.733 10.440 3.855 1.00 0.48 H new ATOM 0 HB2 LEU B 291 0.141 11.526 1.123 1.00 0.50 H new ATOM 0 HB3 LEU B 291 -1.118 10.656 1.977 1.00 0.50 H new ATOM 0 HG LEU B 291 -0.593 12.230 3.963 1.00 0.58 H new ATOM 0 HD11 LEU B 291 0.273 14.458 3.313 1.00 1.37 H new ATOM 0 HD12 LEU B 291 1.490 13.178 3.098 1.00 1.37 H new ATOM 0 HD13 LEU B 291 0.628 13.832 1.686 1.00 1.37 H new ATOM 0 HD21 LEU B 291 -2.106 13.971 3.097 1.00 1.18 H new ATOM 0 HD22 LEU B 291 -1.894 13.322 1.453 1.00 1.18 H new ATOM 0 HD23 LEU B 291 -2.673 12.330 2.707 1.00 1.18 H new ATOM 1292 N TRP B 292 1.652 8.344 1.724 1.00 0.41 N ATOM 1293 CA TRP B 292 1.693 6.922 1.413 1.00 0.39 C ATOM 1294 C TRP B 292 2.507 6.216 2.513 1.00 0.41 C ATOM 1295 O TRP B 292 2.031 5.247 3.114 1.00 0.41 O ATOM 1296 CB TRP B 292 2.289 6.697 0.014 1.00 0.42 C ATOM 1297 CG TRP B 292 1.276 6.762 -1.087 1.00 0.37 C ATOM 1298 CD1 TRP B 292 0.209 7.620 -1.202 1.00 0.36 C ATOM 1299 CD2 TRP B 292 1.249 5.938 -2.236 1.00 0.37 C ATOM 1300 NE1 TRP B 292 -0.460 7.374 -2.366 1.00 0.34 N ATOM 1301 CE2 TRP B 292 0.157 6.346 -3.015 1.00 0.35 C ATOM 1302 CE3 TRP B 292 2.043 4.889 -2.686 1.00 0.40 C ATOM 1303 CZ2 TRP B 292 -0.149 5.752 -4.228 1.00 0.38 C ATOM 1304 CZ3 TRP B 292 1.732 4.297 -3.889 1.00 0.42 C ATOM 1305 CH2 TRP B 292 0.643 4.733 -4.651 1.00 0.42 C ATOM 0 H TRP B 292 2.441 8.873 1.352 1.00 0.41 H new ATOM 0 HA TRP B 292 0.688 6.501 1.393 1.00 0.39 H new ATOM 0 HB2 TRP B 292 3.060 7.446 -0.168 1.00 0.42 H new ATOM 0 HB3 TRP B 292 2.778 5.723 -0.011 1.00 0.42 H new ATOM 0 HD1 TRP B 292 -0.060 8.376 -0.479 1.00 0.36 H new ATOM 0 HE1 TRP B 292 -1.285 7.876 -2.696 1.00 0.34 H new ATOM 0 HE3 TRP B 292 2.886 4.546 -2.104 1.00 0.40 H new ATOM 0 HZ2 TRP B 292 -0.989 6.088 -4.818 1.00 0.38 H new ATOM 0 HZ3 TRP B 292 2.340 3.481 -4.251 1.00 0.42 H new ATOM 0 HH2 TRP B 292 0.428 4.250 -5.593 1.00 0.42 H new ATOM 1316 N PRO B 293 3.768 6.652 2.774 1.00 0.44 N ATOM 1317 CA PRO B 293 4.605 6.111 3.866 1.00 0.48 C ATOM 1318 C PRO B 293 3.867 6.041 5.190 1.00 0.46 C ATOM 1319 O PRO B 293 4.035 5.084 5.937 1.00 0.47 O ATOM 1320 CB PRO B 293 5.749 7.122 3.923 1.00 0.53 C ATOM 1321 CG PRO B 293 5.934 7.431 2.515 1.00 0.54 C ATOM 1322 CD PRO B 293 4.537 7.594 1.978 1.00 0.49 C ATOM 0 HA PRO B 293 4.923 5.084 3.687 1.00 0.48 H new ATOM 0 HB2 PRO B 293 5.487 8.005 4.506 1.00 0.53 H new ATOM 0 HB3 PRO B 293 6.648 6.699 4.372 1.00 0.53 H new ATOM 0 HG2 PRO B 293 6.519 8.341 2.382 1.00 0.54 H new ATOM 0 HG3 PRO B 293 6.466 6.632 2.000 1.00 0.54 H new ATOM 0 HD2 PRO B 293 4.175 8.615 2.099 1.00 0.49 H new ATOM 0 HD3 PRO B 293 4.484 7.361 0.914 1.00 0.49 H new ATOM 1330 N SER B 294 3.043 7.052 5.476 1.00 0.47 N ATOM 1331 CA SER B 294 2.259 7.055 6.705 1.00 0.47 C ATOM 1332 C SER B 294 1.313 5.832 6.690 1.00 0.42 C ATOM 1333 O SER B 294 1.417 4.977 7.566 1.00 0.40 O ATOM 1334 CB SER B 294 1.523 8.405 6.889 1.00 0.53 C ATOM 1335 OG SER B 294 0.445 8.293 7.809 1.00 0.95 O ATOM 0 H SER B 294 2.905 7.868 4.879 1.00 0.47 H new ATOM 0 HA SER B 294 2.910 6.962 7.574 1.00 0.47 H new ATOM 0 HB2 SER B 294 2.227 9.158 7.243 1.00 0.53 H new ATOM 0 HB3 SER B 294 1.146 8.748 5.926 1.00 0.53 H new ATOM 0 HG SER B 294 0.003 9.163 7.903 1.00 0.95 H new ATOM 1341 N PRO B 295 0.360 5.732 5.724 1.00 0.44 N ATOM 1342 CA PRO B 295 -0.507 4.552 5.567 1.00 0.43 C ATOM 1343 C PRO B 295 0.258 3.222 5.631 1.00 0.40 C ATOM 1344 O PRO B 295 -0.215 2.254 6.233 1.00 0.43 O ATOM 1345 CB PRO B 295 -1.091 4.801 4.171 1.00 0.50 C ATOM 1346 CG PRO B 295 -1.308 6.246 4.182 1.00 0.54 C ATOM 1347 CD PRO B 295 -0.063 6.800 4.810 1.00 0.53 C ATOM 0 HA PRO B 295 -1.245 4.450 6.363 1.00 0.43 H new ATOM 0 HB2 PRO B 295 -0.403 4.498 3.382 1.00 0.50 H new ATOM 0 HB3 PRO B 295 -2.019 4.251 4.013 1.00 0.50 H new ATOM 0 HG2 PRO B 295 -1.453 6.635 3.174 1.00 0.54 H new ATOM 0 HG3 PRO B 295 -2.196 6.511 4.756 1.00 0.54 H new ATOM 0 HD2 PRO B 295 0.701 7.017 4.064 1.00 0.53 H new ATOM 0 HD3 PRO B 295 -0.261 7.730 5.343 1.00 0.53 H new ATOM 1355 N LEU B 296 1.439 3.184 5.017 1.00 0.38 N ATOM 1356 CA LEU B 296 2.264 1.978 5.037 1.00 0.37 C ATOM 1357 C LEU B 296 2.796 1.732 6.451 1.00 0.39 C ATOM 1358 O LEU B 296 2.891 0.587 6.906 1.00 0.43 O ATOM 1359 CB LEU B 296 3.426 2.083 4.043 1.00 0.38 C ATOM 1360 CG LEU B 296 4.190 0.777 3.824 1.00 0.43 C ATOM 1361 CD1 LEU B 296 3.435 -0.135 2.870 1.00 0.46 C ATOM 1362 CD2 LEU B 296 5.592 1.060 3.313 1.00 0.56 C ATOM 0 H LEU B 296 1.843 3.967 4.504 1.00 0.38 H new ATOM 0 HA LEU B 296 1.642 1.135 4.736 1.00 0.37 H new ATOM 0 HB2 LEU B 296 3.038 2.428 3.085 1.00 0.38 H new ATOM 0 HB3 LEU B 296 4.123 2.843 4.397 1.00 0.38 H new ATOM 0 HG LEU B 296 4.275 0.263 4.781 1.00 0.43 H new ATOM 0 HD11 LEU B 296 3.997 -1.058 2.728 1.00 0.46 H new ATOM 0 HD12 LEU B 296 2.455 -0.367 3.287 1.00 0.46 H new ATOM 0 HD13 LEU B 296 3.311 0.365 1.910 1.00 0.46 H new ATOM 0 HD21 LEU B 296 6.121 0.119 3.163 1.00 0.56 H new ATOM 0 HD22 LEU B 296 5.533 1.598 2.367 1.00 0.56 H new ATOM 0 HD23 LEU B 296 6.130 1.666 4.042 1.00 0.56 H new ATOM 1374 N MET B 297 3.133 2.817 7.137 1.00 0.39 N ATOM 1375 CA MET B 297 3.617 2.753 8.509 1.00 0.42 C ATOM 1376 C MET B 297 2.509 2.197 9.389 1.00 0.41 C ATOM 1377 O MET B 297 2.752 1.423 10.318 1.00 0.45 O ATOM 1378 CB MET B 297 4.040 4.150 8.987 1.00 0.45 C ATOM 1379 CG MET B 297 4.526 4.188 10.427 1.00 0.81 C ATOM 1380 SD MET B 297 5.323 5.748 10.854 1.00 1.30 S ATOM 1381 CE MET B 297 5.555 5.545 12.615 1.00 1.79 C ATOM 0 H MET B 297 3.079 3.763 6.759 1.00 0.39 H new ATOM 0 HA MET B 297 4.489 2.101 8.567 1.00 0.42 H new ATOM 0 HB2 MET B 297 4.832 4.521 8.337 1.00 0.45 H new ATOM 0 HB3 MET B 297 3.195 4.831 8.881 1.00 0.45 H new ATOM 0 HG2 MET B 297 3.681 4.022 11.095 1.00 0.81 H new ATOM 0 HG3 MET B 297 5.228 3.370 10.591 1.00 0.81 H new ATOM 0 HE1 MET B 297 6.039 6.432 13.023 1.00 1.79 H new ATOM 0 HE2 MET B 297 4.587 5.406 13.096 1.00 1.79 H new ATOM 0 HE3 MET B 297 6.181 4.672 12.801 1.00 1.79 H new ATOM 1391 N ILE B 298 1.284 2.598 9.073 1.00 0.41 N ATOM 1392 CA ILE B 298 0.105 2.122 9.781 1.00 0.43 C ATOM 1393 C ILE B 298 -0.020 0.619 9.584 1.00 0.44 C ATOM 1394 O ILE B 298 -0.318 -0.125 10.520 1.00 0.47 O ATOM 1395 CB ILE B 298 -1.183 2.826 9.267 1.00 0.45 C ATOM 1396 CG1 ILE B 298 -1.157 4.323 9.603 1.00 0.47 C ATOM 1397 CG2 ILE B 298 -2.429 2.171 9.851 1.00 0.50 C ATOM 1398 CD1 ILE B 298 -1.024 4.626 11.085 1.00 0.46 C ATOM 0 H ILE B 298 1.082 3.259 8.323 1.00 0.41 H new ATOM 0 HA ILE B 298 0.217 2.355 10.840 1.00 0.43 H new ATOM 0 HB ILE B 298 -1.215 2.718 8.183 1.00 0.45 H new ATOM 0 HG12 ILE B 298 -0.326 4.789 9.072 1.00 0.47 H new ATOM 0 HG13 ILE B 298 -2.072 4.784 9.230 1.00 0.47 H new ATOM 0 HG21 ILE B 298 -3.317 2.681 9.477 1.00 0.50 H new ATOM 0 HG22 ILE B 298 -2.461 1.122 9.556 1.00 0.50 H new ATOM 0 HG23 ILE B 298 -2.401 2.241 10.938 1.00 0.50 H new ATOM 0 HD11 ILE B 298 -1.013 5.705 11.236 1.00 0.46 H new ATOM 0 HD12 ILE B 298 -1.868 4.193 11.622 1.00 0.46 H new ATOM 0 HD13 ILE B 298 -0.095 4.198 11.462 1.00 0.46 H new ATOM 1410 N LYS B 299 0.243 0.181 8.361 1.00 0.42 N ATOM 1411 CA LYS B 299 0.182 -1.230 8.028 1.00 0.45 C ATOM 1412 C LYS B 299 1.213 -1.995 8.842 1.00 0.45 C ATOM 1413 O LYS B 299 0.926 -3.066 9.368 1.00 0.51 O ATOM 1414 CB LYS B 299 0.429 -1.444 6.531 1.00 0.45 C ATOM 1415 CG LYS B 299 -0.013 -2.814 6.051 1.00 0.44 C ATOM 1416 CD LYS B 299 1.100 -3.585 5.343 1.00 0.45 C ATOM 1417 CE LYS B 299 2.307 -3.812 6.232 1.00 0.45 C ATOM 1418 NZ LYS B 299 3.583 -3.592 5.506 1.00 0.49 N ATOM 0 H LYS B 299 0.501 0.787 7.582 1.00 0.42 H new ATOM 0 HA LYS B 299 -0.814 -1.602 8.268 1.00 0.45 H new ATOM 0 HB2 LYS B 299 -0.102 -0.678 5.967 1.00 0.45 H new ATOM 0 HB3 LYS B 299 1.491 -1.316 6.321 1.00 0.45 H new ATOM 0 HG2 LYS B 299 -0.365 -3.395 6.903 1.00 0.44 H new ATOM 0 HG3 LYS B 299 -0.858 -2.700 5.372 1.00 0.44 H new ATOM 0 HD2 LYS B 299 0.714 -4.548 5.008 1.00 0.45 H new ATOM 0 HD3 LYS B 299 1.407 -3.037 4.452 1.00 0.45 H new ATOM 0 HE2 LYS B 299 2.257 -3.140 7.089 1.00 0.45 H new ATOM 0 HE3 LYS B 299 2.283 -4.829 6.623 1.00 0.45 H new ATOM 0 HZ1 LYS B 299 4.194 -4.426 5.618 1.00 0.49 H new ATOM 0 HZ2 LYS B 299 3.386 -3.440 4.496 1.00 0.49 H new ATOM 0 HZ3 LYS B 299 4.064 -2.756 5.895 1.00 0.49 H new ATOM 1432 N ARG B 300 2.416 -1.439 8.935 1.00 0.43 N ATOM 1433 CA ARG B 300 3.491 -2.068 9.692 1.00 0.47 C ATOM 1434 C ARG B 300 3.129 -2.139 11.171 1.00 0.50 C ATOM 1435 O ARG B 300 3.485 -3.089 11.873 1.00 0.54 O ATOM 1436 CB ARG B 300 4.807 -1.314 9.499 1.00 0.48 C ATOM 1437 CG ARG B 300 5.573 -1.749 8.259 1.00 1.11 C ATOM 1438 CD ARG B 300 6.804 -0.892 8.034 1.00 1.25 C ATOM 1439 NE ARG B 300 7.526 -1.286 6.825 1.00 1.44 N ATOM 1440 CZ ARG B 300 8.698 -0.780 6.454 1.00 1.91 C ATOM 1441 NH1 ARG B 300 9.312 0.110 7.215 1.00 2.30 N ATOM 1442 NH2 ARG B 300 9.269 -1.181 5.333 1.00 2.44 N ATOM 0 H ARG B 300 2.671 -0.554 8.496 1.00 0.43 H new ATOM 0 HA ARG B 300 3.623 -3.083 9.317 1.00 0.47 H new ATOM 0 HB2 ARG B 300 4.600 -0.246 9.433 1.00 0.48 H new ATOM 0 HB3 ARG B 300 5.436 -1.463 10.377 1.00 0.48 H new ATOM 0 HG2 ARG B 300 5.869 -2.793 8.361 1.00 1.11 H new ATOM 0 HG3 ARG B 300 4.921 -1.687 7.388 1.00 1.11 H new ATOM 0 HD2 ARG B 300 6.509 0.155 7.957 1.00 1.25 H new ATOM 0 HD3 ARG B 300 7.466 -0.974 8.896 1.00 1.25 H new ATOM 0 HE ARG B 300 7.103 -1.996 6.227 1.00 1.44 H new ATOM 0 HH11 ARG B 300 8.887 0.412 8.092 1.00 2.30 H new ATOM 0 HH12 ARG B 300 10.211 0.495 6.925 1.00 2.30 H new ATOM 0 HH21 ARG B 300 8.811 -1.881 4.749 1.00 2.44 H new ATOM 0 HH22 ARG B 300 10.168 -0.791 5.051 1.00 2.44 H new ATOM 1456 N SER B 301 2.404 -1.125 11.635 1.00 0.50 N ATOM 1457 CA SER B 301 1.957 -1.070 13.019 1.00 0.55 C ATOM 1458 C SER B 301 0.890 -2.138 13.246 1.00 0.59 C ATOM 1459 O SER B 301 0.817 -2.744 14.320 1.00 0.66 O ATOM 1460 CB SER B 301 1.427 0.333 13.342 1.00 0.56 C ATOM 1461 OG SER B 301 2.420 1.315 13.085 1.00 0.59 O ATOM 0 H SER B 301 2.114 -0.328 11.068 1.00 0.50 H new ATOM 0 HA SER B 301 2.793 -1.271 13.690 1.00 0.55 H new ATOM 0 HB2 SER B 301 0.540 0.539 12.743 1.00 0.56 H new ATOM 0 HB3 SER B 301 1.123 0.381 14.388 1.00 0.56 H new ATOM 0 HG SER B 301 2.569 1.384 12.119 1.00 0.59 H new ATOM 1467 N LYS B 302 0.074 -2.383 12.220 1.00 0.58 N ATOM 1468 CA LYS B 302 -0.959 -3.410 12.297 1.00 0.65 C ATOM 1469 C LYS B 302 -0.315 -4.791 12.157 1.00 0.68 C ATOM 1470 O LYS B 302 -0.820 -5.784 12.679 1.00 0.76 O ATOM 1471 CB LYS B 302 -2.007 -3.190 11.196 1.00 0.66 C ATOM 1472 CG LYS B 302 -3.091 -4.261 11.140 1.00 1.21 C ATOM 1473 CD LYS B 302 -3.987 -4.228 12.370 1.00 1.38 C ATOM 1474 CE LYS B 302 -4.573 -5.599 12.664 1.00 2.10 C ATOM 1475 NZ LYS B 302 -3.526 -6.578 13.065 1.00 2.44 N ATOM 0 H LYS B 302 0.110 -1.885 11.330 1.00 0.58 H new ATOM 0 HA LYS B 302 -1.460 -3.348 13.263 1.00 0.65 H new ATOM 0 HB2 LYS B 302 -2.479 -2.219 11.348 1.00 0.66 H new ATOM 0 HB3 LYS B 302 -1.501 -3.151 10.231 1.00 0.66 H new ATOM 0 HG2 LYS B 302 -3.697 -4.117 10.246 1.00 1.21 H new ATOM 0 HG3 LYS B 302 -2.626 -5.243 11.056 1.00 1.21 H new ATOM 0 HD2 LYS B 302 -3.414 -3.883 13.231 1.00 1.38 H new ATOM 0 HD3 LYS B 302 -4.793 -3.511 12.216 1.00 1.38 H new ATOM 0 HE2 LYS B 302 -5.314 -5.514 13.459 1.00 2.10 H new ATOM 0 HE3 LYS B 302 -5.095 -5.967 11.781 1.00 2.10 H new ATOM 0 HZ1 LYS B 302 -3.765 -7.516 12.686 1.00 2.44 H new ATOM 0 HZ2 LYS B 302 -2.605 -6.276 12.687 1.00 2.44 H new ATOM 0 HZ3 LYS B 302 -3.475 -6.627 14.103 1.00 2.44 H new ATOM 1489 N LYS B 303 0.803 -4.835 11.444 1.00 0.62 N ATOM 1490 CA LYS B 303 1.547 -6.073 11.247 1.00 0.65 C ATOM 1491 C LYS B 303 2.183 -6.473 12.565 1.00 0.72 C ATOM 1492 O LYS B 303 2.304 -7.650 12.889 1.00 0.82 O ATOM 1493 CB LYS B 303 2.644 -5.883 10.188 1.00 0.58 C ATOM 1494 CG LYS B 303 3.070 -7.173 9.491 1.00 0.55 C ATOM 1495 CD LYS B 303 4.549 -7.138 9.124 1.00 0.66 C ATOM 1496 CE LYS B 303 4.862 -7.995 7.902 1.00 0.77 C ATOM 1497 NZ LYS B 303 4.331 -9.377 8.034 1.00 0.70 N ATOM 0 H LYS B 303 1.217 -4.021 10.989 1.00 0.62 H new ATOM 0 HA LYS B 303 0.865 -6.850 10.902 1.00 0.65 H new ATOM 0 HB2 LYS B 303 2.290 -5.177 9.437 1.00 0.58 H new ATOM 0 HB3 LYS B 303 3.517 -5.434 10.662 1.00 0.58 H new ATOM 0 HG2 LYS B 303 2.874 -8.024 10.144 1.00 0.55 H new ATOM 0 HG3 LYS B 303 2.472 -7.318 8.591 1.00 0.55 H new ATOM 0 HD2 LYS B 303 4.849 -6.108 8.929 1.00 0.66 H new ATOM 0 HD3 LYS B 303 5.140 -7.487 9.971 1.00 0.66 H new ATOM 0 HE2 LYS B 303 4.437 -7.528 7.014 1.00 0.77 H new ATOM 0 HE3 LYS B 303 5.941 -8.035 7.755 1.00 0.77 H new ATOM 0 HZ1 LYS B 303 4.940 -10.035 7.507 1.00 0.70 H new ATOM 0 HZ2 LYS B 303 4.316 -9.649 9.038 1.00 0.70 H new ATOM 0 HZ3 LYS B 303 3.365 -9.416 7.650 1.00 0.70 H new ATOM 1511 N ASN B 304 2.599 -5.466 13.319 1.00 0.69 N ATOM 1512 CA ASN B 304 3.207 -5.677 14.620 1.00 0.78 C ATOM 1513 C ASN B 304 2.119 -6.019 15.629 1.00 0.88 C ATOM 1514 O ASN B 304 2.318 -6.829 16.535 1.00 1.04 O ATOM 1515 CB ASN B 304 3.966 -4.407 15.043 1.00 0.78 C ATOM 1516 CG ASN B 304 4.580 -4.497 16.437 1.00 0.92 C ATOM 1517 OD1 ASN B 304 3.979 -4.069 17.426 1.00 1.13 O ATOM 1518 ND2 ASN B 304 5.787 -5.037 16.520 1.00 1.16 N ATOM 0 H ASN B 304 2.524 -4.486 13.046 1.00 0.69 H new ATOM 0 HA ASN B 304 3.916 -6.504 14.574 1.00 0.78 H new ATOM 0 HB2 ASN B 304 4.756 -4.208 14.319 1.00 0.78 H new ATOM 0 HB3 ASN B 304 3.283 -3.558 15.010 1.00 0.78 H new ATOM 0 HD21 ASN B 304 6.252 -5.110 17.425 1.00 1.16 H new ATOM 0 HD22 ASN B 304 6.251 -5.380 15.679 1.00 1.16 H new ATOM 1525 N SER B 305 1.001 -5.324 15.498 1.00 0.82 N ATOM 1526 CA SER B 305 -0.151 -5.537 16.355 1.00 0.93 C ATOM 1527 C SER B 305 -1.170 -6.491 15.713 1.00 1.13 C ATOM 1528 O SER B 305 -0.918 -7.712 15.705 1.00 1.39 O ATOM 1529 CB SER B 305 -0.758 -4.191 16.709 1.00 0.87 C ATOM 1530 OG SER B 305 0.276 -3.311 17.111 1.00 1.00 O ATOM 1531 OXT SER B 305 -2.235 -6.025 15.246 1.00 1.26 O ATOM 0 H SER B 305 0.868 -4.597 14.795 1.00 0.82 H new ATOM 0 HA SER B 305 0.169 -6.026 17.275 1.00 0.93 H new ATOM 0 HB2 SER B 305 -1.290 -3.780 15.851 1.00 0.87 H new ATOM 0 HB3 SER B 305 -1.488 -4.306 17.511 1.00 0.87 H new ATOM 0 HG SER B 305 0.699 -2.919 16.318 1.00 1.00 H new TER 1537 SER B 305 HETATM 1538 CA CA A 181 -8.651 -2.353 -3.590 1.00 0.45 CA HETATM 1539 CA CA A 182 0.304 4.321 -11.701 1.00 0.54 CA