USER MOD reduce.3.24.130724 H: found=0, std=0, add=472, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 470 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 26 GLN :FLIP amide:sc= -2.77! C(o=-9!,f=-4.2!) USER MOD Set 1.2: A 55 GLN :FLIP amide:sc= -1.42! C(o=-9!,f=-4.2!) USER MOD Set 2.1: A 39 SER OG : rot 180:sc= 0.245 USER MOD Set 2.2: A 40 GLN : amide:sc= -0.607 X(o=-0.36,f=-0.14) USER MOD Set 3.1: A 21 ASN : amide:sc= -0.448 K(o=-2.1,f=-8.6!) USER MOD Set 3.2: A 52 ASN :FLIP amide:sc= -1.64 F(o=-3.4,f=-2.1) USER MOD Single : A 1 VAL N :NH3+ -160:sc= -0.118 (180deg=-0.72) USER MOD Single : A 3 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 LYS NZ :NH3+ -165:sc=-0.00119 (180deg=-0.134) USER MOD Single : A 6 ASN : amide:sc= -0.565 X(o=-0.56,f=-0.42) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 MET CE :methyl -144:sc= -0.0793 (180deg=-2.91!) USER MOD Single : A 11 ASN : amide:sc= -0.0735 K(o=-0.073,f=-1.7!) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= 0.438 K(o=0.44,f=-3.2!) USER MOD Single : A 24 ASN : amide:sc= -0.0119 X(o=-0.012,f=-0.012) USER MOD Single : A 25 GLN : amide:sc= 0 K(o=0,f=-0.92) USER MOD Single : A 27 LYS NZ :NH3+ -130:sc= 1.51 (180deg=-2.84!) USER MOD Single : A 33 SER OG : rot 80:sc= 1.23 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 100:sc= 0.23 USER MOD Single : A 43 ASN : amide:sc= -0.0241 K(o=-0.024,f=-0.97) USER MOD Single : A 49 LYS NZ :NH3+ 164:sc= -0.0713 (180deg=-0.574) USER MOD Single : A 50 LYS NZ :NH3+ 170:sc= 1.1 (180deg=1.03) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 6.789 21.002 -1.902 1.00 0.00 N ATOM 2 CA VAL A 1 5.815 20.489 -0.895 1.00 0.00 C ATOM 3 C VAL A 1 5.687 21.510 0.236 1.00 0.00 C ATOM 4 O VAL A 1 6.674 21.830 0.905 1.00 0.00 O ATOM 5 CB VAL A 1 6.308 19.139 -0.335 1.00 0.00 C ATOM 6 CG1 VAL A 1 5.253 18.551 0.615 1.00 0.00 C ATOM 7 CG2 VAL A 1 6.560 18.149 -1.486 1.00 0.00 C ATOM 0 H1 VAL A 1 6.641 20.514 -2.808 1.00 0.00 H new ATOM 0 H2 VAL A 1 6.648 22.024 -2.032 1.00 0.00 H new ATOM 0 H3 VAL A 1 7.758 20.826 -1.568 1.00 0.00 H new ATOM 0 HA VAL A 1 4.842 20.340 -1.363 1.00 0.00 H new ATOM 0 HB VAL A 1 7.238 19.305 0.209 1.00 0.00 H new ATOM 0 HG11 VAL A 1 5.607 17.598 1.007 1.00 0.00 H new ATOM 0 HG12 VAL A 1 5.082 19.242 1.441 1.00 0.00 H new ATOM 0 HG13 VAL A 1 4.321 18.396 0.072 1.00 0.00 H new ATOM 0 HG21 VAL A 1 6.908 17.199 -1.079 1.00 0.00 H new ATOM 0 HG22 VAL A 1 5.634 17.990 -2.038 1.00 0.00 H new ATOM 0 HG23 VAL A 1 7.317 18.556 -2.156 1.00 0.00 H new ATOM 17 N ASP A 2 4.467 22.019 0.443 1.00 0.00 N ATOM 18 CA ASP A 2 4.219 23.006 1.494 1.00 0.00 C ATOM 19 C ASP A 2 4.295 22.348 2.877 1.00 0.00 C ATOM 20 O ASP A 2 5.271 22.543 3.606 1.00 0.00 O ATOM 21 CB ASP A 2 2.840 23.661 1.291 1.00 0.00 C ATOM 22 CG ASP A 2 2.805 24.431 -0.033 1.00 0.00 C ATOM 23 OD1 ASP A 2 3.532 25.405 -0.152 1.00 0.00 O ATOM 24 OD2 ASP A 2 2.052 24.035 -0.910 1.00 0.00 O ATOM 0 H ASP A 2 3.642 21.764 -0.101 1.00 0.00 H new ATOM 0 HA ASP A 2 4.987 23.777 1.435 1.00 0.00 H new ATOM 0 HB2 ASP A 2 2.063 22.897 1.295 1.00 0.00 H new ATOM 0 HB3 ASP A 2 2.626 24.338 2.118 1.00 0.00 H new ATOM 29 N ASN A 3 3.261 21.570 3.226 1.00 0.00 N ATOM 30 CA ASN A 3 3.213 20.885 4.522 1.00 0.00 C ATOM 31 C ASN A 3 3.847 19.495 4.426 1.00 0.00 C ATOM 32 O ASN A 3 4.838 19.213 5.106 1.00 0.00 O ATOM 33 CB ASN A 3 1.755 20.762 4.997 1.00 0.00 C ATOM 34 CG ASN A 3 1.118 22.146 5.132 1.00 0.00 C ATOM 35 OD1 ASN A 3 0.087 22.420 4.516 1.00 0.00 O ATOM 36 ND2 ASN A 3 1.668 23.038 5.908 1.00 0.00 N ATOM 0 H ASN A 3 2.450 21.401 2.631 1.00 0.00 H new ATOM 0 HA ASN A 3 3.780 21.474 5.243 1.00 0.00 H new ATOM 0 HB2 ASN A 3 1.185 20.160 4.289 1.00 0.00 H new ATOM 0 HB3 ASN A 3 1.721 20.244 5.956 1.00 0.00 H new ATOM 0 HD21 ASN A 3 1.245 23.961 6.004 1.00 0.00 H new ATOM 0 HD22 ASN A 3 2.522 22.813 6.419 1.00 0.00 H new ATOM 43 N LYS A 4 3.267 18.634 3.578 1.00 0.00 N ATOM 44 CA LYS A 4 3.770 17.266 3.392 1.00 0.00 C ATOM 45 C LYS A 4 3.085 16.612 2.185 1.00 0.00 C ATOM 46 O LYS A 4 1.913 16.885 1.907 1.00 0.00 O ATOM 47 CB LYS A 4 3.507 16.436 4.663 1.00 0.00 C ATOM 48 CG LYS A 4 4.287 15.108 4.620 1.00 0.00 C ATOM 49 CD LYS A 4 5.784 15.365 4.870 1.00 0.00 C ATOM 50 CE LYS A 4 6.527 14.031 5.022 1.00 0.00 C ATOM 51 NZ LYS A 4 6.228 13.445 6.362 1.00 0.00 N ATOM 0 H LYS A 4 2.450 18.861 3.011 1.00 0.00 H new ATOM 0 HA LYS A 4 4.844 17.304 3.208 1.00 0.00 H new ATOM 0 HB2 LYS A 4 3.801 17.007 5.543 1.00 0.00 H new ATOM 0 HB3 LYS A 4 2.440 16.234 4.756 1.00 0.00 H new ATOM 0 HG2 LYS A 4 3.897 14.424 5.373 1.00 0.00 H new ATOM 0 HG3 LYS A 4 4.149 14.628 3.651 1.00 0.00 H new ATOM 0 HD2 LYS A 4 6.207 15.934 4.042 1.00 0.00 H new ATOM 0 HD3 LYS A 4 5.913 15.967 5.769 1.00 0.00 H new ATOM 0 HE2 LYS A 4 6.222 13.341 4.235 1.00 0.00 H new ATOM 0 HE3 LYS A 4 7.600 14.186 4.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 6.911 12.689 6.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 6.298 14.186 7.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 5.266 13.051 6.362 1.00 0.00 H new ATOM 65 N PHE A 5 3.825 15.753 1.471 1.00 0.00 N ATOM 66 CA PHE A 5 3.286 15.065 0.288 1.00 0.00 C ATOM 67 C PHE A 5 2.424 13.861 0.693 1.00 0.00 C ATOM 68 O PHE A 5 2.804 12.705 0.503 1.00 0.00 O ATOM 69 CB PHE A 5 4.427 14.651 -0.672 1.00 0.00 C ATOM 70 CG PHE A 5 5.519 13.875 0.056 1.00 0.00 C ATOM 71 CD1 PHE A 5 6.488 14.562 0.802 1.00 0.00 C ATOM 72 CD2 PHE A 5 5.569 12.474 -0.023 1.00 0.00 C ATOM 73 CE1 PHE A 5 7.497 13.855 1.466 1.00 0.00 C ATOM 74 CE2 PHE A 5 6.579 11.768 0.642 1.00 0.00 C ATOM 75 CZ PHE A 5 7.542 12.459 1.386 1.00 0.00 C ATOM 0 H PHE A 5 4.793 15.518 1.690 1.00 0.00 H new ATOM 0 HA PHE A 5 2.639 15.761 -0.246 1.00 0.00 H new ATOM 0 HB2 PHE A 5 4.021 14.040 -1.478 1.00 0.00 H new ATOM 0 HB3 PHE A 5 4.857 15.541 -1.132 1.00 0.00 H new ATOM 0 HD1 PHE A 5 6.455 15.640 0.864 1.00 0.00 H new ATOM 0 HD2 PHE A 5 4.827 11.940 -0.598 1.00 0.00 H new ATOM 0 HE1 PHE A 5 8.241 14.387 2.040 1.00 0.00 H new ATOM 0 HE2 PHE A 5 6.615 10.690 0.581 1.00 0.00 H new ATOM 0 HZ PHE A 5 8.321 11.914 1.899 1.00 0.00 H new ATOM 85 N ASN A 6 1.247 14.159 1.254 1.00 0.00 N ATOM 86 CA ASN A 6 0.311 13.115 1.694 1.00 0.00 C ATOM 87 C ASN A 6 -0.634 12.689 0.561 1.00 0.00 C ATOM 88 O ASN A 6 -1.421 11.755 0.731 1.00 0.00 O ATOM 89 CB ASN A 6 -0.522 13.628 2.881 1.00 0.00 C ATOM 90 CG ASN A 6 0.385 14.154 3.996 1.00 0.00 C ATOM 91 OD1 ASN A 6 0.086 15.180 4.607 1.00 0.00 O ATOM 92 ND2 ASN A 6 1.480 13.513 4.302 1.00 0.00 N ATOM 0 H ASN A 6 0.919 15.111 1.414 1.00 0.00 H new ATOM 0 HA ASN A 6 0.899 12.248 1.994 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -1.191 14.421 2.546 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -1.149 12.824 3.265 1.00 0.00 H new ATOM 0 HD21 ASN A 6 2.085 13.863 5.045 1.00 0.00 H new ATOM 0 HD22 ASN A 6 1.731 12.663 3.798 1.00 0.00 H new ATOM 99 N LYS A 7 -0.560 13.375 -0.586 1.00 0.00 N ATOM 100 CA LYS A 7 -1.425 13.052 -1.728 1.00 0.00 C ATOM 101 C LYS A 7 -1.157 11.629 -2.228 1.00 0.00 C ATOM 102 O LYS A 7 -2.088 10.828 -2.386 1.00 0.00 O ATOM 103 CB LYS A 7 -1.186 14.054 -2.872 1.00 0.00 C ATOM 104 CG LYS A 7 -1.944 15.367 -2.602 1.00 0.00 C ATOM 105 CD LYS A 7 -1.212 16.202 -1.538 1.00 0.00 C ATOM 106 CE LYS A 7 -1.917 17.553 -1.369 1.00 0.00 C ATOM 107 NZ LYS A 7 -1.183 18.374 -0.363 1.00 0.00 N ATOM 0 H LYS A 7 0.083 14.150 -0.748 1.00 0.00 H new ATOM 0 HA LYS A 7 -2.462 13.118 -1.399 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -0.119 14.256 -2.970 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -1.517 13.623 -3.817 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -2.032 15.940 -3.525 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -2.957 15.146 -2.266 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -1.197 15.667 -0.588 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -0.174 16.356 -1.833 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -1.955 18.077 -2.324 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -2.947 17.400 -1.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -1.661 19.291 -0.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -1.168 17.874 0.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -0.207 18.530 -0.688 1.00 0.00 H new ATOM 121 N GLU A 8 0.121 11.329 -2.470 1.00 0.00 N ATOM 122 CA GLU A 8 0.523 10.006 -2.952 1.00 0.00 C ATOM 123 C GLU A 8 0.145 8.929 -1.938 1.00 0.00 C ATOM 124 O GLU A 8 -0.201 7.805 -2.315 1.00 0.00 O ATOM 125 CB GLU A 8 2.043 9.975 -3.195 1.00 0.00 C ATOM 126 CG GLU A 8 2.434 10.949 -4.327 1.00 0.00 C ATOM 127 CD GLU A 8 1.720 10.599 -5.638 1.00 0.00 C ATOM 128 OE1 GLU A 8 1.777 9.446 -6.044 1.00 0.00 O ATOM 129 OE2 GLU A 8 1.139 11.494 -6.224 1.00 0.00 O ATOM 0 H GLU A 8 0.893 11.983 -2.340 1.00 0.00 H new ATOM 0 HA GLU A 8 0.002 9.807 -3.888 1.00 0.00 H new ATOM 0 HB2 GLU A 8 2.568 10.245 -2.279 1.00 0.00 H new ATOM 0 HB3 GLU A 8 2.354 8.963 -3.455 1.00 0.00 H new ATOM 0 HG2 GLU A 8 2.182 11.969 -4.035 1.00 0.00 H new ATOM 0 HG3 GLU A 8 3.513 10.918 -4.479 1.00 0.00 H new ATOM 136 N MET A 9 0.215 9.284 -0.652 1.00 0.00 N ATOM 137 CA MET A 9 -0.119 8.349 0.421 1.00 0.00 C ATOM 138 C MET A 9 -1.584 7.930 0.326 1.00 0.00 C ATOM 139 O MET A 9 -1.904 6.750 0.474 1.00 0.00 O ATOM 140 CB MET A 9 0.150 8.998 1.785 1.00 0.00 C ATOM 141 CG MET A 9 1.639 9.333 1.906 1.00 0.00 C ATOM 142 SD MET A 9 1.970 10.093 3.514 1.00 0.00 S ATOM 143 CE MET A 9 3.673 10.588 3.161 1.00 0.00 C ATOM 0 H MET A 9 0.499 10.210 -0.331 1.00 0.00 H new ATOM 0 HA MET A 9 0.506 7.462 0.317 1.00 0.00 H new ATOM 0 HB2 MET A 9 -0.447 9.903 1.893 1.00 0.00 H new ATOM 0 HB3 MET A 9 -0.148 8.322 2.586 1.00 0.00 H new ATOM 0 HG2 MET A 9 2.235 8.427 1.792 1.00 0.00 H new ATOM 0 HG3 MET A 9 1.934 10.011 1.106 1.00 0.00 H new ATOM 0 HE1 MET A 9 4.277 10.482 4.062 1.00 0.00 H new ATOM 0 HE2 MET A 9 4.081 9.953 2.374 1.00 0.00 H new ATOM 0 HE3 MET A 9 3.689 11.627 2.833 1.00 0.00 H new ATOM 153 N ARG A 10 -2.465 8.902 0.061 1.00 0.00 N ATOM 154 CA ARG A 10 -3.894 8.613 -0.067 1.00 0.00 C ATOM 155 C ARG A 10 -4.141 7.685 -1.256 1.00 0.00 C ATOM 156 O ARG A 10 -4.984 6.784 -1.187 1.00 0.00 O ATOM 157 CB ARG A 10 -4.693 9.914 -0.246 1.00 0.00 C ATOM 158 CG ARG A 10 -4.647 10.740 1.050 1.00 0.00 C ATOM 159 CD ARG A 10 -5.493 12.010 0.890 1.00 0.00 C ATOM 160 NE ARG A 10 -5.313 12.886 2.051 1.00 0.00 N ATOM 161 CZ ARG A 10 -5.939 14.062 2.159 1.00 0.00 C ATOM 162 NH1 ARG A 10 -6.746 14.477 1.220 1.00 0.00 N ATOM 163 NH2 ARG A 10 -5.742 14.804 3.210 1.00 0.00 N ATOM 0 H ARG A 10 -2.216 9.883 -0.067 1.00 0.00 H new ATOM 0 HA ARG A 10 -4.228 8.119 0.846 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -4.280 10.494 -1.072 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -5.727 9.683 -0.504 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -5.021 10.146 1.884 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -3.617 11.006 1.286 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -5.205 12.536 -0.020 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -6.545 11.744 0.785 1.00 0.00 H new ATOM 0 HE ARG A 10 -4.689 12.588 2.801 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -6.904 13.902 0.393 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -7.218 15.376 1.314 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -5.112 14.487 3.947 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -6.218 15.702 3.297 1.00 0.00 H new ATOM 177 N ASN A 11 -3.398 7.912 -2.344 1.00 0.00 N ATOM 178 CA ASN A 11 -3.546 7.088 -3.546 1.00 0.00 C ATOM 179 C ASN A 11 -3.159 5.635 -3.259 1.00 0.00 C ATOM 180 O ASN A 11 -3.944 4.719 -3.515 1.00 0.00 O ATOM 181 CB ASN A 11 -2.674 7.641 -4.686 1.00 0.00 C ATOM 182 CG ASN A 11 -3.135 9.045 -5.086 1.00 0.00 C ATOM 183 OD1 ASN A 11 -2.330 9.974 -5.137 1.00 0.00 O ATOM 184 ND2 ASN A 11 -4.389 9.255 -5.384 1.00 0.00 N ATOM 0 H ASN A 11 -2.697 8.650 -2.417 1.00 0.00 H new ATOM 0 HA ASN A 11 -4.592 7.119 -3.849 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -1.631 7.671 -4.371 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -2.728 6.976 -5.548 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -4.699 10.187 -5.658 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -5.059 8.487 -5.343 1.00 0.00 H new ATOM 191 N ALA A 12 -1.948 5.430 -2.723 1.00 0.00 N ATOM 192 CA ALA A 12 -1.478 4.077 -2.409 1.00 0.00 C ATOM 193 C ALA A 12 -2.309 3.453 -1.283 1.00 0.00 C ATOM 194 O ALA A 12 -2.509 2.239 -1.261 1.00 0.00 O ATOM 195 CB ALA A 12 0.010 4.094 -2.023 1.00 0.00 C ATOM 0 H ALA A 12 -1.286 6.173 -2.501 1.00 0.00 H new ATOM 0 HA ALA A 12 -1.600 3.467 -3.304 1.00 0.00 H new ATOM 0 HB1 ALA A 12 0.338 3.080 -1.794 1.00 0.00 H new ATOM 0 HB2 ALA A 12 0.597 4.486 -2.853 1.00 0.00 H new ATOM 0 HB3 ALA A 12 0.152 4.728 -1.147 1.00 0.00 H new ATOM 201 N TYR A 13 -2.800 4.289 -0.356 1.00 0.00 N ATOM 202 CA TYR A 13 -3.619 3.811 0.773 1.00 0.00 C ATOM 203 C TYR A 13 -4.848 3.042 0.262 1.00 0.00 C ATOM 204 O TYR A 13 -5.068 1.879 0.623 1.00 0.00 O ATOM 205 CB TYR A 13 -4.070 5.030 1.613 1.00 0.00 C ATOM 206 CG TYR A 13 -4.900 4.608 2.820 1.00 0.00 C ATOM 207 CD1 TYR A 13 -6.267 4.331 2.667 1.00 0.00 C ATOM 208 CD2 TYR A 13 -4.305 4.502 4.084 1.00 0.00 C ATOM 209 CE1 TYR A 13 -7.034 3.948 3.775 1.00 0.00 C ATOM 210 CE2 TYR A 13 -5.075 4.118 5.191 1.00 0.00 C ATOM 211 CZ TYR A 13 -6.437 3.841 5.036 1.00 0.00 C ATOM 212 OH TYR A 13 -7.194 3.464 6.127 1.00 0.00 O ATOM 0 H TYR A 13 -2.646 5.297 -0.364 1.00 0.00 H new ATOM 0 HA TYR A 13 -3.026 3.134 1.388 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -3.194 5.584 1.950 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -4.654 5.706 0.988 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -6.728 4.413 1.694 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -3.253 4.716 4.206 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -8.086 3.735 3.656 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -4.616 4.036 6.165 1.00 0.00 H new ATOM 0 HH TYR A 13 -6.626 3.437 6.925 1.00 0.00 H new ATOM 222 N TRP A 14 -5.629 3.712 -0.578 1.00 0.00 N ATOM 223 CA TRP A 14 -6.838 3.123 -1.150 1.00 0.00 C ATOM 224 C TRP A 14 -6.505 1.992 -2.131 1.00 0.00 C ATOM 225 O TRP A 14 -7.151 0.938 -2.110 1.00 0.00 O ATOM 226 CB TRP A 14 -7.632 4.219 -1.868 1.00 0.00 C ATOM 227 CG TRP A 14 -8.969 3.695 -2.306 1.00 0.00 C ATOM 228 CD1 TRP A 14 -9.267 3.264 -3.555 1.00 0.00 C ATOM 229 CD2 TRP A 14 -10.187 3.545 -1.521 1.00 0.00 C ATOM 230 NE1 TRP A 14 -10.590 2.858 -3.583 1.00 0.00 N ATOM 231 CE2 TRP A 14 -11.199 3.012 -2.354 1.00 0.00 C ATOM 232 CE3 TRP A 14 -10.510 3.817 -0.178 1.00 0.00 C ATOM 233 CZ2 TRP A 14 -12.484 2.759 -1.874 1.00 0.00 C ATOM 234 CZ3 TRP A 14 -11.803 3.562 0.308 1.00 0.00 C ATOM 235 CH2 TRP A 14 -12.788 3.034 -0.538 1.00 0.00 C ATOM 0 H TRP A 14 -5.446 4.669 -0.880 1.00 0.00 H new ATOM 0 HA TRP A 14 -7.431 2.694 -0.342 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -7.769 5.072 -1.204 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -7.073 4.575 -2.733 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -8.584 3.241 -4.392 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -11.058 2.490 -4.411 1.00 0.00 H new ATOM 0 HE3 TRP A 14 -9.759 4.224 0.483 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -13.239 2.353 -2.531 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 -12.040 3.774 1.340 1.00 0.00 H new ATOM 0 HH2 TRP A 14 -13.780 2.840 -0.158 1.00 0.00 H new ATOM 246 N GLU A 15 -5.514 2.225 -3.003 1.00 0.00 N ATOM 247 CA GLU A 15 -5.125 1.228 -4.007 1.00 0.00 C ATOM 248 C GLU A 15 -4.657 -0.078 -3.358 1.00 0.00 C ATOM 249 O GLU A 15 -5.019 -1.156 -3.823 1.00 0.00 O ATOM 250 CB GLU A 15 -4.022 1.791 -4.913 1.00 0.00 C ATOM 251 CG GLU A 15 -4.613 2.853 -5.852 1.00 0.00 C ATOM 252 CD GLU A 15 -3.506 3.463 -6.713 1.00 0.00 C ATOM 253 OE1 GLU A 15 -2.664 4.148 -6.156 1.00 0.00 O ATOM 254 OE2 GLU A 15 -3.516 3.236 -7.913 1.00 0.00 O ATOM 0 H GLU A 15 -4.972 3.088 -3.033 1.00 0.00 H new ATOM 0 HA GLU A 15 -6.006 1.003 -4.608 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -3.229 2.229 -4.307 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.571 0.987 -5.495 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -5.375 2.404 -6.489 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -5.104 3.633 -5.270 1.00 0.00 H new ATOM 261 N ILE A 16 -3.868 0.018 -2.284 1.00 0.00 N ATOM 262 CA ILE A 16 -3.392 -1.185 -1.589 1.00 0.00 C ATOM 263 C ILE A 16 -4.574 -1.931 -0.970 1.00 0.00 C ATOM 264 O ILE A 16 -4.721 -3.145 -1.152 1.00 0.00 O ATOM 265 CB ILE A 16 -2.365 -0.804 -0.498 1.00 0.00 C ATOM 266 CG1 ILE A 16 -1.059 -0.328 -1.163 1.00 0.00 C ATOM 267 CG2 ILE A 16 -2.067 -2.017 0.405 1.00 0.00 C ATOM 268 CD1 ILE A 16 -0.168 0.375 -0.131 1.00 0.00 C ATOM 0 H ILE A 16 -3.549 0.899 -1.881 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.902 -1.839 -2.310 1.00 0.00 H new ATOM 0 HB ILE A 16 -2.782 -0.002 0.112 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -0.530 -1.178 -1.593 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -1.287 0.353 -1.983 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -1.342 -1.733 1.168 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -2.988 -2.349 0.885 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -1.660 -2.828 -0.198 1.00 0.00 H new ATOM 0 HD11 ILE A 16 0.752 0.707 -0.611 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -0.695 1.237 0.278 1.00 0.00 H new ATOM 0 HD13 ILE A 16 0.073 -0.319 0.674 1.00 0.00 H new ATOM 280 N ALA A 17 -5.410 -1.191 -0.239 1.00 0.00 N ATOM 281 CA ALA A 17 -6.580 -1.774 0.417 1.00 0.00 C ATOM 282 C ALA A 17 -7.511 -2.444 -0.603 1.00 0.00 C ATOM 283 O ALA A 17 -8.281 -3.341 -0.247 1.00 0.00 O ATOM 284 CB ALA A 17 -7.348 -0.683 1.170 1.00 0.00 C ATOM 0 H ALA A 17 -5.298 -0.189 -0.087 1.00 0.00 H new ATOM 0 HA ALA A 17 -6.233 -2.534 1.117 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -8.219 -1.121 1.657 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -6.699 -0.234 1.922 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -7.673 0.084 0.467 1.00 0.00 H new ATOM 290 N LEU A 18 -7.447 -1.984 -1.859 1.00 0.00 N ATOM 291 CA LEU A 18 -8.299 -2.522 -2.927 1.00 0.00 C ATOM 292 C LEU A 18 -8.103 -4.034 -3.112 1.00 0.00 C ATOM 293 O LEU A 18 -9.074 -4.749 -3.375 1.00 0.00 O ATOM 294 CB LEU A 18 -8.003 -1.798 -4.252 1.00 0.00 C ATOM 295 CG LEU A 18 -9.039 -2.188 -5.327 1.00 0.00 C ATOM 296 CD1 LEU A 18 -10.414 -1.595 -4.979 1.00 0.00 C ATOM 297 CD2 LEU A 18 -8.583 -1.648 -6.693 1.00 0.00 C ATOM 0 H LEU A 18 -6.815 -1.242 -2.160 1.00 0.00 H new ATOM 0 HA LEU A 18 -9.335 -2.352 -2.634 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -8.022 -0.719 -4.095 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -7.001 -2.053 -4.596 1.00 0.00 H new ATOM 0 HG LEU A 18 -9.120 -3.274 -5.365 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -11.136 -1.877 -5.745 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -10.741 -1.978 -4.013 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -10.340 -0.508 -4.932 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -9.313 -1.922 -7.455 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -8.498 -0.562 -6.645 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -7.614 -2.076 -6.949 1.00 0.00 H new ATOM 309 N LEU A 19 -6.858 -4.523 -2.979 1.00 0.00 N ATOM 310 CA LEU A 19 -6.599 -5.960 -3.147 1.00 0.00 C ATOM 311 C LEU A 19 -7.213 -6.734 -1.962 1.00 0.00 C ATOM 312 O LEU A 19 -6.849 -6.483 -0.808 1.00 0.00 O ATOM 313 CB LEU A 19 -5.084 -6.245 -3.210 1.00 0.00 C ATOM 314 CG LEU A 19 -4.379 -5.551 -4.413 1.00 0.00 C ATOM 315 CD1 LEU A 19 -5.231 -5.589 -5.692 1.00 0.00 C ATOM 316 CD2 LEU A 19 -4.046 -4.098 -4.066 1.00 0.00 C ATOM 0 H LEU A 19 -6.036 -3.960 -2.761 1.00 0.00 H new ATOM 0 HA LEU A 19 -7.053 -6.284 -4.084 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.619 -5.911 -2.283 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -4.926 -7.321 -3.276 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.462 -6.107 -4.607 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.695 -5.092 -6.501 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -5.426 -6.625 -5.968 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -6.176 -5.076 -5.515 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.554 -3.625 -4.915 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.965 -3.560 -3.833 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.382 -4.073 -3.202 1.00 0.00 H new ATOM 328 N PRO A 20 -8.141 -7.648 -2.213 1.00 0.00 N ATOM 329 CA PRO A 20 -8.822 -8.444 -1.139 1.00 0.00 C ATOM 330 C PRO A 20 -8.118 -9.755 -0.752 1.00 0.00 C ATOM 331 O PRO A 20 -8.394 -10.304 0.318 1.00 0.00 O ATOM 332 CB PRO A 20 -10.173 -8.742 -1.783 1.00 0.00 C ATOM 333 CG PRO A 20 -9.852 -8.948 -3.228 1.00 0.00 C ATOM 334 CD PRO A 20 -8.662 -8.032 -3.545 1.00 0.00 C ATOM 0 HA PRO A 20 -8.850 -7.895 -0.198 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -10.635 -9.628 -1.347 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -10.871 -7.917 -1.644 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -9.602 -9.991 -3.425 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -10.709 -8.701 -3.855 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -7.906 -8.550 -4.135 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -8.972 -7.159 -4.119 1.00 0.00 H new ATOM 342 N ASN A 21 -7.261 -10.279 -1.638 1.00 0.00 N ATOM 343 CA ASN A 21 -6.590 -11.565 -1.391 1.00 0.00 C ATOM 344 C ASN A 21 -5.286 -11.439 -0.597 1.00 0.00 C ATOM 345 O ASN A 21 -4.674 -12.462 -0.269 1.00 0.00 O ATOM 346 CB ASN A 21 -6.326 -12.261 -2.734 1.00 0.00 C ATOM 347 CG ASN A 21 -5.475 -11.380 -3.647 1.00 0.00 C ATOM 348 OD1 ASN A 21 -5.024 -10.302 -3.245 1.00 0.00 O ATOM 349 ND2 ASN A 21 -5.242 -11.771 -4.867 1.00 0.00 N ATOM 0 H ASN A 21 -7.016 -9.838 -2.525 1.00 0.00 H new ATOM 0 HA ASN A 21 -7.261 -12.160 -0.771 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -5.819 -13.210 -2.563 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -7.273 -12.489 -3.222 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -4.687 -11.187 -5.492 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -5.615 -12.661 -5.197 1.00 0.00 H new ATOM 356 N LEU A 22 -4.865 -10.214 -0.261 1.00 0.00 N ATOM 357 CA LEU A 22 -3.635 -10.053 0.524 1.00 0.00 C ATOM 358 C LEU A 22 -3.882 -10.519 1.951 1.00 0.00 C ATOM 359 O LEU A 22 -4.905 -10.172 2.550 1.00 0.00 O ATOM 360 CB LEU A 22 -3.161 -8.591 0.576 1.00 0.00 C ATOM 361 CG LEU A 22 -2.783 -8.071 -0.815 1.00 0.00 C ATOM 362 CD1 LEU A 22 -2.739 -6.536 -0.781 1.00 0.00 C ATOM 363 CD2 LEU A 22 -1.392 -8.598 -1.207 1.00 0.00 C ATOM 0 H LEU A 22 -5.339 -9.346 -0.510 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.863 -10.649 0.037 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.950 -7.967 0.996 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.301 -8.510 1.241 1.00 0.00 H new ATOM 0 HG LEU A 22 -3.521 -8.412 -1.541 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.471 -6.158 -1.767 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.718 -6.150 -0.499 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.997 -6.209 -0.053 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.128 -8.226 -2.197 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.655 -8.254 -0.481 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.407 -9.688 -1.221 1.00 0.00 H new ATOM 375 N ASN A 23 -2.934 -11.293 2.492 1.00 0.00 N ATOM 376 CA ASN A 23 -3.049 -11.796 3.873 1.00 0.00 C ATOM 377 C ASN A 23 -3.348 -10.637 4.833 1.00 0.00 C ATOM 378 O ASN A 23 -2.859 -9.523 4.632 1.00 0.00 O ATOM 379 CB ASN A 23 -1.751 -12.497 4.300 1.00 0.00 C ATOM 380 CG ASN A 23 -1.925 -13.139 5.678 1.00 0.00 C ATOM 381 OD1 ASN A 23 -1.565 -12.542 6.693 1.00 0.00 O ATOM 382 ND2 ASN A 23 -2.461 -14.325 5.773 1.00 0.00 N ATOM 0 H ASN A 23 -2.087 -11.584 2.004 1.00 0.00 H new ATOM 0 HA ASN A 23 -3.867 -12.515 3.910 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -1.482 -13.258 3.568 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -0.933 -11.778 4.327 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -2.582 -14.758 6.689 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -2.759 -14.819 4.932 1.00 0.00 H new ATOM 389 N ASN A 24 -4.173 -10.907 5.853 1.00 0.00 N ATOM 390 CA ASN A 24 -4.572 -9.880 6.831 1.00 0.00 C ATOM 391 C ASN A 24 -3.371 -9.087 7.359 1.00 0.00 C ATOM 392 O ASN A 24 -3.458 -7.868 7.532 1.00 0.00 O ATOM 393 CB ASN A 24 -5.302 -10.541 8.011 1.00 0.00 C ATOM 394 CG ASN A 24 -6.586 -11.220 7.532 1.00 0.00 C ATOM 395 OD1 ASN A 24 -6.769 -12.421 7.734 1.00 0.00 O ATOM 396 ND2 ASN A 24 -7.493 -10.519 6.910 1.00 0.00 N ATOM 0 H ASN A 24 -4.578 -11.827 6.025 1.00 0.00 H new ATOM 0 HA ASN A 24 -5.234 -9.183 6.318 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -4.650 -11.275 8.485 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -5.539 -9.791 8.766 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -8.353 -10.966 6.591 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -7.342 -9.524 6.742 1.00 0.00 H new ATOM 403 N GLN A 25 -2.257 -9.780 7.606 1.00 0.00 N ATOM 404 CA GLN A 25 -1.049 -9.121 8.109 1.00 0.00 C ATOM 405 C GLN A 25 -0.437 -8.208 7.043 1.00 0.00 C ATOM 406 O GLN A 25 -0.028 -7.082 7.340 1.00 0.00 O ATOM 407 CB GLN A 25 -0.013 -10.174 8.535 1.00 0.00 C ATOM 408 CG GLN A 25 -0.542 -10.976 9.737 1.00 0.00 C ATOM 409 CD GLN A 25 0.457 -12.063 10.149 1.00 0.00 C ATOM 410 OE1 GLN A 25 1.228 -12.559 9.324 1.00 0.00 O ATOM 411 NE2 GLN A 25 0.487 -12.469 11.389 1.00 0.00 N ATOM 0 H GLN A 25 -2.166 -10.786 7.468 1.00 0.00 H new ATOM 0 HA GLN A 25 -1.330 -8.513 8.969 1.00 0.00 H new ATOM 0 HB2 GLN A 25 0.198 -10.846 7.703 1.00 0.00 H new ATOM 0 HB3 GLN A 25 0.926 -9.687 8.797 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -0.722 -10.305 10.577 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -1.499 -11.433 9.483 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -0.149 -12.061 12.075 1.00 0.00 H new ATOM 0 HE22 GLN A 25 1.146 -13.194 11.673 1.00 0.00 H new ATOM 420 N GLN A 26 -0.363 -8.715 5.812 1.00 0.00 N ATOM 421 CA GLN A 26 0.221 -7.967 4.694 1.00 0.00 C ATOM 422 C GLN A 26 -0.562 -6.687 4.385 1.00 0.00 C ATOM 423 O GLN A 26 0.034 -5.667 4.024 1.00 0.00 O ATOM 424 CB GLN A 26 0.269 -8.858 3.445 1.00 0.00 C ATOM 425 CG GLN A 26 1.235 -10.033 3.678 1.00 0.00 C ATOM 426 CD GLN A 26 1.230 -10.974 2.474 1.00 0.00 C ATOM 427 OE1 GLN A 26 0.096 -11.435 2.022 1.00 0.00 O flip ATOM 428 NE2 GLN A 26 2.287 -11.298 1.933 1.00 0.00 N flip ATOM 0 H GLN A 26 -0.701 -9.644 5.562 1.00 0.00 H new ATOM 0 HA GLN A 26 1.230 -7.674 4.985 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -0.728 -9.235 3.218 1.00 0.00 H new ATOM 0 HB3 GLN A 26 0.593 -8.274 2.583 1.00 0.00 H new ATOM 0 HG2 GLN A 26 2.243 -9.655 3.848 1.00 0.00 H new ATOM 0 HG3 GLN A 26 0.944 -10.579 4.575 1.00 0.00 H new ATOM 0 HE21 GLN A 26 3.173 -10.937 2.287 1.00 0.00 H new ATOM 0 HE22 GLN A 26 2.277 -11.927 1.130 1.00 0.00 H new ATOM 437 N LYS A 27 -1.895 -6.749 4.511 1.00 0.00 N ATOM 438 CA LYS A 27 -2.750 -5.588 4.223 1.00 0.00 C ATOM 439 C LYS A 27 -2.355 -4.388 5.089 1.00 0.00 C ATOM 440 O LYS A 27 -2.040 -3.314 4.570 1.00 0.00 O ATOM 441 CB LYS A 27 -4.224 -5.943 4.487 1.00 0.00 C ATOM 442 CG LYS A 27 -4.696 -7.008 3.490 1.00 0.00 C ATOM 443 CD LYS A 27 -6.135 -7.442 3.832 1.00 0.00 C ATOM 444 CE LYS A 27 -7.066 -7.132 2.656 1.00 0.00 C ATOM 445 NZ LYS A 27 -6.799 -8.092 1.544 1.00 0.00 N ATOM 0 H LYS A 27 -2.402 -7.583 4.808 1.00 0.00 H new ATOM 0 HA LYS A 27 -2.617 -5.322 3.174 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -4.341 -6.311 5.506 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.843 -5.050 4.398 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -4.657 -6.612 2.475 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -4.029 -7.870 3.521 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -6.159 -8.509 4.055 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -6.478 -6.922 4.726 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -8.106 -7.206 2.973 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -6.909 -6.109 2.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -6.670 -7.567 0.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -5.937 -8.635 1.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -7.604 -8.743 1.447 1.00 0.00 H new ATOM 459 N ARG A 28 -2.376 -4.591 6.405 1.00 0.00 N ATOM 460 CA ARG A 28 -2.021 -3.539 7.358 1.00 0.00 C ATOM 461 C ARG A 28 -0.527 -3.207 7.285 1.00 0.00 C ATOM 462 O ARG A 28 -0.131 -2.060 7.497 1.00 0.00 O ATOM 463 CB ARG A 28 -2.387 -3.994 8.780 1.00 0.00 C ATOM 464 CG ARG A 28 -2.184 -2.840 9.779 1.00 0.00 C ATOM 465 CD ARG A 28 -2.506 -3.315 11.203 1.00 0.00 C ATOM 466 NE ARG A 28 -3.916 -3.702 11.309 1.00 0.00 N ATOM 467 CZ ARG A 28 -4.443 -4.165 12.446 1.00 0.00 C ATOM 468 NH1 ARG A 28 -3.709 -4.289 13.519 1.00 0.00 N ATOM 469 NH2 ARG A 28 -5.702 -4.496 12.485 1.00 0.00 N ATOM 0 H ARG A 28 -2.636 -5.477 6.838 1.00 0.00 H new ATOM 0 HA ARG A 28 -2.579 -2.638 7.103 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -3.424 -4.329 8.806 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -1.770 -4.845 9.067 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -1.155 -2.482 9.730 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -2.826 -2.001 9.513 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -1.870 -4.161 11.463 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -2.286 -2.520 11.916 1.00 0.00 H new ATOM 0 HE ARG A 28 -4.514 -3.615 10.488 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -2.722 -4.031 13.495 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -4.122 -4.644 14.381 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -6.280 -4.401 11.650 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -6.110 -4.850 13.350 1.00 0.00 H new ATOM 483 N ALA A 29 0.293 -4.231 7.021 1.00 0.00 N ATOM 484 CA ALA A 29 1.750 -4.073 6.968 1.00 0.00 C ATOM 485 C ALA A 29 2.207 -2.995 5.978 1.00 0.00 C ATOM 486 O ALA A 29 2.997 -2.122 6.351 1.00 0.00 O ATOM 487 CB ALA A 29 2.402 -5.409 6.599 1.00 0.00 C ATOM 0 H ALA A 29 -0.030 -5.181 6.840 1.00 0.00 H new ATOM 0 HA ALA A 29 2.065 -3.750 7.960 1.00 0.00 H new ATOM 0 HB1 ALA A 29 3.485 -5.287 6.561 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.147 -6.158 7.349 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.039 -5.734 5.624 1.00 0.00 H new ATOM 493 N PHE A 30 1.750 -3.064 4.718 1.00 0.00 N ATOM 494 CA PHE A 30 2.182 -2.078 3.713 1.00 0.00 C ATOM 495 C PHE A 30 1.820 -0.647 4.117 1.00 0.00 C ATOM 496 O PHE A 30 2.708 0.194 4.264 1.00 0.00 O ATOM 497 CB PHE A 30 1.576 -2.396 2.337 1.00 0.00 C ATOM 498 CG PHE A 30 2.290 -3.588 1.731 1.00 0.00 C ATOM 499 CD1 PHE A 30 3.644 -3.479 1.390 1.00 0.00 C ATOM 500 CD2 PHE A 30 1.609 -4.791 1.505 1.00 0.00 C ATOM 501 CE1 PHE A 30 4.318 -4.565 0.828 1.00 0.00 C ATOM 502 CE2 PHE A 30 2.287 -5.880 0.941 1.00 0.00 C ATOM 503 CZ PHE A 30 3.643 -5.765 0.603 1.00 0.00 C ATOM 0 H PHE A 30 1.099 -3.771 4.376 1.00 0.00 H new ATOM 0 HA PHE A 30 3.268 -2.147 3.653 1.00 0.00 H new ATOM 0 HB2 PHE A 30 0.512 -2.609 2.437 1.00 0.00 H new ATOM 0 HB3 PHE A 30 1.667 -1.532 1.679 1.00 0.00 H new ATOM 0 HD1 PHE A 30 4.169 -2.551 1.562 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.564 -4.879 1.765 1.00 0.00 H new ATOM 0 HE1 PHE A 30 5.362 -4.476 0.567 1.00 0.00 H new ATOM 0 HE2 PHE A 30 1.765 -6.809 0.766 1.00 0.00 H new ATOM 0 HZ PHE A 30 4.165 -6.605 0.169 1.00 0.00 H new ATOM 513 N ILE A 31 0.521 -0.374 4.272 1.00 0.00 N ATOM 514 CA ILE A 31 0.054 0.968 4.636 1.00 0.00 C ATOM 515 C ILE A 31 0.713 1.466 5.936 1.00 0.00 C ATOM 516 O ILE A 31 1.104 2.633 6.018 1.00 0.00 O ATOM 517 CB ILE A 31 -1.493 0.980 4.746 1.00 0.00 C ATOM 518 CG1 ILE A 31 -2.101 0.647 3.356 1.00 0.00 C ATOM 519 CG2 ILE A 31 -1.979 2.365 5.215 1.00 0.00 C ATOM 520 CD1 ILE A 31 -3.635 0.784 3.365 1.00 0.00 C ATOM 0 H ILE A 31 -0.223 -1.061 4.152 1.00 0.00 H new ATOM 0 HA ILE A 31 0.351 1.659 3.847 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.813 0.235 5.474 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -1.679 1.314 2.604 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -1.827 -0.369 3.071 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -3.066 2.363 5.289 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -1.549 2.590 6.191 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -1.666 3.123 4.497 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -4.028 0.544 2.377 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -4.057 0.098 4.100 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -3.907 1.807 3.625 1.00 0.00 H new ATOM 532 N ARG A 32 0.846 0.589 6.942 1.00 0.00 N ATOM 533 CA ARG A 32 1.477 0.988 8.210 1.00 0.00 C ATOM 534 C ARG A 32 2.942 1.375 7.973 1.00 0.00 C ATOM 535 O ARG A 32 3.396 2.445 8.404 1.00 0.00 O ATOM 536 CB ARG A 32 1.399 -0.161 9.229 1.00 0.00 C ATOM 537 CG ARG A 32 1.944 0.302 10.591 1.00 0.00 C ATOM 538 CD ARG A 32 1.871 -0.852 11.600 1.00 0.00 C ATOM 539 NE ARG A 32 2.252 -0.385 12.937 1.00 0.00 N ATOM 540 CZ ARG A 32 3.524 -0.153 13.276 1.00 0.00 C ATOM 541 NH1 ARG A 32 4.488 -0.336 12.415 1.00 0.00 N ATOM 542 NH2 ARG A 32 3.803 0.261 14.478 1.00 0.00 N ATOM 0 H ARG A 32 0.533 -0.381 6.906 1.00 0.00 H new ATOM 0 HA ARG A 32 0.942 1.850 8.608 1.00 0.00 H new ATOM 0 HB2 ARG A 32 0.366 -0.493 9.336 1.00 0.00 H new ATOM 0 HB3 ARG A 32 1.973 -1.015 8.870 1.00 0.00 H new ATOM 0 HG2 ARG A 32 2.975 0.639 10.485 1.00 0.00 H new ATOM 0 HG3 ARG A 32 1.366 1.152 10.954 1.00 0.00 H new ATOM 0 HD2 ARG A 32 0.860 -1.259 11.624 1.00 0.00 H new ATOM 0 HD3 ARG A 32 2.533 -1.660 11.287 1.00 0.00 H new ATOM 0 HE ARG A 32 1.521 -0.232 13.632 1.00 0.00 H new ATOM 0 HH11 ARG A 32 4.275 -0.659 11.472 1.00 0.00 H new ATOM 0 HH12 ARG A 32 5.455 -0.155 12.686 1.00 0.00 H new ATOM 0 HH21 ARG A 32 3.053 0.406 15.154 1.00 0.00 H new ATOM 0 HH22 ARG A 32 4.771 0.440 14.744 1.00 0.00 H new ATOM 556 N SER A 33 3.666 0.501 7.263 1.00 0.00 N ATOM 557 CA SER A 33 5.072 0.752 6.942 1.00 0.00 C ATOM 558 C SER A 33 5.198 2.020 6.103 1.00 0.00 C ATOM 559 O SER A 33 6.209 2.720 6.169 1.00 0.00 O ATOM 560 CB SER A 33 5.666 -0.433 6.174 1.00 0.00 C ATOM 561 OG SER A 33 5.586 -1.603 6.978 1.00 0.00 O ATOM 0 H SER A 33 3.302 -0.381 6.903 1.00 0.00 H new ATOM 0 HA SER A 33 5.621 0.880 7.875 1.00 0.00 H new ATOM 0 HB2 SER A 33 5.126 -0.583 5.239 1.00 0.00 H new ATOM 0 HB3 SER A 33 6.704 -0.228 5.913 1.00 0.00 H new ATOM 0 HG SER A 33 4.678 -1.969 6.933 1.00 0.00 H new ATOM 567 N LEU A 34 4.153 2.296 5.312 1.00 0.00 N ATOM 568 CA LEU A 34 4.113 3.475 4.446 1.00 0.00 C ATOM 569 C LEU A 34 4.250 4.746 5.284 1.00 0.00 C ATOM 570 O LEU A 34 4.999 5.659 4.932 1.00 0.00 O ATOM 571 CB LEU A 34 2.773 3.491 3.689 1.00 0.00 C ATOM 572 CG LEU A 34 2.932 4.115 2.291 1.00 0.00 C ATOM 573 CD1 LEU A 34 1.974 3.410 1.314 1.00 0.00 C ATOM 574 CD2 LEU A 34 2.608 5.624 2.346 1.00 0.00 C ATOM 0 H LEU A 34 3.319 1.712 5.256 1.00 0.00 H new ATOM 0 HA LEU A 34 4.939 3.435 3.736 1.00 0.00 H new ATOM 0 HB2 LEU A 34 2.393 2.474 3.595 1.00 0.00 H new ATOM 0 HB3 LEU A 34 2.036 4.055 4.260 1.00 0.00 H new ATOM 0 HG LEU A 34 3.960 3.990 1.951 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.081 3.847 0.321 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.215 2.348 1.271 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.947 3.536 1.657 1.00 0.00 H new ATOM 0 HD21 LEU A 34 2.723 6.057 1.352 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.582 5.764 2.686 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.290 6.118 3.038 1.00 0.00 H new ATOM 586 N TYR A 35 3.526 4.778 6.405 1.00 0.00 N ATOM 587 CA TYR A 35 3.573 5.920 7.315 1.00 0.00 C ATOM 588 C TYR A 35 4.962 6.029 7.947 1.00 0.00 C ATOM 589 O TYR A 35 5.501 7.130 8.091 1.00 0.00 O ATOM 590 CB TYR A 35 2.507 5.762 8.411 1.00 0.00 C ATOM 591 CG TYR A 35 2.454 7.018 9.265 1.00 0.00 C ATOM 592 CD1 TYR A 35 1.675 8.109 8.858 1.00 0.00 C ATOM 593 CD2 TYR A 35 3.188 7.090 10.458 1.00 0.00 C ATOM 594 CE1 TYR A 35 1.627 9.268 9.643 1.00 0.00 C ATOM 595 CE2 TYR A 35 3.138 8.249 11.242 1.00 0.00 C ATOM 596 CZ TYR A 35 2.359 9.337 10.835 1.00 0.00 C ATOM 597 OH TYR A 35 2.312 10.480 11.607 1.00 0.00 O ATOM 0 H TYR A 35 2.902 4.027 6.702 1.00 0.00 H new ATOM 0 HA TYR A 35 3.369 6.830 6.752 1.00 0.00 H new ATOM 0 HB2 TYR A 35 1.532 5.578 7.959 1.00 0.00 H new ATOM 0 HB3 TYR A 35 2.738 4.898 9.034 1.00 0.00 H new ATOM 0 HD1 TYR A 35 1.111 8.056 7.938 1.00 0.00 H new ATOM 0 HD2 TYR A 35 3.792 6.251 10.772 1.00 0.00 H new ATOM 0 HE1 TYR A 35 1.026 10.108 9.329 1.00 0.00 H new ATOM 0 HE2 TYR A 35 3.701 8.303 12.162 1.00 0.00 H new ATOM 0 HH TYR A 35 2.875 10.362 12.400 1.00 0.00 H new ATOM 607 N ASP A 36 5.523 4.878 8.337 1.00 0.00 N ATOM 608 CA ASP A 36 6.846 4.842 8.971 1.00 0.00 C ATOM 609 C ASP A 36 7.957 5.279 8.003 1.00 0.00 C ATOM 610 O ASP A 36 8.857 6.029 8.392 1.00 0.00 O ATOM 611 CB ASP A 36 7.141 3.427 9.486 1.00 0.00 C ATOM 612 CG ASP A 36 8.366 3.450 10.404 1.00 0.00 C ATOM 613 OD1 ASP A 36 8.189 3.681 11.590 1.00 0.00 O ATOM 614 OD2 ASP A 36 9.461 3.241 9.909 1.00 0.00 O ATOM 0 H ASP A 36 5.084 3.964 8.225 1.00 0.00 H new ATOM 0 HA ASP A 36 6.830 5.545 9.804 1.00 0.00 H new ATOM 0 HB2 ASP A 36 6.278 3.041 10.027 1.00 0.00 H new ATOM 0 HB3 ASP A 36 7.318 2.755 8.646 1.00 0.00 H new ATOM 619 N ASP A 37 7.893 4.797 6.751 1.00 0.00 N ATOM 620 CA ASP A 37 8.904 5.128 5.732 1.00 0.00 C ATOM 621 C ASP A 37 8.229 5.462 4.384 1.00 0.00 C ATOM 622 O ASP A 37 8.251 4.657 3.442 1.00 0.00 O ATOM 623 CB ASP A 37 9.885 3.950 5.557 1.00 0.00 C ATOM 624 CG ASP A 37 10.412 3.467 6.914 1.00 0.00 C ATOM 625 OD1 ASP A 37 11.063 4.247 7.593 1.00 0.00 O ATOM 626 OD2 ASP A 37 10.163 2.319 7.250 1.00 0.00 O ATOM 0 H ASP A 37 7.153 4.178 6.420 1.00 0.00 H new ATOM 0 HA ASP A 37 9.458 6.005 6.067 1.00 0.00 H new ATOM 0 HB2 ASP A 37 9.385 3.129 5.044 1.00 0.00 H new ATOM 0 HB3 ASP A 37 10.720 4.258 4.927 1.00 0.00 H new ATOM 631 N PRO A 38 7.625 6.628 4.272 1.00 0.00 N ATOM 632 CA PRO A 38 6.920 7.053 3.018 1.00 0.00 C ATOM 633 C PRO A 38 7.848 7.124 1.801 1.00 0.00 C ATOM 634 O PRO A 38 7.379 7.270 0.668 1.00 0.00 O ATOM 635 CB PRO A 38 6.340 8.431 3.364 1.00 0.00 C ATOM 636 CG PRO A 38 7.124 8.918 4.536 1.00 0.00 C ATOM 637 CD PRO A 38 7.547 7.674 5.312 1.00 0.00 C ATOM 0 HA PRO A 38 6.158 6.331 2.726 1.00 0.00 H new ATOM 0 HB2 PRO A 38 6.430 9.116 2.521 1.00 0.00 H new ATOM 0 HB3 PRO A 38 5.279 8.360 3.605 1.00 0.00 H new ATOM 0 HG2 PRO A 38 7.994 9.489 4.212 1.00 0.00 H new ATOM 0 HG3 PRO A 38 6.522 9.580 5.159 1.00 0.00 H new ATOM 0 HD2 PRO A 38 8.506 7.818 5.809 1.00 0.00 H new ATOM 0 HD3 PRO A 38 6.823 7.418 6.085 1.00 0.00 H new ATOM 645 N SER A 39 9.156 7.033 2.037 1.00 0.00 N ATOM 646 CA SER A 39 10.138 7.100 0.955 1.00 0.00 C ATOM 647 C SER A 39 9.967 5.953 -0.045 1.00 0.00 C ATOM 648 O SER A 39 10.372 6.087 -1.204 1.00 0.00 O ATOM 649 CB SER A 39 11.556 7.072 1.538 1.00 0.00 C ATOM 650 OG SER A 39 11.777 5.823 2.188 1.00 0.00 O ATOM 0 H SER A 39 9.560 6.913 2.966 1.00 0.00 H new ATOM 0 HA SER A 39 9.975 8.035 0.418 1.00 0.00 H new ATOM 0 HB2 SER A 39 12.290 7.216 0.745 1.00 0.00 H new ATOM 0 HB3 SER A 39 11.686 7.891 2.246 1.00 0.00 H new ATOM 0 HG SER A 39 12.684 5.803 2.559 1.00 0.00 H new ATOM 656 N GLN A 40 9.386 4.827 0.400 1.00 0.00 N ATOM 657 CA GLN A 40 9.194 3.668 -0.486 1.00 0.00 C ATOM 658 C GLN A 40 7.711 3.405 -0.770 1.00 0.00 C ATOM 659 O GLN A 40 7.355 2.320 -1.232 1.00 0.00 O ATOM 660 CB GLN A 40 9.841 2.421 0.143 1.00 0.00 C ATOM 661 CG GLN A 40 9.183 2.093 1.496 1.00 0.00 C ATOM 662 CD GLN A 40 10.242 2.011 2.596 1.00 0.00 C ATOM 663 OE1 GLN A 40 10.364 0.987 3.269 1.00 0.00 O ATOM 664 NE2 GLN A 40 11.021 3.035 2.819 1.00 0.00 N ATOM 0 H GLN A 40 9.046 4.695 1.353 1.00 0.00 H new ATOM 0 HA GLN A 40 9.675 3.892 -1.438 1.00 0.00 H new ATOM 0 HB2 GLN A 40 9.739 1.572 -0.533 1.00 0.00 H new ATOM 0 HB3 GLN A 40 10.909 2.590 0.283 1.00 0.00 H new ATOM 0 HG2 GLN A 40 8.448 2.858 1.746 1.00 0.00 H new ATOM 0 HG3 GLN A 40 8.647 1.147 1.427 1.00 0.00 H new ATOM 0 HE21 GLN A 40 10.920 3.883 2.262 1.00 0.00 H new ATOM 0 HE22 GLN A 40 11.730 2.986 3.550 1.00 0.00 H new ATOM 673 N SER A 41 6.851 4.402 -0.501 1.00 0.00 N ATOM 674 CA SER A 41 5.400 4.259 -0.731 1.00 0.00 C ATOM 675 C SER A 41 5.104 3.699 -2.122 1.00 0.00 C ATOM 676 O SER A 41 4.180 2.897 -2.291 1.00 0.00 O ATOM 677 CB SER A 41 4.703 5.615 -0.582 1.00 0.00 C ATOM 678 OG SER A 41 4.987 6.156 0.697 1.00 0.00 O ATOM 0 H SER A 41 7.130 5.309 -0.127 1.00 0.00 H new ATOM 0 HA SER A 41 5.021 3.560 0.015 1.00 0.00 H new ATOM 0 HB2 SER A 41 5.043 6.298 -1.361 1.00 0.00 H new ATOM 0 HB3 SER A 41 3.627 5.498 -0.708 1.00 0.00 H new ATOM 0 HG SER A 41 5.698 6.826 0.618 1.00 0.00 H new ATOM 684 N ALA A 42 5.900 4.118 -3.106 1.00 0.00 N ATOM 685 CA ALA A 42 5.723 3.644 -4.478 1.00 0.00 C ATOM 686 C ALA A 42 5.975 2.136 -4.559 1.00 0.00 C ATOM 687 O ALA A 42 5.208 1.397 -5.190 1.00 0.00 O ATOM 688 CB ALA A 42 6.692 4.377 -5.410 1.00 0.00 C ATOM 0 H ALA A 42 6.667 4.779 -2.980 1.00 0.00 H new ATOM 0 HA ALA A 42 4.698 3.847 -4.787 1.00 0.00 H new ATOM 0 HB1 ALA A 42 6.556 4.020 -6.431 1.00 0.00 H new ATOM 0 HB2 ALA A 42 6.494 5.448 -5.371 1.00 0.00 H new ATOM 0 HB3 ALA A 42 7.717 4.186 -5.093 1.00 0.00 H new ATOM 694 N ASN A 43 7.059 1.694 -3.915 1.00 0.00 N ATOM 695 CA ASN A 43 7.428 0.277 -3.914 1.00 0.00 C ATOM 696 C ASN A 43 6.371 -0.566 -3.205 1.00 0.00 C ATOM 697 O ASN A 43 5.970 -1.609 -3.712 1.00 0.00 O ATOM 698 CB ASN A 43 8.770 0.074 -3.192 1.00 0.00 C ATOM 699 CG ASN A 43 9.885 0.909 -3.824 1.00 0.00 C ATOM 700 OD1 ASN A 43 9.777 1.353 -4.969 1.00 0.00 O ATOM 701 ND2 ASN A 43 10.964 1.141 -3.133 1.00 0.00 N ATOM 0 H ASN A 43 7.694 2.295 -3.390 1.00 0.00 H new ATOM 0 HA ASN A 43 7.508 -0.039 -4.954 1.00 0.00 H new ATOM 0 HB2 ASN A 43 8.663 0.346 -2.142 1.00 0.00 H new ATOM 0 HB3 ASN A 43 9.044 -0.981 -3.222 1.00 0.00 H new ATOM 0 HD21 ASN A 43 11.721 1.691 -3.539 1.00 0.00 H new ATOM 0 HD22 ASN A 43 11.052 0.773 -2.186 1.00 0.00 H new ATOM 708 N LEU A 44 5.946 -0.112 -2.023 1.00 0.00 N ATOM 709 CA LEU A 44 4.953 -0.842 -1.223 1.00 0.00 C ATOM 710 C LEU A 44 3.666 -1.074 -2.014 1.00 0.00 C ATOM 711 O LEU A 44 3.087 -2.162 -1.963 1.00 0.00 O ATOM 712 CB LEU A 44 4.622 -0.051 0.043 1.00 0.00 C ATOM 713 CG LEU A 44 5.902 0.272 0.853 1.00 0.00 C ATOM 714 CD1 LEU A 44 5.542 1.104 2.089 1.00 0.00 C ATOM 715 CD2 LEU A 44 6.610 -1.015 1.306 1.00 0.00 C ATOM 0 H LEU A 44 6.272 0.756 -1.597 1.00 0.00 H new ATOM 0 HA LEU A 44 5.382 -1.809 -0.961 1.00 0.00 H new ATOM 0 HB2 LEU A 44 4.115 0.876 -0.226 1.00 0.00 H new ATOM 0 HB3 LEU A 44 3.931 -0.623 0.662 1.00 0.00 H new ATOM 0 HG LEU A 44 6.574 0.835 0.206 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.447 1.327 2.654 1.00 0.00 H new ATOM 0 HD12 LEU A 44 5.071 2.036 1.776 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.852 0.542 2.718 1.00 0.00 H new ATOM 0 HD21 LEU A 44 7.505 -0.758 1.872 1.00 0.00 H new ATOM 0 HD22 LEU A 44 5.938 -1.598 1.935 1.00 0.00 H new ATOM 0 HD23 LEU A 44 6.890 -1.603 0.432 1.00 0.00 H new ATOM 727 N LEU A 45 3.231 -0.046 -2.751 1.00 0.00 N ATOM 728 CA LEU A 45 2.016 -0.141 -3.572 1.00 0.00 C ATOM 729 C LEU A 45 2.181 -1.245 -4.615 1.00 0.00 C ATOM 730 O LEU A 45 1.324 -2.124 -4.751 1.00 0.00 O ATOM 731 CB LEU A 45 1.768 1.216 -4.249 1.00 0.00 C ATOM 732 CG LEU A 45 0.721 1.106 -5.382 1.00 0.00 C ATOM 733 CD1 LEU A 45 -0.622 0.617 -4.824 1.00 0.00 C ATOM 734 CD2 LEU A 45 0.528 2.483 -6.036 1.00 0.00 C ATOM 0 H LEU A 45 3.699 0.859 -2.797 1.00 0.00 H new ATOM 0 HA LEU A 45 1.159 -0.390 -2.946 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.426 1.936 -3.506 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.705 1.597 -4.655 1.00 0.00 H new ATOM 0 HG LEU A 45 1.079 0.390 -6.122 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.348 0.545 -5.634 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.491 -0.363 -4.366 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.983 1.322 -4.075 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.210 2.406 -6.835 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.180 3.196 -5.288 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.476 2.825 -6.450 1.00 0.00 H new ATOM 746 N ALA A 46 3.303 -1.192 -5.325 1.00 0.00 N ATOM 747 CA ALA A 46 3.611 -2.199 -6.345 1.00 0.00 C ATOM 748 C ALA A 46 3.730 -3.577 -5.692 1.00 0.00 C ATOM 749 O ALA A 46 3.218 -4.570 -6.210 1.00 0.00 O ATOM 750 CB ALA A 46 4.928 -1.848 -7.039 1.00 0.00 C ATOM 0 H ALA A 46 4.013 -0.468 -5.217 1.00 0.00 H new ATOM 0 HA ALA A 46 2.808 -2.216 -7.082 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.152 -2.600 -7.796 1.00 0.00 H new ATOM 0 HB2 ALA A 46 4.840 -0.870 -7.513 1.00 0.00 H new ATOM 0 HB3 ALA A 46 5.732 -1.823 -6.303 1.00 0.00 H new ATOM 756 N GLU A 47 4.407 -3.605 -4.543 1.00 0.00 N ATOM 757 CA GLU A 47 4.609 -4.836 -3.780 1.00 0.00 C ATOM 758 C GLU A 47 3.269 -5.447 -3.367 1.00 0.00 C ATOM 759 O GLU A 47 3.108 -6.673 -3.383 1.00 0.00 O ATOM 760 CB GLU A 47 5.447 -4.535 -2.529 1.00 0.00 C ATOM 761 CG GLU A 47 6.936 -4.380 -2.900 1.00 0.00 C ATOM 762 CD GLU A 47 7.527 -5.714 -3.382 1.00 0.00 C ATOM 763 OE1 GLU A 47 7.414 -6.694 -2.659 1.00 0.00 O ATOM 764 OE2 GLU A 47 8.097 -5.734 -4.462 1.00 0.00 O ATOM 0 H GLU A 47 4.828 -2.779 -4.118 1.00 0.00 H new ATOM 0 HA GLU A 47 5.135 -5.552 -4.412 1.00 0.00 H new ATOM 0 HB2 GLU A 47 5.088 -3.622 -2.054 1.00 0.00 H new ATOM 0 HB3 GLU A 47 5.329 -5.339 -1.803 1.00 0.00 H new ATOM 0 HG2 GLU A 47 7.043 -3.628 -3.681 1.00 0.00 H new ATOM 0 HG3 GLU A 47 7.494 -4.023 -2.035 1.00 0.00 H new ATOM 771 N ALA A 48 2.311 -4.587 -3.010 1.00 0.00 N ATOM 772 CA ALA A 48 0.982 -5.051 -2.612 1.00 0.00 C ATOM 773 C ALA A 48 0.316 -5.753 -3.792 1.00 0.00 C ATOM 774 O ALA A 48 -0.209 -6.864 -3.658 1.00 0.00 O ATOM 775 CB ALA A 48 0.127 -3.861 -2.159 1.00 0.00 C ATOM 0 H ALA A 48 2.430 -3.574 -2.989 1.00 0.00 H new ATOM 0 HA ALA A 48 1.076 -5.751 -1.782 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.861 -4.214 -1.864 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.605 -3.371 -1.311 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.028 -3.151 -2.980 1.00 0.00 H new ATOM 781 N LYS A 49 0.372 -5.098 -4.952 1.00 0.00 N ATOM 782 CA LYS A 49 -0.187 -5.638 -6.173 1.00 0.00 C ATOM 783 C LYS A 49 0.527 -6.938 -6.556 1.00 0.00 C ATOM 784 O LYS A 49 -0.105 -7.884 -7.034 1.00 0.00 O ATOM 785 CB LYS A 49 -0.023 -4.589 -7.265 1.00 0.00 C ATOM 786 CG LYS A 49 -0.770 -5.012 -8.525 1.00 0.00 C ATOM 787 CD LYS A 49 -0.828 -3.825 -9.495 1.00 0.00 C ATOM 788 CE LYS A 49 0.579 -3.403 -9.953 1.00 0.00 C ATOM 789 NZ LYS A 49 1.332 -4.591 -10.455 1.00 0.00 N ATOM 0 H LYS A 49 0.806 -4.182 -5.063 1.00 0.00 H new ATOM 0 HA LYS A 49 -1.243 -5.872 -6.037 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -0.402 -3.629 -6.915 1.00 0.00 H new ATOM 0 HB3 LYS A 49 1.035 -4.452 -7.490 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -0.267 -5.857 -8.995 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -1.778 -5.341 -8.272 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -1.430 -4.092 -10.364 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -1.323 -2.982 -9.012 1.00 0.00 H new ATOM 0 HE2 LYS A 49 0.504 -2.651 -10.739 1.00 0.00 H new ATOM 0 HE3 LYS A 49 1.118 -2.945 -9.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 2.156 -4.273 -11.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 1.653 -5.165 -9.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 0.712 -5.164 -11.062 1.00 0.00 H new ATOM 803 N LYS A 50 1.849 -6.974 -6.330 1.00 0.00 N ATOM 804 CA LYS A 50 2.646 -8.164 -6.638 1.00 0.00 C ATOM 805 C LYS A 50 2.140 -9.363 -5.835 1.00 0.00 C ATOM 806 O LYS A 50 1.952 -10.452 -6.386 1.00 0.00 O ATOM 807 CB LYS A 50 4.131 -7.905 -6.334 1.00 0.00 C ATOM 808 CG LYS A 50 4.753 -7.108 -7.494 1.00 0.00 C ATOM 809 CD LYS A 50 6.171 -6.651 -7.127 1.00 0.00 C ATOM 810 CE LYS A 50 7.125 -7.853 -7.074 1.00 0.00 C ATOM 811 NZ LYS A 50 8.500 -7.374 -6.751 1.00 0.00 N ATOM 0 H LYS A 50 2.382 -6.198 -5.938 1.00 0.00 H new ATOM 0 HA LYS A 50 2.543 -8.388 -7.700 1.00 0.00 H new ATOM 0 HB2 LYS A 50 4.232 -7.351 -5.401 1.00 0.00 H new ATOM 0 HB3 LYS A 50 4.658 -8.850 -6.202 1.00 0.00 H new ATOM 0 HG2 LYS A 50 4.784 -7.724 -8.392 1.00 0.00 H new ATOM 0 HG3 LYS A 50 4.132 -6.242 -7.723 1.00 0.00 H new ATOM 0 HD2 LYS A 50 6.528 -5.928 -7.860 1.00 0.00 H new ATOM 0 HD3 LYS A 50 6.158 -6.146 -6.161 1.00 0.00 H new ATOM 0 HE2 LYS A 50 6.789 -8.566 -6.321 1.00 0.00 H new ATOM 0 HE3 LYS A 50 7.124 -8.375 -8.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 9.113 -8.189 -6.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 8.883 -6.847 -7.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 8.464 -6.751 -5.919 1.00 0.00 H new ATOM 825 N LEU A 51 1.889 -9.145 -4.540 1.00 0.00 N ATOM 826 CA LEU A 51 1.370 -10.212 -3.683 1.00 0.00 C ATOM 827 C LEU A 51 -0.027 -10.618 -4.151 1.00 0.00 C ATOM 828 O LEU A 51 -0.357 -11.805 -4.170 1.00 0.00 O ATOM 829 CB LEU A 51 1.342 -9.748 -2.214 1.00 0.00 C ATOM 830 CG LEU A 51 2.698 -10.051 -1.549 1.00 0.00 C ATOM 831 CD1 LEU A 51 2.876 -9.164 -0.314 1.00 0.00 C ATOM 832 CD2 LEU A 51 2.757 -11.531 -1.131 1.00 0.00 C ATOM 0 H LEU A 51 2.035 -8.252 -4.069 1.00 0.00 H new ATOM 0 HA LEU A 51 2.026 -11.080 -3.753 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.132 -8.680 -2.164 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.541 -10.256 -1.677 1.00 0.00 H new ATOM 0 HG LEU A 51 3.497 -9.847 -2.261 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.836 -9.381 0.154 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.846 -8.116 -0.611 1.00 0.00 H new ATOM 0 HD13 LEU A 51 2.073 -9.363 0.396 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.719 -11.738 -0.661 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.955 -11.742 -0.424 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.639 -12.163 -2.011 1.00 0.00 H new ATOM 844 N ASN A 52 -0.832 -9.623 -4.540 1.00 0.00 N ATOM 845 CA ASN A 52 -2.189 -9.878 -5.028 1.00 0.00 C ATOM 846 C ASN A 52 -2.148 -10.774 -6.266 1.00 0.00 C ATOM 847 O ASN A 52 -2.873 -11.770 -6.350 1.00 0.00 O ATOM 848 CB ASN A 52 -2.874 -8.543 -5.362 1.00 0.00 C ATOM 849 CG ASN A 52 -4.137 -8.755 -6.204 1.00 0.00 C ATOM 850 OD1 ASN A 52 -5.258 -9.067 -5.623 1.00 0.00 O flip ATOM 851 ND2 ASN A 52 -4.096 -8.629 -7.428 1.00 0.00 N flip ATOM 0 H ASN A 52 -0.567 -8.638 -4.526 1.00 0.00 H new ATOM 0 HA ASN A 52 -2.758 -10.389 -4.251 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -3.134 -8.025 -4.439 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -2.178 -7.901 -5.903 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -3.218 -8.384 -7.886 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -4.940 -8.769 -7.984 1.00 0.00 H new ATOM 858 N ASP A 53 -1.295 -10.401 -7.219 1.00 0.00 N ATOM 859 CA ASP A 53 -1.150 -11.157 -8.461 1.00 0.00 C ATOM 860 C ASP A 53 -0.667 -12.580 -8.190 1.00 0.00 C ATOM 861 O ASP A 53 -1.096 -13.523 -8.860 1.00 0.00 O ATOM 862 CB ASP A 53 -0.154 -10.441 -9.382 1.00 0.00 C ATOM 863 CG ASP A 53 -0.090 -11.127 -10.750 1.00 0.00 C ATOM 864 OD1 ASP A 53 -0.935 -10.831 -11.580 1.00 0.00 O ATOM 865 OD2 ASP A 53 0.799 -11.940 -10.946 1.00 0.00 O ATOM 0 H ASP A 53 -0.694 -9.579 -7.154 1.00 0.00 H new ATOM 0 HA ASP A 53 -2.126 -11.216 -8.942 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -0.450 -9.399 -9.506 1.00 0.00 H new ATOM 0 HB3 ASP A 53 0.835 -10.439 -8.924 1.00 0.00 H new ATOM 870 N ALA A 54 0.248 -12.721 -7.228 1.00 0.00 N ATOM 871 CA ALA A 54 0.809 -14.030 -6.905 1.00 0.00 C ATOM 872 C ALA A 54 -0.181 -14.909 -6.127 1.00 0.00 C ATOM 873 O ALA A 54 -0.415 -16.063 -6.498 1.00 0.00 O ATOM 874 CB ALA A 54 2.092 -13.855 -6.086 1.00 0.00 C ATOM 0 H ALA A 54 0.612 -11.952 -6.665 1.00 0.00 H new ATOM 0 HA ALA A 54 1.029 -14.533 -7.847 1.00 0.00 H new ATOM 0 HB1 ALA A 54 2.507 -14.834 -5.847 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.818 -13.284 -6.665 1.00 0.00 H new ATOM 0 HB3 ALA A 54 1.864 -13.322 -5.163 1.00 0.00 H new ATOM 880 N GLN A 55 -0.742 -14.362 -5.043 1.00 0.00 N ATOM 881 CA GLN A 55 -1.693 -15.106 -4.201 1.00 0.00 C ATOM 882 C GLN A 55 -2.983 -15.429 -4.958 1.00 0.00 C ATOM 883 O GLN A 55 -3.658 -16.413 -4.643 1.00 0.00 O ATOM 884 CB GLN A 55 -2.034 -14.302 -2.935 1.00 0.00 C ATOM 885 CG GLN A 55 -0.784 -14.126 -2.062 1.00 0.00 C ATOM 886 CD GLN A 55 -1.018 -12.995 -1.067 1.00 0.00 C ATOM 887 OE1 GLN A 55 -1.368 -11.822 -1.517 1.00 0.00 O flip ATOM 888 NE2 GLN A 55 -0.887 -13.186 0.141 1.00 0.00 N flip ATOM 0 H GLN A 55 -0.557 -13.410 -4.727 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.213 -16.044 -3.922 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -2.432 -13.326 -3.212 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -2.812 -14.815 -2.369 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -0.564 -15.052 -1.532 1.00 0.00 H new ATOM 0 HG3 GLN A 55 0.081 -13.903 -2.687 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -0.613 -14.106 0.485 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -1.052 -12.424 0.799 1.00 0.00 H new ATOM 897 N ALA A 56 -3.328 -14.585 -5.936 1.00 0.00 N ATOM 898 CA ALA A 56 -4.552 -14.773 -6.721 1.00 0.00 C ATOM 899 C ALA A 56 -4.586 -16.158 -7.387 1.00 0.00 C ATOM 900 O ALA A 56 -3.544 -16.677 -7.796 1.00 0.00 O ATOM 901 CB ALA A 56 -4.655 -13.686 -7.796 1.00 0.00 C ATOM 0 H ALA A 56 -2.779 -13.768 -6.202 1.00 0.00 H new ATOM 0 HA ALA A 56 -5.400 -14.701 -6.039 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -5.567 -13.832 -8.375 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -4.680 -12.705 -7.321 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -3.791 -13.746 -8.458 1.00 0.00 H new ATOM 907 N PRO A 57 -5.761 -16.759 -7.502 1.00 0.00 N ATOM 908 CA PRO A 57 -5.927 -18.107 -8.130 1.00 0.00 C ATOM 909 C PRO A 57 -5.776 -18.060 -9.652 1.00 0.00 C ATOM 910 O PRO A 57 -6.059 -17.035 -10.281 1.00 0.00 O ATOM 911 CB PRO A 57 -7.346 -18.523 -7.727 1.00 0.00 C ATOM 912 CG PRO A 57 -8.086 -17.242 -7.531 1.00 0.00 C ATOM 913 CD PRO A 57 -7.060 -16.216 -7.050 1.00 0.00 C ATOM 0 HA PRO A 57 -5.164 -18.811 -7.797 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -7.812 -19.133 -8.500 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -7.338 -19.117 -6.813 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -8.552 -16.917 -8.461 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -8.885 -17.364 -6.800 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -7.251 -15.232 -7.478 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -7.088 -16.103 -5.966 1.00 0.00 H new ATOM 921 N LYS A 58 -5.327 -19.179 -10.226 1.00 0.00 N ATOM 922 CA LYS A 58 -5.127 -19.296 -11.665 1.00 0.00 C ATOM 923 C LYS A 58 -5.754 -20.593 -12.188 1.00 0.00 C ATOM 924 O LYS A 58 -5.431 -21.645 -11.655 1.00 0.00 O ATOM 925 CB LYS A 58 -3.628 -19.280 -11.965 1.00 0.00 C ATOM 926 CG LYS A 58 -3.419 -19.191 -13.475 1.00 0.00 C ATOM 927 CD LYS A 58 -1.933 -19.367 -13.815 1.00 0.00 C ATOM 928 CE LYS A 58 -1.149 -18.100 -13.446 1.00 0.00 C ATOM 929 NZ LYS A 58 0.295 -18.309 -13.749 1.00 0.00 N ATOM 930 OXT LYS A 58 -6.547 -20.519 -13.115 1.00 0.00 O ATOM 0 H LYS A 58 -5.094 -20.024 -9.705 1.00 0.00 H new ATOM 0 HA LYS A 58 -5.610 -18.456 -12.165 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -3.155 -18.432 -11.470 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -3.157 -20.181 -11.573 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -4.008 -19.959 -13.977 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -3.772 -18.227 -13.842 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -1.528 -20.223 -13.276 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -1.819 -19.577 -14.878 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -1.530 -17.246 -14.006 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -1.281 -17.872 -12.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 0.829 -17.452 -13.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 0.653 -19.113 -13.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 0.412 -18.507 -14.763 1.00 0.00 H new TER 944 LYS A 58