USER MOD reduce.3.24.130724 H: found=0, std=0, add=469, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 469 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 : amide:sc= -0.745 K(o=-5.9,f=-7.2!) USER MOD Set 1.2: A 55 GLN : amide:sc= -5.17! C(o=-5.9!,f=-7.2!) USER MOD Set 2.1: A 40 GLN : amide:sc= 0.766 K(o=1.9,f=-1.6) USER MOD Set 2.2: A 43 ASN : amide:sc= 1.14 K(o=1.9,f=-1.1) USER MOD Set 3.1: A 21 ASN :FLIP amide:sc= -1.85 F(o=-7.3!,f=-3.3) USER MOD Set 3.2: A 52 ASN : amide:sc= -1.44 K(o=-3.3,f=-11!) USER MOD Single : A 1 VAL N :NH3+ 127:sc= 0.0725 (180deg=-0.197) USER MOD Single : A 3 ASN : amide:sc= -0.0874 X(o=-0.087,f=0) USER MOD Single : A 4 LYS NZ :NH3+ -137:sc= -0.217 (180deg=-2.46) USER MOD Single : A 6 ASN : amide:sc= -0.0684 X(o=-0.068,f=-0.31) USER MOD Single : A 7 LYS NZ :NH3+ 156:sc= -0.144 (180deg=-0.904) USER MOD Single : A 17 MET CE :methyl 173:sc= -10.4! (180deg=-10.8!) USER MOD Single : A 23 ASN : amide:sc= -0.0584 K(o=-0.058,f=-9.3!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= 0.301 K(o=0.3,f=-3.6!) USER MOD Single : A 33 SER OG : rot 67:sc= 0.72 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 145:sc= -1.01 USER MOD Single : A 49 LYS NZ :NH3+ -157:sc= -3.2! (180deg=-3.7!) USER MOD Single : A 50 LYS NZ :NH3+ -108:sc= 0.777 (180deg=-1.02) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -5.061 -17.585 15.896 1.00 0.00 N ATOM 2 CA VAL A 1 -3.633 -17.629 15.467 1.00 0.00 C ATOM 3 C VAL A 1 -3.232 -16.266 14.899 1.00 0.00 C ATOM 4 O VAL A 1 -4.087 -15.482 14.478 1.00 0.00 O ATOM 5 CB VAL A 1 -3.452 -18.740 14.410 1.00 0.00 C ATOM 6 CG1 VAL A 1 -4.195 -18.374 13.114 1.00 0.00 C ATOM 7 CG2 VAL A 1 -1.959 -18.935 14.106 1.00 0.00 C ATOM 0 H1 VAL A 1 -5.581 -18.370 15.454 1.00 0.00 H new ATOM 0 H2 VAL A 1 -5.115 -17.672 16.931 1.00 0.00 H new ATOM 0 H3 VAL A 1 -5.484 -16.681 15.602 1.00 0.00 H new ATOM 0 HA VAL A 1 -2.991 -17.852 16.320 1.00 0.00 H new ATOM 0 HB VAL A 1 -3.867 -19.667 14.807 1.00 0.00 H new ATOM 0 HG11 VAL A 1 -4.057 -19.167 12.379 1.00 0.00 H new ATOM 0 HG12 VAL A 1 -5.258 -18.255 13.325 1.00 0.00 H new ATOM 0 HG13 VAL A 1 -3.797 -17.440 12.718 1.00 0.00 H new ATOM 0 HG21 VAL A 1 -1.839 -19.720 13.360 1.00 0.00 H new ATOM 0 HG22 VAL A 1 -1.541 -18.004 13.723 1.00 0.00 H new ATOM 0 HG23 VAL A 1 -1.436 -19.219 15.019 1.00 0.00 H new ATOM 19 N ASP A 2 -1.925 -15.999 14.887 1.00 0.00 N ATOM 20 CA ASP A 2 -1.408 -14.735 14.368 1.00 0.00 C ATOM 21 C ASP A 2 -1.561 -14.674 12.849 1.00 0.00 C ATOM 22 O ASP A 2 -1.278 -15.649 12.148 1.00 0.00 O ATOM 23 CB ASP A 2 0.072 -14.577 14.739 1.00 0.00 C ATOM 24 CG ASP A 2 0.584 -13.209 14.280 1.00 0.00 C ATOM 25 OD1 ASP A 2 0.386 -12.250 15.006 1.00 0.00 O ATOM 26 OD2 ASP A 2 1.157 -13.142 13.206 1.00 0.00 O ATOM 0 H ASP A 2 -1.209 -16.639 15.230 1.00 0.00 H new ATOM 0 HA ASP A 2 -1.982 -13.923 14.814 1.00 0.00 H new ATOM 0 HB2 ASP A 2 0.198 -14.679 15.817 1.00 0.00 H new ATOM 0 HB3 ASP A 2 0.659 -15.369 14.273 1.00 0.00 H new ATOM 31 N ASN A 3 -2.007 -13.520 12.358 1.00 0.00 N ATOM 32 CA ASN A 3 -2.195 -13.317 10.924 1.00 0.00 C ATOM 33 C ASN A 3 -0.924 -12.743 10.307 1.00 0.00 C ATOM 34 O ASN A 3 -0.247 -11.914 10.918 1.00 0.00 O ATOM 35 CB ASN A 3 -3.366 -12.357 10.682 1.00 0.00 C ATOM 36 CG ASN A 3 -4.634 -12.889 11.350 1.00 0.00 C ATOM 37 OD1 ASN A 3 -5.316 -12.154 12.062 1.00 0.00 O ATOM 38 ND2 ASN A 3 -4.991 -14.130 11.161 1.00 0.00 N ATOM 0 H ASN A 3 -2.245 -12.711 12.932 1.00 0.00 H new ATOM 0 HA ASN A 3 -2.416 -14.277 10.458 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -3.124 -11.371 11.078 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -3.533 -12.239 9.611 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -5.836 -14.491 11.604 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -4.425 -14.739 10.570 1.00 0.00 H new ATOM 45 N LYS A 4 -0.606 -13.191 9.091 1.00 0.00 N ATOM 46 CA LYS A 4 0.592 -12.719 8.392 1.00 0.00 C ATOM 47 C LYS A 4 0.339 -11.368 7.737 1.00 0.00 C ATOM 48 O LYS A 4 1.187 -10.846 7.007 1.00 0.00 O ATOM 49 CB LYS A 4 1.032 -13.739 7.330 1.00 0.00 C ATOM 50 CG LYS A 4 1.201 -15.132 7.962 1.00 0.00 C ATOM 51 CD LYS A 4 2.413 -15.149 8.912 1.00 0.00 C ATOM 52 CE LYS A 4 2.027 -15.809 10.241 1.00 0.00 C ATOM 53 NZ LYS A 4 1.134 -14.896 11.009 1.00 0.00 N ATOM 0 H LYS A 4 -1.157 -13.875 8.572 1.00 0.00 H new ATOM 0 HA LYS A 4 1.389 -12.606 9.128 1.00 0.00 H new ATOM 0 HB2 LYS A 4 0.293 -13.783 6.530 1.00 0.00 H new ATOM 0 HB3 LYS A 4 1.972 -13.421 6.878 1.00 0.00 H new ATOM 0 HG2 LYS A 4 0.298 -15.401 8.510 1.00 0.00 H new ATOM 0 HG3 LYS A 4 1.334 -15.879 7.180 1.00 0.00 H new ATOM 0 HD2 LYS A 4 3.238 -15.693 8.452 1.00 0.00 H new ATOM 0 HD3 LYS A 4 2.761 -14.131 9.089 1.00 0.00 H new ATOM 0 HE2 LYS A 4 1.522 -16.757 10.055 1.00 0.00 H new ATOM 0 HE3 LYS A 4 2.922 -16.033 10.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 1.421 -14.890 12.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 1.206 -13.933 10.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 0.151 -15.227 10.933 1.00 0.00 H new ATOM 67 N PHE A 5 -0.837 -10.819 8.004 1.00 0.00 N ATOM 68 CA PHE A 5 -1.236 -9.537 7.448 1.00 0.00 C ATOM 69 C PHE A 5 -0.234 -8.442 7.744 1.00 0.00 C ATOM 70 O PHE A 5 0.229 -7.765 6.839 1.00 0.00 O ATOM 71 CB PHE A 5 -2.532 -9.085 8.109 1.00 0.00 C ATOM 72 CG PHE A 5 -3.741 -9.688 7.450 1.00 0.00 C ATOM 73 CD1 PHE A 5 -3.784 -11.057 7.147 1.00 0.00 C ATOM 74 CD2 PHE A 5 -4.835 -8.865 7.153 1.00 0.00 C ATOM 75 CE1 PHE A 5 -4.930 -11.593 6.541 1.00 0.00 C ATOM 76 CE2 PHE A 5 -5.971 -9.399 6.551 1.00 0.00 C ATOM 77 CZ PHE A 5 -6.022 -10.758 6.244 1.00 0.00 C ATOM 0 H PHE A 5 -1.537 -11.248 8.609 1.00 0.00 H new ATOM 0 HA PHE A 5 -1.327 -9.684 6.372 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -2.517 -9.363 9.163 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -2.600 -7.998 8.067 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -2.942 -11.693 7.378 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -4.797 -7.812 7.392 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -4.974 -12.646 6.303 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -6.812 -8.761 6.322 1.00 0.00 H new ATOM 0 HZ PHE A 5 -6.903 -11.171 5.776 1.00 0.00 H new ATOM 87 N ASN A 6 0.046 -8.242 9.028 1.00 0.00 N ATOM 88 CA ASN A 6 0.932 -7.168 9.442 1.00 0.00 C ATOM 89 C ASN A 6 2.273 -7.235 8.744 1.00 0.00 C ATOM 90 O ASN A 6 2.721 -6.240 8.210 1.00 0.00 O ATOM 91 CB ASN A 6 1.154 -7.235 10.947 1.00 0.00 C ATOM 92 CG ASN A 6 -0.177 -7.117 11.689 1.00 0.00 C ATOM 93 OD1 ASN A 6 -1.002 -6.264 11.360 1.00 0.00 O ATOM 94 ND2 ASN A 6 -0.438 -7.932 12.673 1.00 0.00 N ATOM 0 H ASN A 6 -0.326 -8.806 9.792 1.00 0.00 H new ATOM 0 HA ASN A 6 0.453 -6.228 9.167 1.00 0.00 H new ATOM 0 HB2 ASN A 6 1.640 -8.175 11.208 1.00 0.00 H new ATOM 0 HB3 ASN A 6 1.823 -6.433 11.258 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -1.326 -7.863 13.170 1.00 0.00 H new ATOM 0 HD22 ASN A 6 0.246 -8.638 12.945 1.00 0.00 H new ATOM 101 N LYS A 7 2.891 -8.408 8.719 1.00 0.00 N ATOM 102 CA LYS A 7 4.184 -8.555 8.058 1.00 0.00 C ATOM 103 C LYS A 7 4.079 -8.185 6.584 1.00 0.00 C ATOM 104 O LYS A 7 4.934 -7.480 6.056 1.00 0.00 O ATOM 105 CB LYS A 7 4.688 -9.995 8.231 1.00 0.00 C ATOM 106 CG LYS A 7 5.861 -10.311 7.275 1.00 0.00 C ATOM 107 CD LYS A 7 7.036 -9.336 7.483 1.00 0.00 C ATOM 108 CE LYS A 7 7.725 -9.594 8.827 1.00 0.00 C ATOM 109 NZ LYS A 7 8.186 -11.011 8.896 1.00 0.00 N ATOM 0 H LYS A 7 2.526 -9.261 9.142 1.00 0.00 H new ATOM 0 HA LYS A 7 4.901 -7.875 8.518 1.00 0.00 H new ATOM 0 HB2 LYS A 7 5.008 -10.147 9.262 1.00 0.00 H new ATOM 0 HB3 LYS A 7 3.870 -10.691 8.045 1.00 0.00 H new ATOM 0 HG2 LYS A 7 6.201 -11.333 7.440 1.00 0.00 H new ATOM 0 HG3 LYS A 7 5.516 -10.253 6.243 1.00 0.00 H new ATOM 0 HD2 LYS A 7 7.756 -9.449 6.672 1.00 0.00 H new ATOM 0 HD3 LYS A 7 6.673 -8.309 7.446 1.00 0.00 H new ATOM 0 HE2 LYS A 7 8.573 -8.920 8.946 1.00 0.00 H new ATOM 0 HE3 LYS A 7 7.035 -9.386 9.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 8.971 -11.088 9.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 7.400 -11.617 9.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 8.508 -11.317 7.956 1.00 0.00 H new ATOM 123 N GLU A 8 3.015 -8.637 5.940 1.00 0.00 N ATOM 124 CA GLU A 8 2.796 -8.338 4.535 1.00 0.00 C ATOM 125 C GLU A 8 2.452 -6.858 4.369 1.00 0.00 C ATOM 126 O GLU A 8 2.834 -6.219 3.389 1.00 0.00 O ATOM 127 CB GLU A 8 1.660 -9.238 4.037 1.00 0.00 C ATOM 128 CG GLU A 8 1.488 -9.107 2.523 1.00 0.00 C ATOM 129 CD GLU A 8 1.126 -10.461 1.896 1.00 0.00 C ATOM 130 OE1 GLU A 8 0.289 -11.156 2.453 1.00 0.00 O ATOM 131 OE2 GLU A 8 1.677 -10.772 0.853 1.00 0.00 O ATOM 0 H GLU A 8 2.290 -9.212 6.368 1.00 0.00 H new ATOM 0 HA GLU A 8 3.694 -8.531 3.948 1.00 0.00 H new ATOM 0 HB2 GLU A 8 1.872 -10.276 4.295 1.00 0.00 H new ATOM 0 HB3 GLU A 8 0.730 -8.969 4.538 1.00 0.00 H new ATOM 0 HG2 GLU A 8 0.707 -8.379 2.303 1.00 0.00 H new ATOM 0 HG3 GLU A 8 2.409 -8.730 2.079 1.00 0.00 H new ATOM 138 N ARG A 9 1.731 -6.341 5.358 1.00 0.00 N ATOM 139 CA ARG A 9 1.303 -4.960 5.397 1.00 0.00 C ATOM 140 C ARG A 9 2.440 -4.010 5.759 1.00 0.00 C ATOM 141 O ARG A 9 2.449 -2.898 5.284 1.00 0.00 O ATOM 142 CB ARG A 9 0.147 -4.797 6.390 1.00 0.00 C ATOM 143 CG ARG A 9 -1.123 -5.429 5.801 1.00 0.00 C ATOM 144 CD ARG A 9 -2.229 -5.508 6.858 1.00 0.00 C ATOM 145 NE ARG A 9 -2.823 -4.190 7.081 1.00 0.00 N ATOM 146 CZ ARG A 9 -2.272 -3.310 7.912 1.00 0.00 C ATOM 147 NH1 ARG A 9 -2.070 -3.628 9.160 1.00 0.00 N ATOM 148 NH2 ARG A 9 -1.934 -2.130 7.478 1.00 0.00 N ATOM 0 H ARG A 9 1.426 -6.884 6.165 1.00 0.00 H new ATOM 0 HA ARG A 9 0.967 -4.696 4.394 1.00 0.00 H new ATOM 0 HB2 ARG A 9 0.397 -5.273 7.338 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -0.022 -3.741 6.598 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -1.467 -4.840 4.951 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -0.898 -6.428 5.427 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -2.998 -6.210 6.536 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -1.820 -5.891 7.793 1.00 0.00 H new ATOM 0 HE ARG A 9 -3.680 -3.940 6.588 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -2.335 -4.553 9.500 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -1.647 -2.952 9.796 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -2.092 -1.881 6.501 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -1.511 -1.454 8.115 1.00 0.00 H new ATOM 162 N VAL A 10 3.374 -4.443 6.615 1.00 0.00 N ATOM 163 CA VAL A 10 4.493 -3.573 7.034 1.00 0.00 C ATOM 164 C VAL A 10 5.321 -3.247 5.826 1.00 0.00 C ATOM 165 O VAL A 10 5.696 -2.103 5.562 1.00 0.00 O ATOM 166 CB VAL A 10 5.459 -4.255 8.027 1.00 0.00 C ATOM 167 CG1 VAL A 10 6.514 -3.232 8.490 1.00 0.00 C ATOM 168 CG2 VAL A 10 4.728 -4.819 9.246 1.00 0.00 C ATOM 0 H VAL A 10 3.383 -5.375 7.029 1.00 0.00 H new ATOM 0 HA VAL A 10 4.043 -2.702 7.511 1.00 0.00 H new ATOM 0 HB VAL A 10 5.934 -5.090 7.512 1.00 0.00 H new ATOM 0 HG11 VAL A 10 7.199 -3.708 9.192 1.00 0.00 H new ATOM 0 HG12 VAL A 10 7.072 -2.869 7.627 1.00 0.00 H new ATOM 0 HG13 VAL A 10 6.018 -2.394 8.979 1.00 0.00 H new ATOM 0 HG21 VAL A 10 5.448 -5.289 9.916 1.00 0.00 H new ATOM 0 HG22 VAL A 10 4.218 -4.011 9.770 1.00 0.00 H new ATOM 0 HG23 VAL A 10 3.997 -5.560 8.921 1.00 0.00 H new ATOM 178 N ILE A 11 5.617 -4.305 5.122 1.00 0.00 N ATOM 179 CA ILE A 11 6.410 -4.237 3.940 1.00 0.00 C ATOM 180 C ILE A 11 5.711 -3.369 2.912 1.00 0.00 C ATOM 181 O ILE A 11 6.306 -2.474 2.326 1.00 0.00 O ATOM 182 CB ILE A 11 6.572 -5.666 3.426 1.00 0.00 C ATOM 183 CG1 ILE A 11 7.300 -6.509 4.492 1.00 0.00 C ATOM 184 CG2 ILE A 11 7.358 -5.674 2.116 1.00 0.00 C ATOM 185 CD1 ILE A 11 7.205 -7.995 4.132 1.00 0.00 C ATOM 0 H ILE A 11 5.307 -5.247 5.362 1.00 0.00 H new ATOM 0 HA ILE A 11 7.387 -3.797 4.138 1.00 0.00 H new ATOM 0 HB ILE A 11 5.588 -6.095 3.236 1.00 0.00 H new ATOM 0 HG12 ILE A 11 8.345 -6.207 4.556 1.00 0.00 H new ATOM 0 HG13 ILE A 11 6.857 -6.334 5.472 1.00 0.00 H new ATOM 0 HG21 ILE A 11 7.465 -6.699 1.762 1.00 0.00 H new ATOM 0 HG22 ILE A 11 6.825 -5.086 1.369 1.00 0.00 H new ATOM 0 HG23 ILE A 11 8.345 -5.242 2.281 1.00 0.00 H new ATOM 0 HD11 ILE A 11 7.721 -8.586 4.888 1.00 0.00 H new ATOM 0 HD12 ILE A 11 6.157 -8.293 4.091 1.00 0.00 H new ATOM 0 HD13 ILE A 11 7.669 -8.164 3.160 1.00 0.00 H new ATOM 197 N ALA A 12 4.437 -3.666 2.719 1.00 0.00 N ATOM 198 CA ALA A 12 3.604 -2.961 1.760 1.00 0.00 C ATOM 199 C ALA A 12 3.271 -1.535 2.179 1.00 0.00 C ATOM 200 O ALA A 12 3.407 -0.613 1.380 1.00 0.00 O ATOM 201 CB ALA A 12 2.324 -3.738 1.625 1.00 0.00 C ATOM 0 H ALA A 12 3.950 -4.406 3.225 1.00 0.00 H new ATOM 0 HA ALA A 12 4.155 -2.888 0.822 1.00 0.00 H new ATOM 0 HB1 ALA A 12 1.669 -3.239 0.911 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.545 -4.745 1.272 1.00 0.00 H new ATOM 0 HB3 ALA A 12 1.828 -3.794 2.594 1.00 0.00 H new ATOM 207 N ILE A 13 2.842 -1.351 3.427 1.00 0.00 N ATOM 208 CA ILE A 13 2.517 -0.027 3.915 1.00 0.00 C ATOM 209 C ILE A 13 3.770 0.814 3.848 1.00 0.00 C ATOM 210 O ILE A 13 3.733 1.982 3.504 1.00 0.00 O ATOM 211 CB ILE A 13 1.996 -0.087 5.366 1.00 0.00 C ATOM 212 CG1 ILE A 13 1.397 1.281 5.738 1.00 0.00 C ATOM 213 CG2 ILE A 13 3.143 -0.456 6.329 1.00 0.00 C ATOM 214 CD1 ILE A 13 1.751 1.663 7.175 1.00 0.00 C ATOM 0 H ILE A 13 2.715 -2.100 4.108 1.00 0.00 H new ATOM 0 HA ILE A 13 1.729 0.409 3.300 1.00 0.00 H new ATOM 0 HB ILE A 13 1.225 -0.854 5.449 1.00 0.00 H new ATOM 0 HG12 ILE A 13 1.769 2.043 5.053 1.00 0.00 H new ATOM 0 HG13 ILE A 13 0.314 1.251 5.623 1.00 0.00 H new ATOM 0 HG21 ILE A 13 2.763 -0.495 7.350 1.00 0.00 H new ATOM 0 HG22 ILE A 13 3.549 -1.430 6.055 1.00 0.00 H new ATOM 0 HG23 ILE A 13 3.929 0.296 6.263 1.00 0.00 H new ATOM 0 HD11 ILE A 13 1.315 2.634 7.411 1.00 0.00 H new ATOM 0 HD12 ILE A 13 1.356 0.912 7.859 1.00 0.00 H new ATOM 0 HD13 ILE A 13 2.835 1.716 7.281 1.00 0.00 H new ATOM 226 N GLY A 14 4.884 0.172 4.160 1.00 0.00 N ATOM 227 CA GLY A 14 6.163 0.819 4.129 1.00 0.00 C ATOM 228 C GLY A 14 6.492 1.201 2.697 1.00 0.00 C ATOM 229 O GLY A 14 7.037 2.279 2.448 1.00 0.00 O ATOM 0 H GLY A 14 4.916 -0.808 4.439 1.00 0.00 H new ATOM 0 HA2 GLY A 14 6.151 1.707 4.762 1.00 0.00 H new ATOM 0 HA3 GLY A 14 6.930 0.155 4.527 1.00 0.00 H new ATOM 233 N GLU A 15 6.132 0.319 1.744 1.00 0.00 N ATOM 234 CA GLU A 15 6.382 0.608 0.344 1.00 0.00 C ATOM 235 C GLU A 15 5.479 1.743 -0.125 1.00 0.00 C ATOM 236 O GLU A 15 5.907 2.663 -0.823 1.00 0.00 O ATOM 237 CB GLU A 15 6.039 -0.622 -0.506 1.00 0.00 C ATOM 238 CG GLU A 15 7.002 -1.783 -0.224 1.00 0.00 C ATOM 239 CD GLU A 15 7.846 -2.092 -1.464 1.00 0.00 C ATOM 240 OE1 GLU A 15 8.581 -1.215 -1.893 1.00 0.00 O ATOM 241 OE2 GLU A 15 7.743 -3.197 -1.970 1.00 0.00 O ATOM 0 H GLU A 15 5.678 -0.576 1.925 1.00 0.00 H new ATOM 0 HA GLU A 15 7.432 0.880 0.235 1.00 0.00 H new ATOM 0 HB2 GLU A 15 5.016 -0.937 -0.298 1.00 0.00 H new ATOM 0 HB3 GLU A 15 6.083 -0.359 -1.563 1.00 0.00 H new ATOM 0 HG2 GLU A 15 7.653 -1.528 0.612 1.00 0.00 H new ATOM 0 HG3 GLU A 15 6.438 -2.668 0.069 1.00 0.00 H new ATOM 248 N ILE A 16 4.214 1.624 0.248 1.00 0.00 N ATOM 249 CA ILE A 16 3.184 2.578 -0.126 1.00 0.00 C ATOM 250 C ILE A 16 3.321 3.931 0.574 1.00 0.00 C ATOM 251 O ILE A 16 3.106 4.978 -0.036 1.00 0.00 O ATOM 252 CB ILE A 16 1.830 1.894 0.092 1.00 0.00 C ATOM 253 CG1 ILE A 16 1.770 0.797 -0.979 1.00 0.00 C ATOM 254 CG2 ILE A 16 0.641 2.865 -0.043 1.00 0.00 C ATOM 255 CD1 ILE A 16 0.538 -0.083 -0.849 1.00 0.00 C ATOM 0 H ILE A 16 3.871 0.855 0.824 1.00 0.00 H new ATOM 0 HA ILE A 16 3.288 2.846 -1.177 1.00 0.00 H new ATOM 0 HB ILE A 16 1.750 1.499 1.105 1.00 0.00 H new ATOM 0 HG12 ILE A 16 1.779 1.258 -1.967 1.00 0.00 H new ATOM 0 HG13 ILE A 16 2.664 0.177 -0.908 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -0.291 2.324 0.122 1.00 0.00 H new ATOM 0 HG22 ILE A 16 0.735 3.660 0.697 1.00 0.00 H new ATOM 0 HG23 ILE A 16 0.637 3.299 -1.043 1.00 0.00 H new ATOM 0 HD11 ILE A 16 0.548 -0.841 -1.632 1.00 0.00 H new ATOM 0 HD12 ILE A 16 0.539 -0.569 0.127 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -0.358 0.529 -0.948 1.00 0.00 H new ATOM 267 N MET A 17 3.685 3.903 1.843 1.00 0.00 N ATOM 268 CA MET A 17 3.863 5.131 2.609 1.00 0.00 C ATOM 269 C MET A 17 5.063 5.921 2.074 1.00 0.00 C ATOM 270 O MET A 17 5.144 7.138 2.251 1.00 0.00 O ATOM 271 CB MET A 17 4.038 4.798 4.099 1.00 0.00 C ATOM 272 CG MET A 17 2.686 4.360 4.686 1.00 0.00 C ATOM 273 SD MET A 17 1.533 5.751 4.760 1.00 0.00 S ATOM 274 CE MET A 17 0.007 4.771 4.657 1.00 0.00 C ATOM 0 H MET A 17 3.864 3.047 2.368 1.00 0.00 H new ATOM 0 HA MET A 17 2.975 5.754 2.500 1.00 0.00 H new ATOM 0 HB2 MET A 17 4.775 4.004 4.222 1.00 0.00 H new ATOM 0 HB3 MET A 17 4.415 5.668 4.636 1.00 0.00 H new ATOM 0 HG2 MET A 17 2.261 3.563 4.076 1.00 0.00 H new ATOM 0 HG3 MET A 17 2.834 3.952 5.686 1.00 0.00 H new ATOM 0 HE1 MET A 17 -0.854 5.421 4.810 1.00 0.00 H new ATOM 0 HE2 MET A 17 -0.060 4.305 3.674 1.00 0.00 H new ATOM 0 HE3 MET A 17 0.019 3.998 5.425 1.00 0.00 H new ATOM 284 N ARG A 18 5.980 5.213 1.404 1.00 0.00 N ATOM 285 CA ARG A 18 7.168 5.830 0.820 1.00 0.00 C ATOM 286 C ARG A 18 6.789 6.716 -0.364 1.00 0.00 C ATOM 287 O ARG A 18 7.417 7.748 -0.605 1.00 0.00 O ATOM 288 CB ARG A 18 8.129 4.726 0.356 1.00 0.00 C ATOM 289 CG ARG A 18 9.381 5.332 -0.290 1.00 0.00 C ATOM 290 CD ARG A 18 10.265 4.206 -0.825 1.00 0.00 C ATOM 291 NE ARG A 18 11.510 4.750 -1.360 1.00 0.00 N ATOM 292 CZ ARG A 18 11.960 4.398 -2.559 1.00 0.00 C ATOM 293 NH1 ARG A 18 12.640 3.295 -2.701 1.00 0.00 N ATOM 294 NH2 ARG A 18 11.721 5.153 -3.592 1.00 0.00 N ATOM 0 H ARG A 18 5.917 4.206 1.254 1.00 0.00 H new ATOM 0 HA ARG A 18 7.652 6.453 1.572 1.00 0.00 H new ATOM 0 HB2 ARG A 18 8.416 4.106 1.206 1.00 0.00 H new ATOM 0 HB3 ARG A 18 7.625 4.075 -0.358 1.00 0.00 H new ATOM 0 HG2 ARG A 18 9.098 6.004 -1.100 1.00 0.00 H new ATOM 0 HG3 ARG A 18 9.930 5.926 0.440 1.00 0.00 H new ATOM 0 HD2 ARG A 18 10.484 3.496 -0.027 1.00 0.00 H new ATOM 0 HD3 ARG A 18 9.735 3.658 -1.604 1.00 0.00 H new ATOM 0 HE ARG A 18 12.045 5.414 -0.801 1.00 0.00 H new ATOM 0 HH11 ARG A 18 12.826 2.703 -1.892 1.00 0.00 H new ATOM 0 HH12 ARG A 18 12.986 3.024 -3.622 1.00 0.00 H new ATOM 0 HH21 ARG A 18 11.188 6.015 -3.481 1.00 0.00 H new ATOM 0 HH22 ARG A 18 12.067 4.882 -4.513 1.00 0.00 H new ATOM 308 N LEU A 19 5.772 6.271 -1.105 1.00 0.00 N ATOM 309 CA LEU A 19 5.292 6.968 -2.294 1.00 0.00 C ATOM 310 C LEU A 19 5.169 8.485 -2.066 1.00 0.00 C ATOM 311 O LEU A 19 4.270 8.944 -1.358 1.00 0.00 O ATOM 312 CB LEU A 19 3.951 6.356 -2.697 1.00 0.00 C ATOM 313 CG LEU A 19 4.115 4.826 -2.798 1.00 0.00 C ATOM 314 CD1 LEU A 19 2.793 4.151 -3.169 1.00 0.00 C ATOM 315 CD2 LEU A 19 5.186 4.503 -3.843 1.00 0.00 C ATOM 0 H LEU A 19 5.259 5.415 -0.895 1.00 0.00 H new ATOM 0 HA LEU A 19 6.016 6.844 -3.099 1.00 0.00 H new ATOM 0 HB2 LEU A 19 3.186 6.606 -1.962 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.621 6.764 -3.652 1.00 0.00 H new ATOM 0 HG LEU A 19 4.421 4.441 -1.825 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.940 3.073 -3.233 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.046 4.371 -2.406 1.00 0.00 H new ATOM 0 HD13 LEU A 19 2.450 4.528 -4.132 1.00 0.00 H new ATOM 0 HD21 LEU A 19 5.306 3.422 -3.919 1.00 0.00 H new ATOM 0 HD22 LEU A 19 4.883 4.903 -4.811 1.00 0.00 H new ATOM 0 HD23 LEU A 19 6.133 4.953 -3.545 1.00 0.00 H new ATOM 327 N PRO A 20 6.083 9.257 -2.635 1.00 0.00 N ATOM 328 CA PRO A 20 6.114 10.744 -2.475 1.00 0.00 C ATOM 329 C PRO A 20 5.042 11.476 -3.283 1.00 0.00 C ATOM 330 O PRO A 20 4.839 12.677 -3.087 1.00 0.00 O ATOM 331 CB PRO A 20 7.495 11.168 -3.007 1.00 0.00 C ATOM 332 CG PRO A 20 8.192 9.935 -3.492 1.00 0.00 C ATOM 333 CD PRO A 20 7.187 8.789 -3.492 1.00 0.00 C ATOM 0 HA PRO A 20 5.928 10.999 -1.432 1.00 0.00 H new ATOM 0 HB2 PRO A 20 7.388 11.891 -3.816 1.00 0.00 H new ATOM 0 HB3 PRO A 20 8.076 11.652 -2.222 1.00 0.00 H new ATOM 0 HG2 PRO A 20 8.589 10.092 -4.495 1.00 0.00 H new ATOM 0 HG3 PRO A 20 9.039 9.698 -2.847 1.00 0.00 H new ATOM 0 HD2 PRO A 20 6.838 8.568 -4.501 1.00 0.00 H new ATOM 0 HD3 PRO A 20 7.631 7.874 -3.101 1.00 0.00 H new ATOM 341 N ASN A 21 4.396 10.779 -4.219 1.00 0.00 N ATOM 342 CA ASN A 21 3.398 11.433 -5.071 1.00 0.00 C ATOM 343 C ASN A 21 2.006 11.366 -4.473 1.00 0.00 C ATOM 344 O ASN A 21 1.388 12.398 -4.206 1.00 0.00 O ATOM 345 CB ASN A 21 3.420 10.791 -6.468 1.00 0.00 C ATOM 346 CG ASN A 21 4.797 11.007 -7.096 1.00 0.00 C ATOM 347 OD1 ASN A 21 5.309 10.085 -7.846 1.00 0.00 O flip ATOM 348 ND2 ASN A 21 5.420 12.051 -6.897 1.00 0.00 N flip ATOM 0 H ASN A 21 4.539 9.786 -4.405 1.00 0.00 H new ATOM 0 HA ASN A 21 3.657 12.489 -5.149 1.00 0.00 H new ATOM 0 HB2 ASN A 21 3.203 9.725 -6.396 1.00 0.00 H new ATOM 0 HB3 ASN A 21 2.647 11.232 -7.097 1.00 0.00 H new ATOM 0 HD21 ASN A 21 5.019 12.780 -6.306 1.00 0.00 H new ATOM 0 HD22 ASN A 21 6.337 12.187 -7.323 1.00 0.00 H new ATOM 355 N LEU A 22 1.523 10.149 -4.289 1.00 0.00 N ATOM 356 CA LEU A 22 0.188 9.902 -3.751 1.00 0.00 C ATOM 357 C LEU A 22 -0.179 10.802 -2.592 1.00 0.00 C ATOM 358 O LEU A 22 0.674 11.220 -1.804 1.00 0.00 O ATOM 359 CB LEU A 22 0.113 8.469 -3.258 1.00 0.00 C ATOM 360 CG LEU A 22 0.241 7.530 -4.442 1.00 0.00 C ATOM 361 CD1 LEU A 22 0.775 6.196 -3.959 1.00 0.00 C ATOM 362 CD2 LEU A 22 -1.127 7.340 -5.084 1.00 0.00 C ATOM 0 H LEU A 22 2.044 9.300 -4.508 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.511 10.105 -4.563 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.908 8.277 -2.538 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.832 8.298 -2.742 1.00 0.00 H new ATOM 0 HG LEU A 22 0.926 7.949 -5.179 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.870 5.515 -4.804 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.752 6.341 -3.498 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.087 5.772 -3.227 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.039 6.665 -5.936 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.816 6.915 -4.354 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.507 8.304 -5.422 1.00 0.00 H new ATOM 374 N ASN A 23 -1.480 11.021 -2.463 1.00 0.00 N ATOM 375 CA ASN A 23 -2.012 11.794 -1.362 1.00 0.00 C ATOM 376 C ASN A 23 -2.233 10.820 -0.228 1.00 0.00 C ATOM 377 O ASN A 23 -2.324 9.612 -0.465 1.00 0.00 O ATOM 378 CB ASN A 23 -3.325 12.478 -1.766 1.00 0.00 C ATOM 379 CG ASN A 23 -4.196 11.518 -2.572 1.00 0.00 C ATOM 380 OD1 ASN A 23 -4.835 10.639 -2.004 1.00 0.00 O ATOM 381 ND2 ASN A 23 -4.248 11.628 -3.870 1.00 0.00 N ATOM 0 H ASN A 23 -2.184 10.671 -3.112 1.00 0.00 H new ATOM 0 HA ASN A 23 -1.326 12.587 -1.066 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -3.861 12.806 -0.875 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -3.112 13.369 -2.356 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -4.821 10.983 -4.414 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -3.716 12.360 -4.342 1.00 0.00 H new ATOM 388 N SER A 24 -2.291 11.316 0.992 1.00 0.00 N ATOM 389 CA SER A 24 -2.463 10.431 2.130 1.00 0.00 C ATOM 390 C SER A 24 -3.632 9.485 1.928 1.00 0.00 C ATOM 391 O SER A 24 -3.571 8.350 2.347 1.00 0.00 O ATOM 392 CB SER A 24 -2.682 11.216 3.406 1.00 0.00 C ATOM 393 OG SER A 24 -3.809 12.071 3.257 1.00 0.00 O ATOM 0 H SER A 24 -2.223 12.308 1.220 1.00 0.00 H new ATOM 0 HA SER A 24 -1.545 9.850 2.215 1.00 0.00 H new ATOM 0 HB2 SER A 24 -2.839 10.534 4.241 1.00 0.00 H new ATOM 0 HB3 SER A 24 -1.795 11.805 3.638 1.00 0.00 H new ATOM 0 HG SER A 24 -3.948 12.576 4.085 1.00 0.00 H new ATOM 399 N LEU A 25 -4.688 9.951 1.285 1.00 0.00 N ATOM 400 CA LEU A 25 -5.852 9.111 1.064 1.00 0.00 C ATOM 401 C LEU A 25 -5.497 7.933 0.209 1.00 0.00 C ATOM 402 O LEU A 25 -5.830 6.819 0.557 1.00 0.00 O ATOM 403 CB LEU A 25 -6.944 9.892 0.364 1.00 0.00 C ATOM 404 CG LEU A 25 -7.264 11.188 1.116 1.00 0.00 C ATOM 405 CD1 LEU A 25 -6.274 12.304 0.741 1.00 0.00 C ATOM 406 CD2 LEU A 25 -8.661 11.625 0.711 1.00 0.00 C ATOM 0 H LEU A 25 -4.764 10.897 0.910 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.203 8.770 2.038 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -6.633 10.126 -0.654 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -7.843 9.280 0.290 1.00 0.00 H new ATOM 0 HG LEU A 25 -7.192 11.009 2.189 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -6.525 13.212 1.289 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -5.261 11.993 0.997 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -6.334 12.499 -0.330 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -8.919 12.548 1.231 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -8.692 11.794 -0.365 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -9.377 10.847 0.976 1.00 0.00 H new ATOM 418 N GLN A 26 -4.806 8.183 -0.896 1.00 0.00 N ATOM 419 CA GLN A 26 -4.392 7.107 -1.770 1.00 0.00 C ATOM 420 C GLN A 26 -3.421 6.224 -1.042 1.00 0.00 C ATOM 421 O GLN A 26 -3.520 5.005 -1.070 1.00 0.00 O ATOM 422 CB GLN A 26 -3.708 7.654 -2.998 1.00 0.00 C ATOM 423 CG GLN A 26 -4.748 8.179 -3.982 1.00 0.00 C ATOM 424 CD GLN A 26 -5.411 7.024 -4.744 1.00 0.00 C ATOM 425 OE1 GLN A 26 -5.341 5.866 -4.328 1.00 0.00 O ATOM 426 NE2 GLN A 26 -6.044 7.275 -5.854 1.00 0.00 N ATOM 0 H GLN A 26 -4.525 9.115 -1.201 1.00 0.00 H new ATOM 0 HA GLN A 26 -5.276 6.544 -2.069 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -3.024 8.455 -2.717 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -3.110 6.874 -3.469 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -5.507 8.750 -3.446 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -4.275 8.862 -4.688 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -6.104 8.232 -6.202 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -6.480 6.515 -6.376 1.00 0.00 H new ATOM 435 N VAL A 27 -2.505 6.879 -0.355 1.00 0.00 N ATOM 436 CA VAL A 27 -1.504 6.201 0.428 1.00 0.00 C ATOM 437 C VAL A 27 -2.213 5.311 1.436 1.00 0.00 C ATOM 438 O VAL A 27 -1.865 4.148 1.629 1.00 0.00 O ATOM 439 CB VAL A 27 -0.668 7.286 1.134 1.00 0.00 C ATOM 440 CG1 VAL A 27 0.123 6.725 2.307 1.00 0.00 C ATOM 441 CG2 VAL A 27 0.309 7.922 0.137 1.00 0.00 C ATOM 0 H VAL A 27 -2.438 7.896 -0.327 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.850 5.578 -0.182 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.364 8.032 1.517 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.697 7.525 2.774 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.564 6.297 3.037 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.803 5.951 1.951 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.897 8.688 0.642 1.00 0.00 H new ATOM 0 HG22 VAL A 27 0.975 7.156 -0.259 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.250 8.375 -0.682 1.00 0.00 H new ATOM 451 N VAL A 28 -3.236 5.889 2.040 1.00 0.00 N ATOM 452 CA VAL A 28 -4.066 5.192 3.009 1.00 0.00 C ATOM 453 C VAL A 28 -4.964 4.177 2.335 1.00 0.00 C ATOM 454 O VAL A 28 -5.259 3.117 2.884 1.00 0.00 O ATOM 455 CB VAL A 28 -4.845 6.170 3.865 1.00 0.00 C ATOM 456 CG1 VAL A 28 -5.659 5.383 4.896 1.00 0.00 C ATOM 457 CG2 VAL A 28 -3.823 7.048 4.591 1.00 0.00 C ATOM 0 H VAL A 28 -3.516 6.856 1.873 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.409 4.636 3.678 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.519 6.777 3.261 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -6.225 6.076 5.519 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -6.348 4.713 4.381 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -4.985 4.799 5.523 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.345 7.769 5.221 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -3.181 6.422 5.211 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -3.214 7.579 3.859 1.00 0.00 H new ATOM 467 N ALA A 29 -5.399 4.535 1.140 1.00 0.00 N ATOM 468 CA ALA A 29 -6.270 3.703 0.347 1.00 0.00 C ATOM 469 C ALA A 29 -5.631 2.363 0.206 1.00 0.00 C ATOM 470 O ALA A 29 -6.285 1.322 0.255 1.00 0.00 O ATOM 471 CB ALA A 29 -6.395 4.309 -1.036 1.00 0.00 C ATOM 0 H ALA A 29 -5.153 5.419 0.694 1.00 0.00 H new ATOM 0 HA ALA A 29 -7.249 3.622 0.819 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -7.052 3.689 -1.647 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -6.813 5.313 -0.957 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -5.410 4.362 -1.500 1.00 0.00 H new ATOM 477 N PHE A 30 -4.322 2.412 0.059 1.00 0.00 N ATOM 478 CA PHE A 30 -3.565 1.236 -0.051 1.00 0.00 C ATOM 479 C PHE A 30 -3.506 0.550 1.263 1.00 0.00 C ATOM 480 O PHE A 30 -3.639 -0.662 1.296 1.00 0.00 O ATOM 481 CB PHE A 30 -2.186 1.568 -0.517 1.00 0.00 C ATOM 482 CG PHE A 30 -2.261 1.815 -1.982 1.00 0.00 C ATOM 483 CD1 PHE A 30 -2.583 0.764 -2.833 1.00 0.00 C ATOM 484 CD2 PHE A 30 -2.075 3.095 -2.482 1.00 0.00 C ATOM 485 CE1 PHE A 30 -2.698 0.990 -4.191 1.00 0.00 C ATOM 486 CE2 PHE A 30 -2.203 3.330 -3.834 1.00 0.00 C ATOM 487 CZ PHE A 30 -2.509 2.274 -4.703 1.00 0.00 C ATOM 0 H PHE A 30 -3.780 3.275 0.016 1.00 0.00 H new ATOM 0 HA PHE A 30 -4.036 0.571 -0.775 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -1.807 2.448 0.002 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -1.500 0.749 -0.300 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -2.743 -0.227 -2.434 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -1.830 3.907 -1.813 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -2.934 0.173 -4.856 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -2.067 4.328 -4.224 1.00 0.00 H new ATOM 0 HZ PHE A 30 -2.598 2.453 -5.764 1.00 0.00 H new ATOM 497 N ILE A 31 -3.355 1.322 2.360 1.00 0.00 N ATOM 498 CA ILE A 31 -3.317 0.678 3.669 1.00 0.00 C ATOM 499 C ILE A 31 -4.580 -0.147 3.792 1.00 0.00 C ATOM 500 O ILE A 31 -4.583 -1.262 4.324 1.00 0.00 O ATOM 501 CB ILE A 31 -3.363 1.669 4.842 1.00 0.00 C ATOM 502 CG1 ILE A 31 -2.209 2.660 4.800 1.00 0.00 C ATOM 503 CG2 ILE A 31 -3.289 0.888 6.167 1.00 0.00 C ATOM 504 CD1 ILE A 31 -2.434 3.705 5.904 1.00 0.00 C ATOM 0 H ILE A 31 -3.263 2.338 2.361 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.387 0.113 3.724 1.00 0.00 H new ATOM 0 HB ILE A 31 -4.296 2.228 4.765 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -1.260 2.145 4.951 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -2.158 3.143 3.824 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -3.321 1.586 7.003 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -4.134 0.203 6.233 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -2.359 0.321 6.204 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -1.618 4.427 5.893 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.378 4.221 5.729 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -2.466 3.209 6.874 1.00 0.00 H new ATOM 516 N ASN A 32 -5.655 0.447 3.284 1.00 0.00 N ATOM 517 CA ASN A 32 -6.958 -0.175 3.313 1.00 0.00 C ATOM 518 C ASN A 32 -7.018 -1.406 2.424 1.00 0.00 C ATOM 519 O ASN A 32 -7.577 -2.423 2.817 1.00 0.00 O ATOM 520 CB ASN A 32 -7.999 0.857 2.868 1.00 0.00 C ATOM 521 CG ASN A 32 -8.434 1.720 4.048 1.00 0.00 C ATOM 522 OD1 ASN A 32 -9.627 1.929 4.258 1.00 0.00 O ATOM 523 ND2 ASN A 32 -7.530 2.245 4.831 1.00 0.00 N ATOM 0 H ASN A 32 -5.640 1.368 2.845 1.00 0.00 H new ATOM 0 HA ASN A 32 -7.166 -0.509 4.329 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -7.582 1.488 2.083 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -8.865 0.349 2.443 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -7.814 2.829 5.618 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -6.540 2.071 4.656 1.00 0.00 H new ATOM 530 N SER A 33 -6.443 -1.318 1.233 1.00 0.00 N ATOM 531 CA SER A 33 -6.458 -2.441 0.323 1.00 0.00 C ATOM 532 C SER A 33 -5.669 -3.621 0.891 1.00 0.00 C ATOM 533 O SER A 33 -6.046 -4.775 0.693 1.00 0.00 O ATOM 534 CB SER A 33 -5.885 -2.017 -1.017 1.00 0.00 C ATOM 535 OG SER A 33 -6.483 -0.794 -1.426 1.00 0.00 O ATOM 0 H SER A 33 -5.966 -0.487 0.882 1.00 0.00 H new ATOM 0 HA SER A 33 -7.490 -2.766 0.188 1.00 0.00 H new ATOM 0 HB2 SER A 33 -4.804 -1.897 -0.940 1.00 0.00 H new ATOM 0 HB3 SER A 33 -6.068 -2.790 -1.763 1.00 0.00 H new ATOM 0 HG SER A 33 -6.210 -0.077 -0.817 1.00 0.00 H new ATOM 541 N LEU A 34 -4.564 -3.323 1.587 1.00 0.00 N ATOM 542 CA LEU A 34 -3.723 -4.397 2.169 1.00 0.00 C ATOM 543 C LEU A 34 -4.549 -5.280 3.100 1.00 0.00 C ATOM 544 O LEU A 34 -4.461 -6.501 3.051 1.00 0.00 O ATOM 545 CB LEU A 34 -2.534 -3.878 3.009 1.00 0.00 C ATOM 546 CG LEU A 34 -1.910 -2.599 2.451 1.00 0.00 C ATOM 547 CD1 LEU A 34 -0.590 -2.308 3.165 1.00 0.00 C ATOM 548 CD2 LEU A 34 -1.631 -2.726 0.956 1.00 0.00 C ATOM 0 H LEU A 34 -4.231 -2.375 1.762 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.339 -4.942 1.307 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -2.872 -3.694 4.029 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.770 -4.653 3.062 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.619 -1.788 2.615 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.152 -1.395 2.762 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.774 -2.182 4.232 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.098 -3.139 3.011 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.188 -1.801 0.589 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.941 -3.552 0.783 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.565 -2.916 0.426 1.00 0.00 H new ATOM 560 N ARG A 35 -5.341 -4.649 3.962 1.00 0.00 N ATOM 561 CA ARG A 35 -6.173 -5.391 4.908 1.00 0.00 C ATOM 562 C ARG A 35 -7.316 -6.069 4.168 1.00 0.00 C ATOM 563 O ARG A 35 -7.723 -7.181 4.510 1.00 0.00 O ATOM 564 CB ARG A 35 -6.674 -4.449 6.016 1.00 0.00 C ATOM 565 CG ARG A 35 -8.043 -3.845 5.677 1.00 0.00 C ATOM 566 CD ARG A 35 -8.319 -2.647 6.588 1.00 0.00 C ATOM 567 NE ARG A 35 -9.679 -2.160 6.373 1.00 0.00 N ATOM 568 CZ ARG A 35 -9.924 -1.110 5.599 1.00 0.00 C ATOM 569 NH1 ARG A 35 -9.893 -1.235 4.304 1.00 0.00 N ATOM 570 NH2 ARG A 35 -10.196 0.042 6.137 1.00 0.00 N ATOM 0 H ARG A 35 -5.425 -3.635 4.026 1.00 0.00 H new ATOM 0 HA ARG A 35 -5.584 -6.173 5.387 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -6.742 -4.997 6.956 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -5.951 -3.648 6.166 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -8.065 -3.533 4.633 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -8.823 -4.596 5.801 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -8.187 -2.935 7.631 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -7.602 -1.851 6.384 1.00 0.00 H new ATOM 0 HE ARG A 35 -10.457 -2.637 6.828 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -9.680 -2.140 3.884 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -10.081 -0.428 3.709 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -10.221 0.138 7.152 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -10.385 0.850 5.544 1.00 0.00 H new ATOM 584 N ASP A 36 -7.796 -5.397 3.124 1.00 0.00 N ATOM 585 CA ASP A 36 -8.858 -5.929 2.292 1.00 0.00 C ATOM 586 C ASP A 36 -8.313 -7.121 1.514 1.00 0.00 C ATOM 587 O ASP A 36 -9.068 -7.978 1.053 1.00 0.00 O ATOM 588 CB ASP A 36 -9.353 -4.835 1.328 1.00 0.00 C ATOM 589 CG ASP A 36 -10.005 -3.670 2.092 1.00 0.00 C ATOM 590 OD1 ASP A 36 -10.407 -3.859 3.232 1.00 0.00 O ATOM 591 OD2 ASP A 36 -10.085 -2.594 1.522 1.00 0.00 O ATOM 0 H ASP A 36 -7.460 -4.478 2.838 1.00 0.00 H new ATOM 0 HA ASP A 36 -9.698 -6.252 2.907 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -8.516 -4.462 0.737 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -10.072 -5.262 0.629 1.00 0.00 H new ATOM 596 N ASP A 37 -6.980 -7.152 1.389 1.00 0.00 N ATOM 597 CA ASP A 37 -6.292 -8.225 0.676 1.00 0.00 C ATOM 598 C ASP A 37 -4.771 -8.112 0.869 1.00 0.00 C ATOM 599 O ASP A 37 -4.099 -7.384 0.132 1.00 0.00 O ATOM 600 CB ASP A 37 -6.625 -8.153 -0.819 1.00 0.00 C ATOM 601 CG ASP A 37 -6.325 -9.494 -1.500 1.00 0.00 C ATOM 602 OD1 ASP A 37 -5.329 -10.117 -1.153 1.00 0.00 O ATOM 603 OD2 ASP A 37 -7.094 -9.879 -2.365 1.00 0.00 O ATOM 0 H ASP A 37 -6.359 -6.441 1.775 1.00 0.00 H new ATOM 0 HA ASP A 37 -6.628 -9.180 1.079 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -7.676 -7.898 -0.952 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -6.043 -7.361 -1.290 1.00 0.00 H new ATOM 608 N PRO A 38 -4.216 -8.813 1.836 1.00 0.00 N ATOM 609 CA PRO A 38 -2.751 -8.778 2.107 1.00 0.00 C ATOM 610 C PRO A 38 -1.968 -9.512 1.029 1.00 0.00 C ATOM 611 O PRO A 38 -0.872 -9.102 0.659 1.00 0.00 O ATOM 612 CB PRO A 38 -2.578 -9.460 3.470 1.00 0.00 C ATOM 613 CG PRO A 38 -3.943 -9.851 3.936 1.00 0.00 C ATOM 614 CD PRO A 38 -4.911 -9.708 2.764 1.00 0.00 C ATOM 0 HA PRO A 38 -2.369 -7.757 2.109 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -1.934 -10.335 3.385 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -2.105 -8.784 4.183 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -3.939 -10.878 4.302 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -4.256 -9.218 4.766 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -5.125 -10.672 2.303 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -5.865 -9.289 3.083 1.00 0.00 H new ATOM 622 N SER A 39 -2.560 -10.584 0.505 1.00 0.00 N ATOM 623 CA SER A 39 -1.927 -11.360 -0.552 1.00 0.00 C ATOM 624 C SER A 39 -1.680 -10.453 -1.740 1.00 0.00 C ATOM 625 O SER A 39 -0.722 -10.637 -2.495 1.00 0.00 O ATOM 626 CB SER A 39 -2.825 -12.529 -0.963 1.00 0.00 C ATOM 627 OG SER A 39 -3.164 -13.294 0.188 1.00 0.00 O ATOM 0 H SER A 39 -3.474 -10.932 0.796 1.00 0.00 H new ATOM 0 HA SER A 39 -0.981 -11.765 -0.192 1.00 0.00 H new ATOM 0 HB2 SER A 39 -3.729 -12.155 -1.444 1.00 0.00 H new ATOM 0 HB3 SER A 39 -2.312 -13.157 -1.692 1.00 0.00 H new ATOM 0 HG SER A 39 -3.741 -14.042 -0.074 1.00 0.00 H new ATOM 633 N GLN A 40 -2.556 -9.459 -1.876 1.00 0.00 N ATOM 634 CA GLN A 40 -2.451 -8.494 -2.948 1.00 0.00 C ATOM 635 C GLN A 40 -1.823 -7.196 -2.454 1.00 0.00 C ATOM 636 O GLN A 40 -1.822 -6.205 -3.177 1.00 0.00 O ATOM 637 CB GLN A 40 -3.834 -8.222 -3.552 1.00 0.00 C ATOM 638 CG GLN A 40 -4.399 -9.517 -4.151 1.00 0.00 C ATOM 639 CD GLN A 40 -3.541 -9.983 -5.325 1.00 0.00 C ATOM 640 OE1 GLN A 40 -3.433 -9.287 -6.333 1.00 0.00 O ATOM 641 NE2 GLN A 40 -2.913 -11.123 -5.249 1.00 0.00 N ATOM 0 H GLN A 40 -3.347 -9.308 -1.250 1.00 0.00 H new ATOM 0 HA GLN A 40 -1.804 -8.910 -3.720 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -4.508 -7.840 -2.785 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -3.761 -7.455 -4.323 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -4.433 -10.294 -3.387 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -5.424 -9.353 -4.484 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -3.003 -11.700 -4.413 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -2.332 -11.438 -6.026 1.00 0.00 H new ATOM 650 N SER A 41 -1.258 -7.206 -1.235 1.00 0.00 N ATOM 651 CA SER A 41 -0.609 -6.006 -0.702 1.00 0.00 C ATOM 652 C SER A 41 0.429 -5.569 -1.713 1.00 0.00 C ATOM 653 O SER A 41 0.553 -4.398 -2.019 1.00 0.00 O ATOM 654 CB SER A 41 0.065 -6.293 0.659 1.00 0.00 C ATOM 655 OG SER A 41 1.234 -7.076 0.450 1.00 0.00 O ATOM 0 H SER A 41 -1.239 -8.015 -0.615 1.00 0.00 H new ATOM 0 HA SER A 41 -1.350 -5.224 -0.537 1.00 0.00 H new ATOM 0 HB2 SER A 41 0.324 -5.357 1.154 1.00 0.00 H new ATOM 0 HB3 SER A 41 -0.627 -6.820 1.316 1.00 0.00 H new ATOM 0 HG SER A 41 1.922 -6.815 1.097 1.00 0.00 H new ATOM 661 N ALA A 42 1.131 -6.560 -2.253 1.00 0.00 N ATOM 662 CA ALA A 42 2.141 -6.346 -3.264 1.00 0.00 C ATOM 663 C ALA A 42 1.547 -5.753 -4.539 1.00 0.00 C ATOM 664 O ALA A 42 2.167 -4.909 -5.169 1.00 0.00 O ATOM 665 CB ALA A 42 2.798 -7.679 -3.602 1.00 0.00 C ATOM 0 H ALA A 42 1.008 -7.539 -1.994 1.00 0.00 H new ATOM 0 HA ALA A 42 2.871 -5.641 -2.867 1.00 0.00 H new ATOM 0 HB1 ALA A 42 3.562 -7.525 -4.365 1.00 0.00 H new ATOM 0 HB2 ALA A 42 3.259 -8.095 -2.706 1.00 0.00 H new ATOM 0 HB3 ALA A 42 2.044 -8.371 -3.978 1.00 0.00 H new ATOM 671 N ASN A 43 0.341 -6.200 -4.900 1.00 0.00 N ATOM 672 CA ASN A 43 -0.347 -5.712 -6.092 1.00 0.00 C ATOM 673 C ASN A 43 -0.804 -4.296 -5.862 1.00 0.00 C ATOM 674 O ASN A 43 -0.842 -3.463 -6.760 1.00 0.00 O ATOM 675 CB ASN A 43 -1.577 -6.569 -6.324 1.00 0.00 C ATOM 676 CG ASN A 43 -2.105 -6.416 -7.751 1.00 0.00 C ATOM 677 OD1 ASN A 43 -1.692 -5.520 -8.489 1.00 0.00 O ATOM 678 ND2 ASN A 43 -3.003 -7.252 -8.184 1.00 0.00 N ATOM 0 H ASN A 43 -0.180 -6.904 -4.377 1.00 0.00 H new ATOM 0 HA ASN A 43 0.327 -5.755 -6.947 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -1.334 -7.615 -6.135 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -2.356 -6.289 -5.615 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -3.365 -7.165 -9.134 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -3.345 -7.994 -7.574 1.00 0.00 H new ATOM 685 N LEU A 44 -1.181 -4.075 -4.630 1.00 0.00 N ATOM 686 CA LEU A 44 -1.672 -2.797 -4.181 1.00 0.00 C ATOM 687 C LEU A 44 -0.548 -1.824 -4.108 1.00 0.00 C ATOM 688 O LEU A 44 -0.622 -0.722 -4.621 1.00 0.00 O ATOM 689 CB LEU A 44 -2.294 -3.016 -2.825 1.00 0.00 C ATOM 690 CG LEU A 44 -3.541 -3.848 -3.047 1.00 0.00 C ATOM 691 CD1 LEU A 44 -4.026 -4.485 -1.746 1.00 0.00 C ATOM 692 CD2 LEU A 44 -4.579 -2.922 -3.639 1.00 0.00 C ATOM 0 H LEU A 44 -1.156 -4.787 -3.900 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.411 -2.388 -4.870 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.600 -3.529 -2.159 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.542 -2.064 -2.355 1.00 0.00 H new ATOM 0 HG LEU A 44 -3.339 -4.678 -3.723 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -4.922 -5.075 -1.941 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.246 -5.132 -1.345 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -4.257 -3.703 -1.022 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -5.501 -3.476 -3.818 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -4.776 -2.105 -2.945 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -4.210 -2.517 -4.581 1.00 0.00 H new ATOM 704 N LEU A 45 0.514 -2.284 -3.514 1.00 0.00 N ATOM 705 CA LEU A 45 1.711 -1.506 -3.410 1.00 0.00 C ATOM 706 C LEU A 45 2.264 -1.342 -4.820 1.00 0.00 C ATOM 707 O LEU A 45 2.795 -0.294 -5.180 1.00 0.00 O ATOM 708 CB LEU A 45 2.646 -2.200 -2.407 1.00 0.00 C ATOM 709 CG LEU A 45 3.875 -2.761 -3.067 1.00 0.00 C ATOM 710 CD1 LEU A 45 4.808 -1.596 -3.389 1.00 0.00 C ATOM 711 CD2 LEU A 45 4.527 -3.747 -2.090 1.00 0.00 C ATOM 0 H LEU A 45 0.574 -3.209 -3.088 1.00 0.00 H new ATOM 0 HA LEU A 45 1.558 -0.500 -3.018 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.943 -1.488 -1.637 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.106 -3.004 -1.906 1.00 0.00 H new ATOM 0 HG LEU A 45 3.641 -3.288 -3.992 1.00 0.00 H new ATOM 0 HD11 LEU A 45 5.710 -1.974 -3.870 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.304 -0.901 -4.060 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.077 -1.080 -2.467 1.00 0.00 H new ATOM 0 HD21 LEU A 45 5.423 -4.170 -2.544 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.797 -3.225 -1.172 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.825 -4.548 -1.858 1.00 0.00 H new ATOM 723 N ALA A 46 2.045 -2.378 -5.627 1.00 0.00 N ATOM 724 CA ALA A 46 2.437 -2.346 -7.034 1.00 0.00 C ATOM 725 C ALA A 46 1.603 -1.290 -7.722 1.00 0.00 C ATOM 726 O ALA A 46 2.107 -0.497 -8.520 1.00 0.00 O ATOM 727 CB ALA A 46 2.150 -3.682 -7.714 1.00 0.00 C ATOM 0 H ALA A 46 1.600 -3.247 -5.332 1.00 0.00 H new ATOM 0 HA ALA A 46 3.505 -2.136 -7.100 1.00 0.00 H new ATOM 0 HB1 ALA A 46 2.451 -3.630 -8.760 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.710 -4.472 -7.214 1.00 0.00 H new ATOM 0 HB3 ALA A 46 1.084 -3.899 -7.654 1.00 0.00 H new ATOM 733 N GLU A 47 0.314 -1.281 -7.371 1.00 0.00 N ATOM 734 CA GLU A 47 -0.606 -0.319 -7.914 1.00 0.00 C ATOM 735 C GLU A 47 -0.225 1.044 -7.420 1.00 0.00 C ATOM 736 O GLU A 47 -0.247 2.006 -8.152 1.00 0.00 O ATOM 737 CB GLU A 47 -2.012 -0.643 -7.422 1.00 0.00 C ATOM 738 CG GLU A 47 -2.834 -1.327 -8.522 1.00 0.00 C ATOM 739 CD GLU A 47 -2.721 -0.581 -9.859 1.00 0.00 C ATOM 740 OE1 GLU A 47 -3.029 0.598 -9.891 1.00 0.00 O ATOM 741 OE2 GLU A 47 -2.318 -1.203 -10.828 1.00 0.00 O ATOM 0 H GLU A 47 -0.102 -1.937 -6.710 1.00 0.00 H new ATOM 0 HA GLU A 47 -0.576 -0.348 -9.003 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.955 -1.292 -6.548 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.511 0.273 -7.106 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -2.491 -2.354 -8.648 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -3.880 -1.375 -8.219 1.00 0.00 H new ATOM 748 N ALA A 48 0.133 1.082 -6.156 1.00 0.00 N ATOM 749 CA ALA A 48 0.538 2.301 -5.499 1.00 0.00 C ATOM 750 C ALA A 48 1.713 2.914 -6.225 1.00 0.00 C ATOM 751 O ALA A 48 1.729 4.108 -6.495 1.00 0.00 O ATOM 752 CB ALA A 48 0.920 1.990 -4.071 1.00 0.00 C ATOM 0 H ALA A 48 0.151 0.260 -5.552 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.288 3.012 -5.510 1.00 0.00 H new ATOM 0 HB1 ALA A 48 1.227 2.907 -3.569 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.064 1.560 -3.551 1.00 0.00 H new ATOM 0 HB3 ALA A 48 1.745 1.278 -4.062 1.00 0.00 H new ATOM 758 N LYS A 49 2.675 2.074 -6.583 1.00 0.00 N ATOM 759 CA LYS A 49 3.826 2.545 -7.336 1.00 0.00 C ATOM 760 C LYS A 49 3.342 3.028 -8.697 1.00 0.00 C ATOM 761 O LYS A 49 3.836 4.019 -9.232 1.00 0.00 O ATOM 762 CB LYS A 49 4.868 1.430 -7.486 1.00 0.00 C ATOM 763 CG LYS A 49 5.550 1.198 -6.132 1.00 0.00 C ATOM 764 CD LYS A 49 6.627 0.114 -6.258 1.00 0.00 C ATOM 765 CE LYS A 49 7.297 -0.100 -4.894 1.00 0.00 C ATOM 766 NZ LYS A 49 7.694 -1.529 -4.746 1.00 0.00 N ATOM 0 H LYS A 49 2.681 1.077 -6.367 1.00 0.00 H new ATOM 0 HA LYS A 49 4.307 3.367 -6.806 1.00 0.00 H new ATOM 0 HB2 LYS A 49 4.390 0.512 -7.829 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.608 1.705 -8.238 1.00 0.00 H new ATOM 0 HG2 LYS A 49 5.999 2.127 -5.779 1.00 0.00 H new ATOM 0 HG3 LYS A 49 4.809 0.900 -5.390 1.00 0.00 H new ATOM 0 HD2 LYS A 49 6.182 -0.818 -6.607 1.00 0.00 H new ATOM 0 HD3 LYS A 49 7.371 0.409 -6.998 1.00 0.00 H new ATOM 0 HE2 LYS A 49 8.173 0.542 -4.804 1.00 0.00 H new ATOM 0 HE3 LYS A 49 6.612 0.182 -4.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 7.777 -1.763 -3.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 6.973 -2.137 -5.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 8.609 -1.685 -5.214 1.00 0.00 H new ATOM 780 N LYS A 50 2.326 2.331 -9.220 1.00 0.00 N ATOM 781 CA LYS A 50 1.720 2.694 -10.491 1.00 0.00 C ATOM 782 C LYS A 50 0.945 3.998 -10.323 1.00 0.00 C ATOM 783 O LYS A 50 0.932 4.844 -11.203 1.00 0.00 O ATOM 784 CB LYS A 50 0.770 1.570 -10.941 1.00 0.00 C ATOM 785 CG LYS A 50 0.619 1.567 -12.472 1.00 0.00 C ATOM 786 CD LYS A 50 1.291 0.316 -13.066 1.00 0.00 C ATOM 787 CE LYS A 50 0.494 -0.949 -12.702 1.00 0.00 C ATOM 788 NZ LYS A 50 -0.899 -0.834 -13.224 1.00 0.00 N ATOM 0 H LYS A 50 1.911 1.512 -8.776 1.00 0.00 H new ATOM 0 HA LYS A 50 2.494 2.831 -11.246 1.00 0.00 H new ATOM 0 HB2 LYS A 50 1.154 0.606 -10.606 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -0.206 1.703 -10.474 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -0.437 1.585 -12.741 1.00 0.00 H new ATOM 0 HG3 LYS A 50 1.070 2.466 -12.892 1.00 0.00 H new ATOM 0 HD2 LYS A 50 1.357 0.412 -14.150 1.00 0.00 H new ATOM 0 HD3 LYS A 50 2.311 0.231 -12.691 1.00 0.00 H new ATOM 0 HE2 LYS A 50 0.979 -1.830 -13.123 1.00 0.00 H new ATOM 0 HE3 LYS A 50 0.477 -1.081 -11.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -1.555 -0.682 -12.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -0.958 -0.030 -13.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -1.156 -1.709 -13.723 1.00 0.00 H new ATOM 802 N LEU A 51 0.309 4.118 -9.158 1.00 0.00 N ATOM 803 CA LEU A 51 -0.494 5.273 -8.782 1.00 0.00 C ATOM 804 C LEU A 51 0.385 6.482 -8.558 1.00 0.00 C ATOM 805 O LEU A 51 0.083 7.591 -8.993 1.00 0.00 O ATOM 806 CB LEU A 51 -1.177 4.960 -7.450 1.00 0.00 C ATOM 807 CG LEU A 51 -2.627 4.500 -7.605 1.00 0.00 C ATOM 808 CD1 LEU A 51 -3.488 5.669 -8.110 1.00 0.00 C ATOM 809 CD2 LEU A 51 -2.705 3.269 -8.537 1.00 0.00 C ATOM 0 H LEU A 51 0.341 3.398 -8.436 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.211 5.480 -9.577 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.611 4.185 -6.933 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.151 5.848 -6.819 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.021 4.191 -6.637 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -4.521 5.339 -8.220 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -3.443 6.490 -7.394 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.111 6.008 -9.075 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.744 2.954 -8.637 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.309 3.530 -9.518 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.118 2.454 -8.114 1.00 0.00 H new ATOM 821 N ASN A 52 1.472 6.229 -7.848 1.00 0.00 N ATOM 822 CA ASN A 52 2.437 7.246 -7.506 1.00 0.00 C ATOM 823 C ASN A 52 2.978 7.850 -8.781 1.00 0.00 C ATOM 824 O ASN A 52 3.027 9.069 -8.949 1.00 0.00 O ATOM 825 CB ASN A 52 3.548 6.566 -6.692 1.00 0.00 C ATOM 826 CG ASN A 52 4.648 7.541 -6.291 1.00 0.00 C ATOM 827 OD1 ASN A 52 4.522 8.250 -5.296 1.00 0.00 O ATOM 828 ND2 ASN A 52 5.738 7.601 -7.003 1.00 0.00 N ATOM 0 H ASN A 52 1.706 5.302 -7.492 1.00 0.00 H new ATOM 0 HA ASN A 52 1.994 8.048 -6.915 1.00 0.00 H new ATOM 0 HB2 ASN A 52 3.117 6.119 -5.796 1.00 0.00 H new ATOM 0 HB3 ASN A 52 3.980 5.755 -7.278 1.00 0.00 H new ATOM 0 HD21 ASN A 52 6.488 8.238 -6.734 1.00 0.00 H new ATOM 0 HD22 ASN A 52 5.841 7.011 -7.829 1.00 0.00 H new ATOM 835 N ASP A 53 3.350 6.962 -9.680 1.00 0.00 N ATOM 836 CA ASP A 53 3.868 7.341 -10.965 1.00 0.00 C ATOM 837 C ASP A 53 2.777 7.916 -11.876 1.00 0.00 C ATOM 838 O ASP A 53 3.030 8.829 -12.663 1.00 0.00 O ATOM 839 CB ASP A 53 4.500 6.111 -11.627 1.00 0.00 C ATOM 840 CG ASP A 53 5.692 5.582 -10.807 1.00 0.00 C ATOM 841 OD1 ASP A 53 6.196 6.307 -9.958 1.00 0.00 O ATOM 842 OD2 ASP A 53 6.080 4.451 -11.042 1.00 0.00 O ATOM 0 H ASP A 53 3.299 5.954 -9.533 1.00 0.00 H new ATOM 0 HA ASP A 53 4.614 8.122 -10.817 1.00 0.00 H new ATOM 0 HB2 ASP A 53 3.751 5.326 -11.730 1.00 0.00 H new ATOM 0 HB3 ASP A 53 4.833 6.368 -12.632 1.00 0.00 H new ATOM 847 N ALA A 54 1.581 7.323 -11.799 1.00 0.00 N ATOM 848 CA ALA A 54 0.459 7.721 -12.662 1.00 0.00 C ATOM 849 C ALA A 54 -0.181 9.046 -12.296 1.00 0.00 C ATOM 850 O ALA A 54 -0.571 9.815 -13.177 1.00 0.00 O ATOM 851 CB ALA A 54 -0.634 6.679 -12.538 1.00 0.00 C ATOM 0 H ALA A 54 1.363 6.567 -11.150 1.00 0.00 H new ATOM 0 HA ALA A 54 0.878 7.814 -13.664 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -1.476 6.958 -13.172 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.249 5.709 -12.852 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -0.965 6.620 -11.501 1.00 0.00 H new ATOM 857 N GLN A 55 -0.331 9.288 -11.005 1.00 0.00 N ATOM 858 CA GLN A 55 -0.978 10.501 -10.550 1.00 0.00 C ATOM 859 C GLN A 55 -0.028 11.655 -10.545 1.00 0.00 C ATOM 860 O GLN A 55 -0.352 12.747 -11.017 1.00 0.00 O ATOM 861 CB GLN A 55 -1.473 10.328 -9.125 1.00 0.00 C ATOM 862 CG GLN A 55 -2.669 9.381 -9.059 1.00 0.00 C ATOM 863 CD GLN A 55 -3.184 9.337 -7.624 1.00 0.00 C ATOM 864 OE1 GLN A 55 -4.180 8.679 -7.340 1.00 0.00 O ATOM 865 NE2 GLN A 55 -2.567 10.025 -6.696 1.00 0.00 N ATOM 0 H GLN A 55 -0.016 8.665 -10.261 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.803 10.697 -11.235 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -0.666 9.941 -8.503 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -1.753 11.299 -8.716 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -3.456 9.720 -9.732 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -2.378 8.383 -9.386 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -1.739 10.572 -6.932 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -2.914 10.014 -5.737 1.00 0.00 H new ATOM 874 N ALA A 56 1.128 11.406 -9.942 1.00 0.00 N ATOM 875 CA ALA A 56 2.135 12.448 -9.781 1.00 0.00 C ATOM 876 C ALA A 56 1.427 13.737 -9.313 1.00 0.00 C ATOM 877 O ALA A 56 1.439 14.752 -10.016 1.00 0.00 O ATOM 878 CB ALA A 56 2.868 12.666 -11.109 1.00 0.00 C ATOM 0 H ALA A 56 1.391 10.498 -9.559 1.00 0.00 H new ATOM 0 HA ALA A 56 2.876 12.158 -9.037 1.00 0.00 H new ATOM 0 HB1 ALA A 56 3.620 13.445 -10.986 1.00 0.00 H new ATOM 0 HB2 ALA A 56 3.353 11.739 -11.413 1.00 0.00 H new ATOM 0 HB3 ALA A 56 2.153 12.969 -11.874 1.00 0.00 H new ATOM 884 N PRO A 57 0.762 13.697 -8.160 1.00 0.00 N ATOM 885 CA PRO A 57 -0.012 14.849 -7.628 1.00 0.00 C ATOM 886 C PRO A 57 0.896 15.968 -7.114 1.00 0.00 C ATOM 887 O PRO A 57 1.292 15.981 -5.945 1.00 0.00 O ATOM 888 CB PRO A 57 -0.897 14.258 -6.512 1.00 0.00 C ATOM 889 CG PRO A 57 -0.618 12.792 -6.484 1.00 0.00 C ATOM 890 CD PRO A 57 0.697 12.574 -7.225 1.00 0.00 C ATOM 0 HA PRO A 57 -0.611 15.322 -8.406 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -0.666 14.716 -5.550 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -1.952 14.449 -6.711 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -0.546 12.433 -5.457 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -1.426 12.237 -6.960 1.00 0.00 H new ATOM 0 HD2 PRO A 57 1.546 12.573 -6.541 1.00 0.00 H new ATOM 0 HD3 PRO A 57 0.708 11.617 -7.748 1.00 0.00 H new ATOM 898 N LYS A 58 1.227 16.896 -8.009 1.00 0.00 N ATOM 899 CA LYS A 58 2.093 18.022 -7.671 1.00 0.00 C ATOM 900 C LYS A 58 1.451 18.902 -6.594 1.00 0.00 C ATOM 901 O LYS A 58 0.268 19.181 -6.708 1.00 0.00 O ATOM 902 CB LYS A 58 2.353 18.855 -8.930 1.00 0.00 C ATOM 903 CG LYS A 58 3.125 18.013 -9.959 1.00 0.00 C ATOM 904 CD LYS A 58 3.197 18.759 -11.300 1.00 0.00 C ATOM 905 CE LYS A 58 3.948 20.081 -11.124 1.00 0.00 C ATOM 906 NZ LYS A 58 4.328 20.621 -12.461 1.00 0.00 N ATOM 907 OXT LYS A 58 2.153 19.282 -5.671 1.00 0.00 O ATOM 0 H LYS A 58 0.907 16.890 -8.977 1.00 0.00 H new ATOM 0 HA LYS A 58 3.034 17.634 -7.280 1.00 0.00 H new ATOM 0 HB2 LYS A 58 1.408 19.191 -9.357 1.00 0.00 H new ATOM 0 HB3 LYS A 58 2.924 19.748 -8.675 1.00 0.00 H new ATOM 0 HG2 LYS A 58 4.131 17.809 -9.593 1.00 0.00 H new ATOM 0 HG3 LYS A 58 2.634 17.050 -10.095 1.00 0.00 H new ATOM 0 HD2 LYS A 58 3.701 18.141 -12.043 1.00 0.00 H new ATOM 0 HD3 LYS A 58 2.191 18.950 -11.674 1.00 0.00 H new ATOM 0 HE2 LYS A 58 3.322 20.799 -10.595 1.00 0.00 H new ATOM 0 HE3 LYS A 58 4.839 19.927 -10.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 4.838 21.519 -12.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 4.941 19.938 -12.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 3.470 20.783 -13.026 1.00 0.00 H new TER 921 LYS A 58