USER MOD reduce.3.24.130724 H: found=0, std=0, add=764, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 762 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 24 HIS : no HD1:sc= -0.0546 X(o=-0.21,f=-0.63) USER MOD Set 1.2: B 46 MET CE :methyl 158:sc= -0.16 (180deg=-2.1) USER MOD Set 2.1: A 46 MET CE :methyl 166:sc= -2.8 (180deg=-3.5!) USER MOD Set 2.2: B 24 HIS : no HD1:sc= -0.551 X(o=-3.3,f=-3.7) USER MOD Set 3.1: A 7 LYS NZ :NH3+ -161:sc= 2.05 (180deg=-0.228) USER MOD Set 3.2: A 43 ASN : amide:sc= 0.884 K(o=2.9,f=-7.6!) USER MOD Set 4.1: A 8 ASN : amide:sc= 1.01 K(o=2.3,f=-6.7!) USER MOD Set 4.2: A 9 LYS NZ :NH3+ -163:sc= 1.28 (180deg=-0.226) USER MOD Single : A 5 GLN : amide:sc= -0.0102 X(o=-0.01,f=-0.01) USER MOD Single : A 12 ASN : amide:sc= -0.035 X(o=-0.035,f=0) USER MOD Single : A 13 LYS NZ :NH3+ -162:sc= 1.27 (180deg=1.16) USER MOD Single : A 14 LYS NZ :NH3+ -172:sc= 1.36 (180deg=1.14) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= -0.449 X(o=-0.45,f=0) USER MOD Single : A 28 HIS : no HD1:sc= -0.058 X(o=-0.058,f=0) USER MOD Single : A 30 LYS NZ :NH3+ -168:sc= 1.27 (180deg=1.02) USER MOD Single : A 35 SER OG : rot -79:sc= 1.22 USER MOD Single : A 40 LYS NZ :NH3+ 172:sc=-0.000833 (180deg=-0.0621) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 7 LYS NZ :NH3+ -149:sc= 0.982 (180deg=-0.883!) USER MOD Single : B 8 ASN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : B 9 LYS NZ :NH3+ 166:sc= -0.0393 (180deg=-0.267) USER MOD Single : B 12 ASN : amide:sc= 0 X(o=0,f=-0.022) USER MOD Single : B 13 LYS NZ :NH3+ 180:sc= 2.01 (180deg=2.01) USER MOD Single : B 14 LYS NZ :NH3+ 166:sc= 1.56 (180deg=0.893) USER MOD Single : B 15 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0616) USER MOD Single : B 19 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : B 28 HIS : no HD1:sc=-0.00414 X(o=-0.0041,f=0) USER MOD Single : B 30 LYS NZ :NH3+ -167:sc= 1.14 (180deg=0.695) USER MOD Single : B 35 SER OG : rot -93:sc= 1.22 USER MOD Single : B 40 LYS NZ :NH3+ 170:sc=-0.00853 (180deg=-0.128) USER MOD Single : B 43 ASN : amide:sc= 0.396 K(o=0.4,f=-0.47) USER MOD Single : B 44 LYS NZ :NH3+ -169:sc=-0.00417 (180deg=-0.169) USER MOD ----------------------------------------------------------------- ATOM 59 N GLN A 5 16.301 -13.317 3.388 1.00 0.00 N ATOM 60 CA GLN A 5 17.028 -12.066 3.130 1.00 0.00 C ATOM 61 C GLN A 5 16.264 -11.201 2.119 1.00 0.00 C ATOM 62 O GLN A 5 16.495 -9.988 2.019 1.00 0.00 O ATOM 63 CB GLN A 5 18.450 -12.291 2.606 1.00 0.00 C ATOM 64 CG GLN A 5 19.339 -13.227 3.423 1.00 0.00 C ATOM 65 CD GLN A 5 19.527 -12.795 4.860 1.00 0.00 C ATOM 66 OE1 GLN A 5 20.430 -12.024 5.187 1.00 0.00 O ATOM 67 NE2 GLN A 5 18.727 -13.321 5.726 1.00 0.00 N ATOM 0 HA GLN A 5 17.103 -11.560 4.092 1.00 0.00 H new ATOM 0 HB2 GLN A 5 18.381 -12.685 1.592 1.00 0.00 H new ATOM 0 HB3 GLN A 5 18.946 -11.323 2.539 1.00 0.00 H new ATOM 0 HG2 GLN A 5 18.907 -14.227 3.408 1.00 0.00 H new ATOM 0 HG3 GLN A 5 20.316 -13.295 2.944 1.00 0.00 H new ATOM 0 HE21 GLN A 5 17.990 -13.956 5.420 1.00 0.00 H new ATOM 0 HE22 GLN A 5 18.832 -13.102 6.717 1.00 0.00 H new ATOM 76 N LEU A 6 15.368 -11.837 1.382 1.00 0.00 N ATOM 77 CA LEU A 6 14.513 -11.171 0.417 1.00 0.00 C ATOM 78 C LEU A 6 13.405 -10.415 1.175 1.00 0.00 C ATOM 79 O LEU A 6 13.207 -9.218 0.965 1.00 0.00 O ATOM 80 CB LEU A 6 13.962 -12.231 -0.588 1.00 0.00 C ATOM 81 CG LEU A 6 13.069 -11.779 -1.773 1.00 0.00 C ATOM 82 CD1 LEU A 6 11.657 -11.458 -1.330 1.00 0.00 C ATOM 83 CD2 LEU A 6 13.687 -10.590 -2.498 1.00 0.00 C ATOM 0 H LEU A 6 15.213 -12.844 1.439 1.00 0.00 H new ATOM 0 HA LEU A 6 15.063 -10.434 -0.168 1.00 0.00 H new ATOM 0 HB2 LEU A 6 14.819 -12.756 -1.009 1.00 0.00 H new ATOM 0 HB3 LEU A 6 13.393 -12.960 -0.012 1.00 0.00 H new ATOM 0 HG LEU A 6 13.011 -12.617 -2.467 1.00 0.00 H new ATOM 0 HD11 LEU A 6 11.067 -11.146 -2.192 1.00 0.00 H new ATOM 0 HD12 LEU A 6 11.206 -12.344 -0.883 1.00 0.00 H new ATOM 0 HD13 LEU A 6 11.680 -10.653 -0.596 1.00 0.00 H new ATOM 0 HD21 LEU A 6 13.042 -10.292 -3.325 1.00 0.00 H new ATOM 0 HD22 LEU A 6 13.795 -9.757 -1.804 1.00 0.00 H new ATOM 0 HD23 LEU A 6 14.667 -10.869 -2.885 1.00 0.00 H new ATOM 95 N LYS A 7 12.731 -11.115 2.095 1.00 0.00 N ATOM 96 CA LYS A 7 11.692 -10.518 2.956 1.00 0.00 C ATOM 97 C LYS A 7 12.305 -9.399 3.773 1.00 0.00 C ATOM 98 O LYS A 7 11.679 -8.380 4.023 1.00 0.00 O ATOM 99 CB LYS A 7 11.144 -11.568 3.906 1.00 0.00 C ATOM 100 CG LYS A 7 9.680 -11.937 3.753 1.00 0.00 C ATOM 101 CD LYS A 7 8.743 -10.976 4.501 1.00 0.00 C ATOM 102 CE LYS A 7 8.508 -9.695 3.769 1.00 0.00 C ATOM 103 NZ LYS A 7 7.310 -8.962 4.277 1.00 0.00 N ATOM 0 H LYS A 7 12.886 -12.108 2.267 1.00 0.00 H new ATOM 0 HA LYS A 7 10.887 -10.133 2.330 1.00 0.00 H new ATOM 0 HB2 LYS A 7 11.736 -12.475 3.787 1.00 0.00 H new ATOM 0 HB3 LYS A 7 11.300 -11.217 4.926 1.00 0.00 H new ATOM 0 HG2 LYS A 7 9.420 -11.941 2.695 1.00 0.00 H new ATOM 0 HG3 LYS A 7 9.525 -12.950 4.123 1.00 0.00 H new ATOM 0 HD2 LYS A 7 7.787 -11.470 4.671 1.00 0.00 H new ATOM 0 HD3 LYS A 7 9.167 -10.755 5.481 1.00 0.00 H new ATOM 0 HE2 LYS A 7 9.388 -9.058 3.864 1.00 0.00 H new ATOM 0 HE3 LYS A 7 8.379 -9.905 2.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 6.996 -8.274 3.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 6.543 -9.639 4.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 7.555 -8.463 5.156 1.00 0.00 H new ATOM 117 N ASN A 8 13.554 -9.607 4.123 1.00 0.00 N ATOM 118 CA ASN A 8 14.387 -8.671 4.873 1.00 0.00 C ATOM 119 C ASN A 8 14.485 -7.332 4.136 1.00 0.00 C ATOM 120 O ASN A 8 14.375 -6.264 4.746 1.00 0.00 O ATOM 121 CB ASN A 8 15.779 -9.307 4.980 1.00 0.00 C ATOM 122 CG ASN A 8 16.876 -8.409 5.495 1.00 0.00 C ATOM 123 OD1 ASN A 8 17.497 -7.676 4.722 1.00 0.00 O ATOM 124 ND2 ASN A 8 17.201 -8.538 6.735 1.00 0.00 N ATOM 0 H ASN A 8 14.046 -10.468 3.886 1.00 0.00 H new ATOM 0 HA ASN A 8 13.960 -8.478 5.857 1.00 0.00 H new ATOM 0 HB2 ASN A 8 15.711 -10.176 5.634 1.00 0.00 H new ATOM 0 HB3 ASN A 8 16.067 -9.672 3.994 1.00 0.00 H new ATOM 0 HD21 ASN A 8 17.998 -8.023 7.110 1.00 0.00 H new ATOM 0 HD22 ASN A 8 16.661 -9.155 7.342 1.00 0.00 H new ATOM 131 N LYS A 9 14.639 -7.402 2.823 1.00 0.00 N ATOM 132 CA LYS A 9 14.748 -6.207 2.002 1.00 0.00 C ATOM 133 C LYS A 9 13.399 -5.567 1.843 1.00 0.00 C ATOM 134 O LYS A 9 13.294 -4.347 1.784 1.00 0.00 O ATOM 135 CB LYS A 9 15.343 -6.526 0.626 1.00 0.00 C ATOM 136 CG LYS A 9 16.719 -7.155 0.683 1.00 0.00 C ATOM 137 CD LYS A 9 17.715 -6.263 1.403 1.00 0.00 C ATOM 138 CE LYS A 9 19.038 -6.966 1.587 1.00 0.00 C ATOM 139 NZ LYS A 9 18.894 -8.188 2.408 1.00 0.00 N ATOM 0 H LYS A 9 14.691 -8.277 2.302 1.00 0.00 H new ATOM 0 HA LYS A 9 15.420 -5.513 2.506 1.00 0.00 H new ATOM 0 HB2 LYS A 9 14.668 -7.199 0.097 1.00 0.00 H new ATOM 0 HB3 LYS A 9 15.398 -5.607 0.043 1.00 0.00 H new ATOM 0 HG2 LYS A 9 16.658 -8.117 1.191 1.00 0.00 H new ATOM 0 HG3 LYS A 9 17.072 -7.351 -0.330 1.00 0.00 H new ATOM 0 HD2 LYS A 9 17.863 -5.345 0.835 1.00 0.00 H new ATOM 0 HD3 LYS A 9 17.314 -5.975 2.375 1.00 0.00 H new ATOM 0 HE2 LYS A 9 19.451 -7.228 0.613 1.00 0.00 H new ATOM 0 HE3 LYS A 9 19.748 -6.289 2.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 19.828 -8.485 2.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 18.270 -7.991 3.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 18.482 -8.948 1.830 1.00 0.00 H new ATOM 153 N ILE A 10 12.361 -6.390 1.822 1.00 0.00 N ATOM 154 CA ILE A 10 11.021 -5.903 1.662 1.00 0.00 C ATOM 155 C ILE A 10 10.611 -5.119 2.879 1.00 0.00 C ATOM 156 O ILE A 10 10.082 -4.033 2.757 1.00 0.00 O ATOM 157 CB ILE A 10 10.049 -7.067 1.370 1.00 0.00 C ATOM 158 CG1 ILE A 10 10.398 -7.650 0.003 1.00 0.00 C ATOM 159 CG2 ILE A 10 8.582 -6.628 1.436 1.00 0.00 C ATOM 160 CD1 ILE A 10 9.573 -8.821 -0.398 1.00 0.00 C ATOM 0 H ILE A 10 12.434 -7.403 1.915 1.00 0.00 H new ATOM 0 HA ILE A 10 10.983 -5.232 0.804 1.00 0.00 H new ATOM 0 HB ILE A 10 10.164 -7.830 2.139 1.00 0.00 H new ATOM 0 HG12 ILE A 10 10.288 -6.869 -0.750 1.00 0.00 H new ATOM 0 HG13 ILE A 10 11.447 -7.945 0.005 1.00 0.00 H new ATOM 0 HG21 ILE A 10 7.937 -7.481 1.224 1.00 0.00 H new ATOM 0 HG22 ILE A 10 8.361 -6.245 2.432 1.00 0.00 H new ATOM 0 HG23 ILE A 10 8.403 -5.845 0.699 1.00 0.00 H new ATOM 0 HD11 ILE A 10 9.890 -9.170 -1.381 1.00 0.00 H new ATOM 0 HD12 ILE A 10 9.701 -9.622 0.330 1.00 0.00 H new ATOM 0 HD13 ILE A 10 8.523 -8.530 -0.437 1.00 0.00 H new ATOM 172 N GLU A 11 10.917 -5.657 4.043 1.00 0.00 N ATOM 173 CA GLU A 11 10.634 -4.989 5.299 1.00 0.00 C ATOM 174 C GLU A 11 11.329 -3.650 5.341 1.00 0.00 C ATOM 175 O GLU A 11 10.697 -2.633 5.575 1.00 0.00 O ATOM 176 CB GLU A 11 11.077 -5.852 6.479 1.00 0.00 C ATOM 177 CG GLU A 11 10.345 -7.175 6.569 1.00 0.00 C ATOM 178 CD GLU A 11 8.869 -6.988 6.728 1.00 0.00 C ATOM 179 OE1 GLU A 11 8.148 -6.858 5.722 1.00 0.00 O ATOM 180 OE2 GLU A 11 8.396 -6.948 7.863 1.00 0.00 O ATOM 0 H GLU A 11 11.367 -6.566 4.145 1.00 0.00 H new ATOM 0 HA GLU A 11 9.558 -4.832 5.374 1.00 0.00 H new ATOM 0 HB2 GLU A 11 12.147 -6.043 6.398 1.00 0.00 H new ATOM 0 HB3 GLU A 11 10.922 -5.296 7.404 1.00 0.00 H new ATOM 0 HG2 GLU A 11 10.542 -7.760 5.671 1.00 0.00 H new ATOM 0 HG3 GLU A 11 10.731 -7.747 7.413 1.00 0.00 H new ATOM 187 N ASN A 12 12.608 -3.661 5.048 1.00 0.00 N ATOM 188 CA ASN A 12 13.429 -2.458 5.061 1.00 0.00 C ATOM 189 C ASN A 12 12.910 -1.402 4.079 1.00 0.00 C ATOM 190 O ASN A 12 12.684 -0.258 4.459 1.00 0.00 O ATOM 191 CB ASN A 12 14.883 -2.812 4.727 1.00 0.00 C ATOM 192 CG ASN A 12 15.818 -1.618 4.799 1.00 0.00 C ATOM 193 OD1 ASN A 12 16.379 -1.324 5.848 1.00 0.00 O ATOM 194 ND2 ASN A 12 16.016 -0.942 3.694 1.00 0.00 N ATOM 0 H ASN A 12 13.118 -4.506 4.791 1.00 0.00 H new ATOM 0 HA ASN A 12 13.376 -2.033 6.063 1.00 0.00 H new ATOM 0 HB2 ASN A 12 15.231 -3.581 5.417 1.00 0.00 H new ATOM 0 HB3 ASN A 12 14.926 -3.240 3.725 1.00 0.00 H new ATOM 0 HD21 ASN A 12 16.653 -0.145 3.691 1.00 0.00 H new ATOM 0 HD22 ASN A 12 15.533 -1.213 2.837 1.00 0.00 H new ATOM 201 N LYS A 13 12.671 -1.814 2.838 1.00 0.00 N ATOM 202 CA LYS A 13 12.263 -0.898 1.770 1.00 0.00 C ATOM 203 C LYS A 13 10.878 -0.304 2.069 1.00 0.00 C ATOM 204 O LYS A 13 10.641 0.895 1.880 1.00 0.00 O ATOM 205 CB LYS A 13 12.268 -1.640 0.421 1.00 0.00 C ATOM 206 CG LYS A 13 12.201 -0.739 -0.808 1.00 0.00 C ATOM 207 CD LYS A 13 13.367 0.246 -0.844 1.00 0.00 C ATOM 208 CE LYS A 13 14.736 -0.425 -0.927 1.00 0.00 C ATOM 209 NZ LYS A 13 15.019 -1.014 -2.249 1.00 0.00 N ATOM 0 H LYS A 13 12.753 -2.787 2.542 1.00 0.00 H new ATOM 0 HA LYS A 13 12.973 -0.073 1.716 1.00 0.00 H new ATOM 0 HB2 LYS A 13 13.172 -2.247 0.360 1.00 0.00 H new ATOM 0 HB3 LYS A 13 11.421 -2.326 0.397 1.00 0.00 H new ATOM 0 HG2 LYS A 13 12.212 -1.351 -1.710 1.00 0.00 H new ATOM 0 HG3 LYS A 13 11.259 -0.190 -0.807 1.00 0.00 H new ATOM 0 HD2 LYS A 13 13.245 0.909 -1.701 1.00 0.00 H new ATOM 0 HD3 LYS A 13 13.332 0.870 0.049 1.00 0.00 H new ATOM 0 HE2 LYS A 13 15.507 0.309 -0.691 1.00 0.00 H new ATOM 0 HE3 LYS A 13 14.797 -1.206 -0.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 15.796 -1.700 -2.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 14.168 -1.496 -2.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 15.292 -0.262 -2.913 1.00 0.00 H new ATOM 223 N LYS A 14 9.992 -1.151 2.548 1.00 0.00 N ATOM 224 CA LYS A 14 8.669 -0.783 2.980 1.00 0.00 C ATOM 225 C LYS A 14 8.765 0.239 4.118 1.00 0.00 C ATOM 226 O LYS A 14 8.077 1.248 4.103 1.00 0.00 O ATOM 227 CB LYS A 14 7.954 -2.061 3.442 1.00 0.00 C ATOM 228 CG LYS A 14 6.604 -1.886 4.109 1.00 0.00 C ATOM 229 CD LYS A 14 6.182 -3.171 4.830 1.00 0.00 C ATOM 230 CE LYS A 14 7.000 -3.396 6.092 1.00 0.00 C ATOM 231 NZ LYS A 14 6.714 -4.697 6.744 1.00 0.00 N ATOM 0 H LYS A 14 10.184 -2.148 2.649 1.00 0.00 H new ATOM 0 HA LYS A 14 8.105 -0.323 2.168 1.00 0.00 H new ATOM 0 HB2 LYS A 14 7.823 -2.709 2.576 1.00 0.00 H new ATOM 0 HB3 LYS A 14 8.610 -2.585 4.136 1.00 0.00 H new ATOM 0 HG2 LYS A 14 6.649 -1.062 4.821 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.856 -1.620 3.362 1.00 0.00 H new ATOM 0 HD2 LYS A 14 5.124 -3.115 5.086 1.00 0.00 H new ATOM 0 HD3 LYS A 14 6.303 -4.022 4.160 1.00 0.00 H new ATOM 0 HE2 LYS A 14 8.060 -3.345 5.845 1.00 0.00 H new ATOM 0 HE3 LYS A 14 6.798 -2.590 6.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 7.196 -4.737 7.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 5.688 -4.797 6.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 7.057 -5.471 6.140 1.00 0.00 H new ATOM 245 N LYS A 15 9.655 -0.010 5.082 1.00 0.00 N ATOM 246 CA LYS A 15 9.846 0.899 6.205 1.00 0.00 C ATOM 247 C LYS A 15 10.415 2.232 5.759 1.00 0.00 C ATOM 248 O LYS A 15 10.019 3.275 6.290 1.00 0.00 O ATOM 249 CB LYS A 15 10.687 0.267 7.306 1.00 0.00 C ATOM 250 CG LYS A 15 10.012 -0.934 7.952 1.00 0.00 C ATOM 251 CD LYS A 15 10.899 -1.614 8.976 1.00 0.00 C ATOM 252 CE LYS A 15 11.149 -0.725 10.189 1.00 0.00 C ATOM 253 NZ LYS A 15 11.985 -1.393 11.200 1.00 0.00 N ATOM 0 H LYS A 15 10.253 -0.836 5.103 1.00 0.00 H new ATOM 0 HA LYS A 15 8.861 1.097 6.628 1.00 0.00 H new ATOM 0 HB2 LYS A 15 11.647 -0.042 6.891 1.00 0.00 H new ATOM 0 HB3 LYS A 15 10.896 1.015 8.071 1.00 0.00 H new ATOM 0 HG2 LYS A 15 9.088 -0.613 8.432 1.00 0.00 H new ATOM 0 HG3 LYS A 15 9.737 -1.652 7.179 1.00 0.00 H new ATOM 0 HD2 LYS A 15 10.434 -2.546 9.298 1.00 0.00 H new ATOM 0 HD3 LYS A 15 11.851 -1.876 8.515 1.00 0.00 H new ATOM 0 HE2 LYS A 15 11.635 0.197 9.869 1.00 0.00 H new ATOM 0 HE3 LYS A 15 10.195 -0.444 10.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 12.130 -0.754 12.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 11.511 -2.260 11.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 12.905 -1.638 10.782 1.00 0.00 H new ATOM 267 N GLU A 16 11.323 2.201 4.773 1.00 0.00 N ATOM 268 CA GLU A 16 11.852 3.429 4.168 1.00 0.00 C ATOM 269 C GLU A 16 10.700 4.257 3.612 1.00 0.00 C ATOM 270 O GLU A 16 10.649 5.476 3.785 1.00 0.00 O ATOM 271 CB GLU A 16 12.826 3.129 3.021 1.00 0.00 C ATOM 272 CG GLU A 16 14.150 2.493 3.398 1.00 0.00 C ATOM 273 CD GLU A 16 15.029 2.270 2.174 1.00 0.00 C ATOM 274 OE1 GLU A 16 15.531 3.272 1.584 1.00 0.00 O ATOM 275 OE2 GLU A 16 15.217 1.119 1.762 1.00 0.00 O ATOM 0 H GLU A 16 11.705 1.341 4.379 1.00 0.00 H new ATOM 0 HA GLU A 16 12.388 3.972 4.946 1.00 0.00 H new ATOM 0 HB2 GLU A 16 12.323 2.472 2.311 1.00 0.00 H new ATOM 0 HB3 GLU A 16 13.034 4.063 2.499 1.00 0.00 H new ATOM 0 HG2 GLU A 16 14.672 3.131 4.111 1.00 0.00 H new ATOM 0 HG3 GLU A 16 13.969 1.540 3.896 1.00 0.00 H new ATOM 282 N LEU A 17 9.763 3.571 2.969 1.00 0.00 N ATOM 283 CA LEU A 17 8.600 4.204 2.406 1.00 0.00 C ATOM 284 C LEU A 17 7.738 4.775 3.493 1.00 0.00 C ATOM 285 O LEU A 17 7.298 5.913 3.388 1.00 0.00 O ATOM 286 CB LEU A 17 7.831 3.217 1.473 1.00 0.00 C ATOM 287 CG LEU A 17 6.348 3.518 1.096 1.00 0.00 C ATOM 288 CD1 LEU A 17 5.386 3.128 2.188 1.00 0.00 C ATOM 289 CD2 LEU A 17 6.141 4.955 0.632 1.00 0.00 C ATOM 0 H LEU A 17 9.798 2.561 2.829 1.00 0.00 H new ATOM 0 HA LEU A 17 8.913 5.040 1.780 1.00 0.00 H new ATOM 0 HB2 LEU A 17 8.395 3.139 0.544 1.00 0.00 H new ATOM 0 HB3 LEU A 17 7.856 2.235 1.945 1.00 0.00 H new ATOM 0 HG LEU A 17 6.120 2.883 0.240 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.368 3.358 1.875 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.472 2.059 2.384 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.621 3.684 3.096 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.091 5.109 0.382 1.00 0.00 H new ATOM 0 HD22 LEU A 17 6.429 5.640 1.430 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.755 5.145 -0.248 1.00 0.00 H new ATOM 301 N ILE A 18 7.506 3.994 4.531 1.00 0.00 N ATOM 302 CA ILE A 18 6.663 4.422 5.624 1.00 0.00 C ATOM 303 C ILE A 18 7.205 5.707 6.227 1.00 0.00 C ATOM 304 O ILE A 18 6.457 6.617 6.496 1.00 0.00 O ATOM 305 CB ILE A 18 6.518 3.344 6.719 1.00 0.00 C ATOM 306 CG1 ILE A 18 5.967 2.052 6.114 1.00 0.00 C ATOM 307 CG2 ILE A 18 5.565 3.852 7.793 1.00 0.00 C ATOM 308 CD1 ILE A 18 6.045 0.861 7.035 1.00 0.00 C ATOM 0 H ILE A 18 7.893 3.056 4.638 1.00 0.00 H new ATOM 0 HA ILE A 18 5.669 4.597 5.213 1.00 0.00 H new ATOM 0 HB ILE A 18 7.495 3.139 7.157 1.00 0.00 H new ATOM 0 HG12 ILE A 18 4.927 2.211 5.830 1.00 0.00 H new ATOM 0 HG13 ILE A 18 6.517 1.828 5.200 1.00 0.00 H new ATOM 0 HG21 ILE A 18 5.457 3.096 8.571 1.00 0.00 H new ATOM 0 HG22 ILE A 18 5.964 4.768 8.230 1.00 0.00 H new ATOM 0 HG23 ILE A 18 4.591 4.057 7.348 1.00 0.00 H new ATOM 0 HD11 ILE A 18 5.635 -0.015 6.533 1.00 0.00 H new ATOM 0 HD12 ILE A 18 7.086 0.673 7.300 1.00 0.00 H new ATOM 0 HD13 ILE A 18 5.471 1.062 7.940 1.00 0.00 H new ATOM 320 N GLN A 19 8.515 5.776 6.380 1.00 0.00 N ATOM 321 CA GLN A 19 9.178 6.969 6.882 1.00 0.00 C ATOM 322 C GLN A 19 8.958 8.162 5.938 1.00 0.00 C ATOM 323 O GLN A 19 8.717 9.286 6.390 1.00 0.00 O ATOM 324 CB GLN A 19 10.664 6.694 7.090 1.00 0.00 C ATOM 325 CG GLN A 19 10.936 5.703 8.216 1.00 0.00 C ATOM 326 CD GLN A 19 12.384 5.253 8.308 1.00 0.00 C ATOM 327 OE1 GLN A 19 12.667 4.133 8.757 1.00 0.00 O ATOM 328 NE2 GLN A 19 13.300 6.091 7.906 1.00 0.00 N ATOM 0 H GLN A 19 9.150 5.008 6.160 1.00 0.00 H new ATOM 0 HA GLN A 19 8.739 7.232 7.845 1.00 0.00 H new ATOM 0 HB2 GLN A 19 11.089 6.308 6.164 1.00 0.00 H new ATOM 0 HB3 GLN A 19 11.174 7.632 7.308 1.00 0.00 H new ATOM 0 HG2 GLN A 19 10.647 6.157 9.164 1.00 0.00 H new ATOM 0 HG3 GLN A 19 10.302 4.827 8.076 1.00 0.00 H new ATOM 0 HE21 GLN A 19 13.031 7.005 7.542 1.00 0.00 H new ATOM 0 HE22 GLN A 19 14.285 5.832 7.956 1.00 0.00 H new ATOM 337 N LEU A 20 8.999 7.904 4.641 1.00 0.00 N ATOM 338 CA LEU A 20 8.780 8.936 3.637 1.00 0.00 C ATOM 339 C LEU A 20 7.328 9.417 3.631 1.00 0.00 C ATOM 340 O LEU A 20 7.073 10.626 3.670 1.00 0.00 O ATOM 341 CB LEU A 20 9.200 8.462 2.243 1.00 0.00 C ATOM 342 CG LEU A 20 10.689 8.157 2.055 1.00 0.00 C ATOM 343 CD1 LEU A 20 10.953 7.651 0.656 1.00 0.00 C ATOM 344 CD2 LEU A 20 11.535 9.389 2.332 1.00 0.00 C ATOM 0 H LEU A 20 9.184 6.978 4.254 1.00 0.00 H new ATOM 0 HA LEU A 20 9.411 9.783 3.908 1.00 0.00 H new ATOM 0 HB2 LEU A 20 8.633 7.563 2.001 1.00 0.00 H new ATOM 0 HB3 LEU A 20 8.912 9.225 1.520 1.00 0.00 H new ATOM 0 HG LEU A 20 10.966 7.381 2.769 1.00 0.00 H new ATOM 0 HD11 LEU A 20 12.016 7.439 0.540 1.00 0.00 H new ATOM 0 HD12 LEU A 20 10.381 6.739 0.485 1.00 0.00 H new ATOM 0 HD13 LEU A 20 10.653 8.409 -0.068 1.00 0.00 H new ATOM 0 HD21 LEU A 20 12.588 9.146 2.192 1.00 0.00 H new ATOM 0 HD22 LEU A 20 11.252 10.187 1.645 1.00 0.00 H new ATOM 0 HD23 LEU A 20 11.372 9.719 3.358 1.00 0.00 H new ATOM 356 N VAL A 21 6.379 8.492 3.586 1.00 0.00 N ATOM 357 CA VAL A 21 4.982 8.874 3.636 1.00 0.00 C ATOM 358 C VAL A 21 4.605 9.493 5.002 1.00 0.00 C ATOM 359 O VAL A 21 3.773 10.388 5.077 1.00 0.00 O ATOM 360 CB VAL A 21 4.022 7.729 3.172 1.00 0.00 C ATOM 361 CG1 VAL A 21 4.204 6.465 3.937 1.00 0.00 C ATOM 362 CG2 VAL A 21 2.569 8.159 3.138 1.00 0.00 C ATOM 0 H VAL A 21 6.550 7.489 3.516 1.00 0.00 H new ATOM 0 HA VAL A 21 4.840 9.666 2.901 1.00 0.00 H new ATOM 0 HB VAL A 21 4.313 7.512 2.144 1.00 0.00 H new ATOM 0 HG11 VAL A 21 3.509 5.712 3.566 1.00 0.00 H new ATOM 0 HG12 VAL A 21 5.226 6.108 3.812 1.00 0.00 H new ATOM 0 HG13 VAL A 21 4.010 6.648 4.994 1.00 0.00 H new ATOM 0 HG21 VAL A 21 1.950 7.324 2.809 1.00 0.00 H new ATOM 0 HG22 VAL A 21 2.258 8.470 4.135 1.00 0.00 H new ATOM 0 HG23 VAL A 21 2.452 8.992 2.445 1.00 0.00 H new ATOM 372 N ALA A 22 5.257 9.044 6.062 1.00 0.00 N ATOM 373 CA ALA A 22 5.066 9.614 7.393 1.00 0.00 C ATOM 374 C ALA A 22 5.437 11.094 7.401 1.00 0.00 C ATOM 375 O ALA A 22 4.633 11.945 7.793 1.00 0.00 O ATOM 376 CB ALA A 22 5.895 8.867 8.429 1.00 0.00 C ATOM 0 H ALA A 22 5.931 8.279 6.029 1.00 0.00 H new ATOM 0 HA ALA A 22 4.012 9.512 7.652 1.00 0.00 H new ATOM 0 HB1 ALA A 22 5.735 9.311 9.412 1.00 0.00 H new ATOM 0 HB2 ALA A 22 5.593 7.820 8.450 1.00 0.00 H new ATOM 0 HB3 ALA A 22 6.951 8.935 8.168 1.00 0.00 H new ATOM 382 N ARG A 23 6.632 11.402 6.904 1.00 0.00 N ATOM 383 CA ARG A 23 7.140 12.774 6.865 1.00 0.00 C ATOM 384 C ARG A 23 6.349 13.676 5.920 1.00 0.00 C ATOM 385 O ARG A 23 6.488 14.904 5.964 1.00 0.00 O ATOM 386 CB ARG A 23 8.648 12.841 6.620 1.00 0.00 C ATOM 387 CG ARG A 23 9.100 12.291 5.293 1.00 0.00 C ATOM 388 CD ARG A 23 10.608 12.212 5.213 1.00 0.00 C ATOM 389 NE ARG A 23 11.160 11.334 6.257 1.00 0.00 N ATOM 390 CZ ARG A 23 12.354 10.740 6.216 1.00 0.00 C ATOM 391 NH1 ARG A 23 13.146 10.888 5.152 1.00 0.00 N ATOM 392 NH2 ARG A 23 12.752 9.993 7.238 1.00 0.00 N ATOM 0 H ARG A 23 7.275 10.711 6.518 1.00 0.00 H new ATOM 0 HA ARG A 23 6.979 13.177 7.865 1.00 0.00 H new ATOM 0 HB2 ARG A 23 8.967 13.881 6.694 1.00 0.00 H new ATOM 0 HB3 ARG A 23 9.155 12.294 7.415 1.00 0.00 H new ATOM 0 HG2 ARG A 23 8.674 11.299 5.145 1.00 0.00 H new ATOM 0 HG3 ARG A 23 8.724 12.923 4.488 1.00 0.00 H new ATOM 0 HD2 ARG A 23 10.902 11.841 4.231 1.00 0.00 H new ATOM 0 HD3 ARG A 23 11.031 13.211 5.316 1.00 0.00 H new ATOM 0 HE ARG A 23 10.582 11.166 7.080 1.00 0.00 H new ATOM 0 HH11 ARG A 23 12.840 11.458 4.364 1.00 0.00 H new ATOM 0 HH12 ARG A 23 14.058 10.431 5.127 1.00 0.00 H new ATOM 0 HH21 ARG A 23 12.146 9.875 8.050 1.00 0.00 H new ATOM 0 HH22 ARG A 23 13.664 9.537 7.212 1.00 0.00 H new ATOM 406 N HIS A 24 5.585 13.064 5.017 1.00 0.00 N ATOM 407 CA HIS A 24 4.671 13.799 4.135 1.00 0.00 C ATOM 408 C HIS A 24 3.724 14.675 4.962 1.00 0.00 C ATOM 409 O HIS A 24 3.475 15.825 4.619 1.00 0.00 O ATOM 410 CB HIS A 24 3.844 12.815 3.258 1.00 0.00 C ATOM 411 CG HIS A 24 2.753 13.462 2.420 1.00 0.00 C ATOM 412 ND1 HIS A 24 1.471 13.729 2.872 1.00 0.00 N ATOM 413 CD2 HIS A 24 2.790 13.917 1.151 1.00 0.00 C ATOM 414 CE1 HIS A 24 0.805 14.326 1.887 1.00 0.00 C ATOM 415 NE2 HIS A 24 1.558 14.467 0.818 1.00 0.00 N ATOM 0 H HIS A 24 5.579 12.054 4.874 1.00 0.00 H new ATOM 0 HA HIS A 24 5.268 14.435 3.481 1.00 0.00 H new ATOM 0 HB2 HIS A 24 4.525 12.284 2.593 1.00 0.00 H new ATOM 0 HB3 HIS A 24 3.387 12.069 3.908 1.00 0.00 H new ATOM 0 HD2 HIS A 24 3.646 13.862 0.494 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -0.222 14.653 1.956 1.00 0.00 H new ATOM 0 HE2 HIS A 24 1.293 14.892 -0.071 1.00 0.00 H new ATOM 423 N GLY A 25 3.237 14.136 6.058 1.00 0.00 N ATOM 424 CA GLY A 25 2.287 14.872 6.847 1.00 0.00 C ATOM 425 C GLY A 25 1.477 13.995 7.753 1.00 0.00 C ATOM 426 O GLY A 25 0.700 14.497 8.558 1.00 0.00 O ATOM 0 H GLY A 25 3.479 13.211 6.414 1.00 0.00 H new ATOM 0 HA2 GLY A 25 2.816 15.613 7.445 1.00 0.00 H new ATOM 0 HA3 GLY A 25 1.616 15.418 6.183 1.00 0.00 H new ATOM 430 N LEU A 26 1.626 12.687 7.600 1.00 0.00 N ATOM 431 CA LEU A 26 0.972 11.727 8.438 1.00 0.00 C ATOM 432 C LEU A 26 1.273 11.910 9.909 1.00 0.00 C ATOM 433 O LEU A 26 2.384 12.283 10.314 1.00 0.00 O ATOM 434 CB LEU A 26 1.347 10.316 8.029 1.00 0.00 C ATOM 435 CG LEU A 26 0.545 9.686 6.897 1.00 0.00 C ATOM 436 CD1 LEU A 26 0.707 10.403 5.576 1.00 0.00 C ATOM 437 CD2 LEU A 26 0.846 8.208 6.781 1.00 0.00 C ATOM 0 H LEU A 26 2.214 12.271 6.878 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.096 11.892 8.299 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.398 10.315 7.740 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.257 9.674 8.905 1.00 0.00 H new ATOM 0 HG LEU A 26 -0.507 9.799 7.159 1.00 0.00 H new ATOM 0 HD11 LEU A 26 0.109 9.902 4.814 1.00 0.00 H new ATOM 0 HD12 LEU A 26 0.373 11.435 5.679 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.756 10.389 5.281 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.262 7.781 5.966 1.00 0.00 H new ATOM 0 HD22 LEU A 26 1.908 8.068 6.579 1.00 0.00 H new ATOM 0 HD23 LEU A 26 0.586 7.709 7.715 1.00 0.00 H new ATOM 449 N ASP A 27 0.274 11.638 10.690 1.00 0.00 N ATOM 450 CA ASP A 27 0.373 11.676 12.129 1.00 0.00 C ATOM 451 C ASP A 27 1.062 10.401 12.543 1.00 0.00 C ATOM 452 O ASP A 27 1.042 9.433 11.790 1.00 0.00 O ATOM 453 CB ASP A 27 -1.024 11.676 12.778 1.00 0.00 C ATOM 454 CG ASP A 27 -1.986 12.690 12.202 1.00 0.00 C ATOM 455 OD1 ASP A 27 -1.960 13.866 12.611 1.00 0.00 O ATOM 456 OD2 ASP A 27 -2.801 12.319 11.335 1.00 0.00 O ATOM 0 H ASP A 27 -0.651 11.378 10.347 1.00 0.00 H new ATOM 0 HA ASP A 27 0.907 12.574 12.439 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -1.459 10.682 12.673 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -0.914 11.865 13.846 1.00 0.00 H new ATOM 461 N HIS A 28 1.629 10.357 13.718 1.00 0.00 N ATOM 462 CA HIS A 28 2.284 9.133 14.183 1.00 0.00 C ATOM 463 C HIS A 28 1.290 7.987 14.360 1.00 0.00 C ATOM 464 O HIS A 28 1.647 6.818 14.213 1.00 0.00 O ATOM 465 CB HIS A 28 3.132 9.364 15.432 1.00 0.00 C ATOM 466 CG HIS A 28 4.350 10.202 15.164 1.00 0.00 C ATOM 467 ND1 HIS A 28 4.690 11.327 15.875 1.00 0.00 N ATOM 468 CD2 HIS A 28 5.325 10.037 14.242 1.00 0.00 C ATOM 469 CE1 HIS A 28 5.829 11.806 15.378 1.00 0.00 C ATOM 470 NE2 HIS A 28 6.261 11.056 14.378 1.00 0.00 N ATOM 0 H HIS A 28 1.659 11.137 14.375 1.00 0.00 H new ATOM 0 HA HIS A 28 2.976 8.831 13.397 1.00 0.00 H new ATOM 0 HB2 HIS A 28 2.523 9.850 16.194 1.00 0.00 H new ATOM 0 HB3 HIS A 28 3.442 8.401 15.838 1.00 0.00 H new ATOM 0 HD2 HIS A 28 5.370 9.240 13.515 1.00 0.00 H new ATOM 0 HE1 HIS A 28 6.333 12.689 15.743 1.00 0.00 H new ATOM 0 HE2 HIS A 28 7.105 11.196 13.822 1.00 0.00 H new ATOM 478 N ASP A 29 0.039 8.337 14.625 1.00 0.00 N ATOM 479 CA ASP A 29 -1.061 7.370 14.686 1.00 0.00 C ATOM 480 C ASP A 29 -1.328 6.812 13.296 1.00 0.00 C ATOM 481 O ASP A 29 -1.507 5.613 13.119 1.00 0.00 O ATOM 482 CB ASP A 29 -2.311 8.044 15.257 1.00 0.00 C ATOM 483 CG ASP A 29 -3.606 7.290 15.001 1.00 0.00 C ATOM 484 OD1 ASP A 29 -3.845 6.239 15.619 1.00 0.00 O ATOM 485 OD2 ASP A 29 -4.430 7.794 14.211 1.00 0.00 O ATOM 0 H ASP A 29 -0.248 9.299 14.805 1.00 0.00 H new ATOM 0 HA ASP A 29 -0.788 6.543 15.342 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -2.183 8.167 16.333 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -2.397 9.043 14.830 1.00 0.00 H new ATOM 490 N LYS A 30 -1.267 7.696 12.299 1.00 0.00 N ATOM 491 CA LYS A 30 -1.447 7.309 10.901 1.00 0.00 C ATOM 492 C LYS A 30 -0.380 6.322 10.493 1.00 0.00 C ATOM 493 O LYS A 30 -0.658 5.378 9.785 1.00 0.00 O ATOM 494 CB LYS A 30 -1.357 8.511 9.963 1.00 0.00 C ATOM 495 CG LYS A 30 -2.466 9.531 10.070 1.00 0.00 C ATOM 496 CD LYS A 30 -3.820 8.967 9.704 1.00 0.00 C ATOM 497 CE LYS A 30 -4.887 10.063 9.687 1.00 0.00 C ATOM 498 NZ LYS A 30 -4.990 10.779 10.981 1.00 0.00 N ATOM 0 H LYS A 30 -1.093 8.692 12.437 1.00 0.00 H new ATOM 0 HA LYS A 30 -2.439 6.865 10.821 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -0.409 9.017 10.146 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -1.329 8.143 8.937 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -2.502 9.916 11.089 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -2.241 10.375 9.418 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -3.767 8.492 8.724 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -4.100 8.193 10.419 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -4.655 10.778 8.898 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -5.853 9.621 9.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -5.850 11.363 10.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -5.035 10.088 11.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -4.157 11.388 11.108 1.00 0.00 H new ATOM 512 N VAL A 31 0.835 6.537 10.986 1.00 0.00 N ATOM 513 CA VAL A 31 1.971 5.697 10.659 1.00 0.00 C ATOM 514 C VAL A 31 1.747 4.287 11.204 1.00 0.00 C ATOM 515 O VAL A 31 2.051 3.299 10.539 1.00 0.00 O ATOM 516 CB VAL A 31 3.299 6.298 11.213 1.00 0.00 C ATOM 517 CG1 VAL A 31 4.501 5.439 10.859 1.00 0.00 C ATOM 518 CG2 VAL A 31 3.494 7.709 10.696 1.00 0.00 C ATOM 0 H VAL A 31 1.055 7.301 11.624 1.00 0.00 H new ATOM 0 HA VAL A 31 2.062 5.648 9.574 1.00 0.00 H new ATOM 0 HB VAL A 31 3.219 6.321 12.300 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.405 5.894 11.264 1.00 0.00 H new ATOM 0 HG12 VAL A 31 4.374 4.443 11.284 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.587 5.363 9.775 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.425 8.116 11.091 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.537 7.695 9.607 1.00 0.00 H new ATOM 0 HG23 VAL A 31 2.660 8.333 11.018 1.00 0.00 H new ATOM 528 N LEU A 32 1.166 4.211 12.386 1.00 0.00 N ATOM 529 CA LEU A 32 0.841 2.939 13.024 1.00 0.00 C ATOM 530 C LEU A 32 -0.197 2.190 12.226 1.00 0.00 C ATOM 531 O LEU A 32 -0.029 1.005 11.937 1.00 0.00 O ATOM 532 CB LEU A 32 0.338 3.180 14.439 1.00 0.00 C ATOM 533 CG LEU A 32 1.347 3.798 15.397 1.00 0.00 C ATOM 534 CD1 LEU A 32 0.694 4.090 16.723 1.00 0.00 C ATOM 535 CD2 LEU A 32 2.536 2.873 15.582 1.00 0.00 C ATOM 0 H LEU A 32 0.903 5.029 12.936 1.00 0.00 H new ATOM 0 HA LEU A 32 1.746 2.333 13.065 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.535 3.830 14.390 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.004 2.229 14.854 1.00 0.00 H new ATOM 0 HG LEU A 32 1.704 4.736 14.972 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.426 4.532 17.399 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.132 4.787 16.576 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.315 3.163 17.154 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.248 3.329 16.270 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.196 1.921 15.990 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.018 2.704 14.619 1.00 0.00 H new ATOM 547 N LEU A 33 -1.234 2.892 11.838 1.00 0.00 N ATOM 548 CA LEU A 33 -2.327 2.313 11.073 1.00 0.00 C ATOM 549 C LEU A 33 -1.852 1.901 9.695 1.00 0.00 C ATOM 550 O LEU A 33 -2.144 0.803 9.222 1.00 0.00 O ATOM 551 CB LEU A 33 -3.449 3.320 10.930 1.00 0.00 C ATOM 552 CG LEU A 33 -3.970 3.930 12.222 1.00 0.00 C ATOM 553 CD1 LEU A 33 -5.027 4.972 11.928 1.00 0.00 C ATOM 554 CD2 LEU A 33 -4.503 2.854 13.149 1.00 0.00 C ATOM 0 H LEU A 33 -1.350 3.885 12.041 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.688 1.433 11.605 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.105 4.128 10.284 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.281 2.836 10.419 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.141 4.424 12.729 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.388 5.398 12.864 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.598 5.762 11.312 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.857 4.508 11.396 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.870 3.314 14.067 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.318 2.322 12.658 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.704 2.152 13.389 1.00 0.00 H new ATOM 566 N PHE A 34 -1.104 2.779 9.076 1.00 0.00 N ATOM 567 CA PHE A 34 -0.581 2.556 7.757 1.00 0.00 C ATOM 568 C PHE A 34 0.335 1.351 7.731 1.00 0.00 C ATOM 569 O PHE A 34 0.114 0.439 6.958 1.00 0.00 O ATOM 570 CB PHE A 34 0.147 3.810 7.248 1.00 0.00 C ATOM 571 CG PHE A 34 0.766 3.654 5.895 1.00 0.00 C ATOM 572 CD1 PHE A 34 -0.021 3.616 4.760 1.00 0.00 C ATOM 573 CD2 PHE A 34 2.137 3.543 5.761 1.00 0.00 C ATOM 574 CE1 PHE A 34 0.551 3.468 3.522 1.00 0.00 C ATOM 575 CE2 PHE A 34 2.711 3.396 4.523 1.00 0.00 C ATOM 576 CZ PHE A 34 1.921 3.357 3.408 1.00 0.00 C ATOM 0 H PHE A 34 -0.840 3.677 9.480 1.00 0.00 H new ATOM 0 HA PHE A 34 -1.418 2.351 7.090 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -0.560 4.639 7.218 1.00 0.00 H new ATOM 0 HB3 PHE A 34 0.925 4.080 7.962 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -1.094 3.703 4.848 1.00 0.00 H new ATOM 0 HD2 PHE A 34 2.764 3.572 6.640 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -0.070 3.438 2.639 1.00 0.00 H new ATOM 0 HE2 PHE A 34 3.784 3.311 4.430 1.00 0.00 H new ATOM 0 HZ PHE A 34 2.372 3.239 2.434 1.00 0.00 H new ATOM 586 N SER A 35 1.314 1.322 8.621 1.00 0.00 N ATOM 587 CA SER A 35 2.311 0.271 8.622 1.00 0.00 C ATOM 588 C SER A 35 1.706 -1.111 8.875 1.00 0.00 C ATOM 589 O SER A 35 2.130 -2.090 8.258 1.00 0.00 O ATOM 590 CB SER A 35 3.423 0.585 9.626 1.00 0.00 C ATOM 591 OG SER A 35 2.893 0.802 10.925 1.00 0.00 O ATOM 0 H SER A 35 1.437 2.020 9.355 1.00 0.00 H new ATOM 0 HA SER A 35 2.746 0.238 7.623 1.00 0.00 H new ATOM 0 HB2 SER A 35 4.135 -0.239 9.654 1.00 0.00 H new ATOM 0 HB3 SER A 35 3.971 1.469 9.301 1.00 0.00 H new ATOM 0 HG SER A 35 2.522 1.707 10.980 1.00 0.00 H new ATOM 597 N ARG A 36 0.700 -1.182 9.745 1.00 0.00 N ATOM 598 CA ARG A 36 0.086 -2.460 10.075 1.00 0.00 C ATOM 599 C ARG A 36 -0.777 -2.972 8.918 1.00 0.00 C ATOM 600 O ARG A 36 -0.731 -4.161 8.570 1.00 0.00 O ATOM 601 CB ARG A 36 -0.712 -2.379 11.397 1.00 0.00 C ATOM 602 CG ARG A 36 -1.909 -1.438 11.372 1.00 0.00 C ATOM 603 CD ARG A 36 -2.510 -1.239 12.750 1.00 0.00 C ATOM 604 NE ARG A 36 -3.012 -2.502 13.334 1.00 0.00 N ATOM 605 CZ ARG A 36 -3.532 -2.634 14.564 1.00 0.00 C ATOM 606 NH1 ARG A 36 -3.626 -1.588 15.375 1.00 0.00 N ATOM 607 NH2 ARG A 36 -3.966 -3.818 14.977 1.00 0.00 N ATOM 0 H ARG A 36 0.299 -0.378 10.227 1.00 0.00 H new ATOM 0 HA ARG A 36 0.886 -3.184 10.230 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -1.061 -3.379 11.655 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -0.037 -2.062 12.192 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -1.602 -0.473 10.969 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -2.669 -1.837 10.700 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -1.759 -0.809 13.412 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -3.328 -0.521 12.687 1.00 0.00 H new ATOM 0 HE ARG A 36 -2.959 -3.340 12.755 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -3.301 -0.672 15.066 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -4.023 -1.700 16.308 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -3.904 -4.628 14.360 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -4.361 -3.919 15.912 1.00 0.00 H new ATOM 621 N ASP A 37 -1.525 -2.066 8.293 1.00 0.00 N ATOM 622 CA ASP A 37 -2.412 -2.439 7.194 1.00 0.00 C ATOM 623 C ASP A 37 -1.561 -2.818 5.982 1.00 0.00 C ATOM 624 O ASP A 37 -1.764 -3.863 5.354 1.00 0.00 O ATOM 625 CB ASP A 37 -3.340 -1.267 6.847 1.00 0.00 C ATOM 626 CG ASP A 37 -4.573 -1.682 6.065 1.00 0.00 C ATOM 627 OD1 ASP A 37 -4.483 -1.990 4.874 1.00 0.00 O ATOM 628 OD2 ASP A 37 -5.683 -1.703 6.654 1.00 0.00 O ATOM 0 H ASP A 37 -1.535 -1.073 8.527 1.00 0.00 H new ATOM 0 HA ASP A 37 -3.028 -3.289 7.488 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -3.652 -0.776 7.769 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -2.782 -0.532 6.267 1.00 0.00 H new ATOM 633 N LEU A 38 -0.566 -1.979 5.716 1.00 0.00 N ATOM 634 CA LEU A 38 0.399 -2.152 4.629 1.00 0.00 C ATOM 635 C LEU A 38 1.091 -3.504 4.706 1.00 0.00 C ATOM 636 O LEU A 38 1.129 -4.243 3.727 1.00 0.00 O ATOM 637 CB LEU A 38 1.445 -1.026 4.718 1.00 0.00 C ATOM 638 CG LEU A 38 2.684 -1.123 3.833 1.00 0.00 C ATOM 639 CD1 LEU A 38 2.320 -1.135 2.379 1.00 0.00 C ATOM 640 CD2 LEU A 38 3.614 0.025 4.123 1.00 0.00 C ATOM 0 H LEU A 38 -0.401 -1.135 6.264 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.132 -2.108 3.678 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.943 -0.086 4.487 1.00 0.00 H new ATOM 0 HB3 LEU A 38 1.779 -0.963 5.754 1.00 0.00 H new ATOM 0 HG LEU A 38 3.187 -2.063 4.060 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.226 -1.205 1.778 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.680 -1.992 2.171 1.00 0.00 H new ATOM 0 HD13 LEU A 38 1.789 -0.217 2.129 1.00 0.00 H new ATOM 0 HD21 LEU A 38 4.496 -0.052 3.487 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.103 0.967 3.923 1.00 0.00 H new ATOM 0 HD23 LEU A 38 3.917 -0.008 5.169 1.00 0.00 H new ATOM 652 N ASP A 39 1.599 -3.817 5.880 1.00 0.00 N ATOM 653 CA ASP A 39 2.347 -5.050 6.132 1.00 0.00 C ATOM 654 C ASP A 39 1.534 -6.271 5.744 1.00 0.00 C ATOM 655 O ASP A 39 2.007 -7.150 5.005 1.00 0.00 O ATOM 656 CB ASP A 39 2.708 -5.118 7.604 1.00 0.00 C ATOM 657 CG ASP A 39 3.603 -6.267 7.949 1.00 0.00 C ATOM 658 OD1 ASP A 39 4.733 -6.312 7.433 1.00 0.00 O ATOM 659 OD2 ASP A 39 3.224 -7.097 8.802 1.00 0.00 O ATOM 0 H ASP A 39 1.508 -3.220 6.702 1.00 0.00 H new ATOM 0 HA ASP A 39 3.252 -5.042 5.525 1.00 0.00 H new ATOM 0 HB2 ASP A 39 3.197 -4.188 7.893 1.00 0.00 H new ATOM 0 HB3 ASP A 39 1.793 -5.192 8.191 1.00 0.00 H new ATOM 664 N LYS A 40 0.290 -6.280 6.186 1.00 0.00 N ATOM 665 CA LYS A 40 -0.616 -7.377 5.916 1.00 0.00 C ATOM 666 C LYS A 40 -0.984 -7.465 4.442 1.00 0.00 C ATOM 667 O LYS A 40 -1.159 -8.558 3.912 1.00 0.00 O ATOM 668 CB LYS A 40 -1.867 -7.251 6.759 1.00 0.00 C ATOM 669 CG LYS A 40 -1.609 -7.375 8.253 1.00 0.00 C ATOM 670 CD LYS A 40 -2.874 -7.155 9.068 1.00 0.00 C ATOM 671 CE LYS A 40 -3.957 -8.179 8.748 1.00 0.00 C ATOM 672 NZ LYS A 40 -3.544 -9.563 9.061 1.00 0.00 N ATOM 0 H LYS A 40 -0.119 -5.528 6.741 1.00 0.00 H new ATOM 0 HA LYS A 40 -0.096 -8.297 6.181 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.335 -6.287 6.558 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -2.578 -8.020 6.456 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -1.205 -8.364 8.471 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -0.854 -6.649 8.552 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -2.632 -7.206 10.130 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -3.257 -6.153 8.876 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -4.858 -7.937 9.312 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -4.214 -8.111 7.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -4.358 -10.201 8.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -2.787 -9.855 8.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -3.195 -9.608 10.040 1.00 0.00 H new ATOM 686 N LEU A 41 -1.093 -6.317 3.790 1.00 0.00 N ATOM 687 CA LEU A 41 -1.427 -6.256 2.371 1.00 0.00 C ATOM 688 C LEU A 41 -0.306 -6.858 1.538 1.00 0.00 C ATOM 689 O LEU A 41 -0.552 -7.602 0.576 1.00 0.00 O ATOM 690 CB LEU A 41 -1.694 -4.799 1.943 1.00 0.00 C ATOM 691 CG LEU A 41 -1.916 -4.554 0.441 1.00 0.00 C ATOM 692 CD1 LEU A 41 -3.102 -5.348 -0.083 1.00 0.00 C ATOM 693 CD2 LEU A 41 -2.094 -3.072 0.166 1.00 0.00 C ATOM 0 H LEU A 41 -0.954 -5.405 4.225 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.334 -6.836 2.203 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -2.572 -4.441 2.480 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.851 -4.188 2.267 1.00 0.00 H new ATOM 0 HG LEU A 41 -1.029 -4.901 -0.090 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -3.230 -5.151 -1.147 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.924 -6.412 0.070 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -4.004 -5.051 0.452 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -2.250 -2.916 -0.901 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.958 -2.701 0.717 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -1.202 -2.533 0.485 1.00 0.00 H new ATOM 705 N ILE A 42 0.909 -6.560 1.931 1.00 0.00 N ATOM 706 CA ILE A 42 2.079 -7.050 1.239 1.00 0.00 C ATOM 707 C ILE A 42 2.170 -8.549 1.375 1.00 0.00 C ATOM 708 O ILE A 42 2.153 -9.268 0.380 1.00 0.00 O ATOM 709 CB ILE A 42 3.369 -6.390 1.775 1.00 0.00 C ATOM 710 CG1 ILE A 42 3.304 -4.887 1.548 1.00 0.00 C ATOM 711 CG2 ILE A 42 4.607 -6.982 1.102 1.00 0.00 C ATOM 712 CD1 ILE A 42 4.513 -4.144 2.024 1.00 0.00 C ATOM 0 H ILE A 42 1.116 -5.972 2.738 1.00 0.00 H new ATOM 0 HA ILE A 42 1.981 -6.788 0.186 1.00 0.00 H new ATOM 0 HB ILE A 42 3.446 -6.588 2.844 1.00 0.00 H new ATOM 0 HG12 ILE A 42 3.170 -4.697 0.483 1.00 0.00 H new ATOM 0 HG13 ILE A 42 2.424 -4.491 2.056 1.00 0.00 H new ATOM 0 HG21 ILE A 42 5.501 -6.500 1.497 1.00 0.00 H new ATOM 0 HG22 ILE A 42 4.653 -8.052 1.302 1.00 0.00 H new ATOM 0 HG23 ILE A 42 4.551 -6.816 0.026 1.00 0.00 H new ATOM 0 HD11 ILE A 42 4.387 -3.080 1.826 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.638 -4.301 3.095 1.00 0.00 H new ATOM 0 HD13 ILE A 42 5.395 -4.510 1.498 1.00 0.00 H new ATOM 724 N ASN A 43 2.198 -9.008 2.610 1.00 0.00 N ATOM 725 CA ASN A 43 2.317 -10.429 2.933 1.00 0.00 C ATOM 726 C ASN A 43 1.192 -11.257 2.319 1.00 0.00 C ATOM 727 O ASN A 43 1.400 -12.412 1.927 1.00 0.00 O ATOM 728 CB ASN A 43 2.391 -10.637 4.448 1.00 0.00 C ATOM 729 CG ASN A 43 3.705 -10.134 5.060 1.00 0.00 C ATOM 730 OD1 ASN A 43 4.769 -10.130 4.414 1.00 0.00 O ATOM 731 ND2 ASN A 43 3.650 -9.697 6.284 1.00 0.00 N ATOM 0 H ASN A 43 2.139 -8.405 3.431 1.00 0.00 H new ATOM 0 HA ASN A 43 3.248 -10.784 2.490 1.00 0.00 H new ATOM 0 HB2 ASN A 43 1.556 -10.121 4.921 1.00 0.00 H new ATOM 0 HB3 ASN A 43 2.277 -11.698 4.669 1.00 0.00 H new ATOM 0 HD21 ASN A 43 4.492 -9.340 6.736 1.00 0.00 H new ATOM 0 HD22 ASN A 43 2.765 -9.711 6.791 1.00 0.00 H new ATOM 738 N LYS A 44 0.021 -10.634 2.184 1.00 0.00 N ATOM 739 CA LYS A 44 -1.139 -11.253 1.548 1.00 0.00 C ATOM 740 C LYS A 44 -0.779 -11.669 0.119 1.00 0.00 C ATOM 741 O LYS A 44 -0.993 -12.817 -0.286 1.00 0.00 O ATOM 742 CB LYS A 44 -2.281 -10.237 1.481 1.00 0.00 C ATOM 743 CG LYS A 44 -3.560 -10.762 0.826 1.00 0.00 C ATOM 744 CD LYS A 44 -4.538 -9.638 0.469 1.00 0.00 C ATOM 745 CE LYS A 44 -4.996 -8.848 1.684 1.00 0.00 C ATOM 746 NZ LYS A 44 -5.998 -7.814 1.329 1.00 0.00 N ATOM 0 H LYS A 44 -0.149 -9.684 2.514 1.00 0.00 H new ATOM 0 HA LYS A 44 -1.441 -12.126 2.127 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -2.516 -9.906 2.493 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -1.939 -9.361 0.930 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.302 -11.315 -0.077 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.049 -11.464 1.501 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -4.063 -8.961 -0.241 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -5.408 -10.064 -0.030 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -5.423 -9.530 2.420 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -4.135 -8.372 2.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -6.284 -7.299 2.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -5.583 -7.148 0.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -6.831 -8.269 0.905 1.00 0.00 H new ATOM 760 N PHE A 45 -0.200 -10.740 -0.612 1.00 0.00 N ATOM 761 CA PHE A 45 0.193 -10.973 -1.981 1.00 0.00 C ATOM 762 C PHE A 45 1.413 -11.842 -2.087 1.00 0.00 C ATOM 763 O PHE A 45 1.524 -12.646 -3.012 1.00 0.00 O ATOM 764 CB PHE A 45 0.389 -9.672 -2.734 1.00 0.00 C ATOM 765 CG PHE A 45 -0.848 -9.224 -3.415 1.00 0.00 C ATOM 766 CD1 PHE A 45 -1.862 -8.576 -2.723 1.00 0.00 C ATOM 767 CD2 PHE A 45 -1.007 -9.472 -4.768 1.00 0.00 C ATOM 768 CE1 PHE A 45 -3.010 -8.185 -3.375 1.00 0.00 C ATOM 769 CE2 PHE A 45 -2.152 -9.081 -5.422 1.00 0.00 C ATOM 770 CZ PHE A 45 -3.155 -8.440 -4.726 1.00 0.00 C ATOM 0 H PHE A 45 0.011 -9.802 -0.271 1.00 0.00 H new ATOM 0 HA PHE A 45 -0.629 -11.514 -2.449 1.00 0.00 H new ATOM 0 HB2 PHE A 45 0.719 -8.899 -2.040 1.00 0.00 H new ATOM 0 HB3 PHE A 45 1.182 -9.798 -3.471 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -1.750 -8.377 -1.667 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -0.225 -9.977 -5.315 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -3.795 -7.680 -2.832 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -2.265 -9.276 -6.478 1.00 0.00 H new ATOM 0 HZ PHE A 45 -4.056 -8.136 -5.238 1.00 0.00 H new ATOM 780 N MET A 46 2.310 -11.705 -1.124 1.00 0.00 N ATOM 781 CA MET A 46 3.534 -12.497 -1.077 1.00 0.00 C ATOM 782 C MET A 46 3.211 -13.970 -0.907 1.00 0.00 C ATOM 783 O MET A 46 4.002 -14.817 -1.274 1.00 0.00 O ATOM 784 CB MET A 46 4.421 -12.060 0.080 1.00 0.00 C ATOM 785 CG MET A 46 4.812 -10.599 0.066 1.00 0.00 C ATOM 786 SD MET A 46 6.109 -10.218 1.246 1.00 0.00 S ATOM 787 CE MET A 46 7.407 -11.203 0.537 1.00 0.00 C ATOM 0 H MET A 46 2.213 -11.044 -0.353 1.00 0.00 H new ATOM 0 HA MET A 46 4.060 -12.339 -2.019 1.00 0.00 H new ATOM 0 HB2 MET A 46 3.904 -12.274 1.016 1.00 0.00 H new ATOM 0 HB3 MET A 46 5.328 -12.664 0.071 1.00 0.00 H new ATOM 0 HG2 MET A 46 5.146 -10.326 -0.935 1.00 0.00 H new ATOM 0 HG3 MET A 46 3.935 -9.990 0.287 1.00 0.00 H new ATOM 0 HE1 MET A 46 8.363 -10.915 0.975 1.00 0.00 H new ATOM 0 HE2 MET A 46 7.217 -12.257 0.742 1.00 0.00 H new ATOM 0 HE3 MET A 46 7.438 -11.043 -0.541 1.00 0.00 H new ATOM 1151 N LEU B 6 9.019 15.230 -2.690 1.00 0.00 N ATOM 1152 CA LEU B 6 8.849 14.398 -1.509 1.00 0.00 C ATOM 1153 C LEU B 6 7.878 13.271 -1.855 1.00 0.00 C ATOM 1154 O LEU B 6 8.140 12.096 -1.597 1.00 0.00 O ATOM 1155 CB LEU B 6 8.339 15.293 -0.327 1.00 0.00 C ATOM 1156 CG LEU B 6 7.953 14.637 1.028 1.00 0.00 C ATOM 1157 CD1 LEU B 6 6.582 13.970 0.970 1.00 0.00 C ATOM 1158 CD2 LEU B 6 9.018 13.643 1.482 1.00 0.00 C ATOM 0 HA LEU B 6 9.789 13.947 -1.192 1.00 0.00 H new ATOM 0 HB2 LEU B 6 9.113 16.032 -0.121 1.00 0.00 H new ATOM 0 HB3 LEU B 6 7.465 15.838 -0.685 1.00 0.00 H new ATOM 0 HG LEU B 6 7.896 15.439 1.764 1.00 0.00 H new ATOM 0 HD11 LEU B 6 6.353 13.525 1.938 1.00 0.00 H new ATOM 0 HD12 LEU B 6 5.825 14.715 0.725 1.00 0.00 H new ATOM 0 HD13 LEU B 6 6.587 13.193 0.205 1.00 0.00 H new ATOM 0 HD21 LEU B 6 8.721 13.200 2.433 1.00 0.00 H new ATOM 0 HD22 LEU B 6 9.126 12.858 0.734 1.00 0.00 H new ATOM 0 HD23 LEU B 6 9.970 14.160 1.605 1.00 0.00 H new ATOM 1170 N LYS B 7 6.793 13.652 -2.491 1.00 0.00 N ATOM 1171 CA LYS B 7 5.756 12.741 -2.927 1.00 0.00 C ATOM 1172 C LYS B 7 6.347 11.785 -3.979 1.00 0.00 C ATOM 1173 O LYS B 7 6.000 10.610 -4.042 1.00 0.00 O ATOM 1174 CB LYS B 7 4.623 13.588 -3.519 1.00 0.00 C ATOM 1175 CG LYS B 7 3.205 13.085 -3.280 1.00 0.00 C ATOM 1176 CD LYS B 7 2.845 11.812 -4.039 1.00 0.00 C ATOM 1177 CE LYS B 7 2.961 11.982 -5.547 1.00 0.00 C ATOM 1178 NZ LYS B 7 2.348 10.850 -6.269 1.00 0.00 N ATOM 0 H LYS B 7 6.602 14.626 -2.725 1.00 0.00 H new ATOM 0 HA LYS B 7 5.369 12.140 -2.104 1.00 0.00 H new ATOM 0 HB2 LYS B 7 4.701 14.596 -3.111 1.00 0.00 H new ATOM 0 HB3 LYS B 7 4.781 13.666 -4.595 1.00 0.00 H new ATOM 0 HG2 LYS B 7 3.072 12.906 -2.213 1.00 0.00 H new ATOM 0 HG3 LYS B 7 2.503 13.870 -3.561 1.00 0.00 H new ATOM 0 HD2 LYS B 7 3.500 11.003 -3.716 1.00 0.00 H new ATOM 0 HD3 LYS B 7 1.826 11.518 -3.787 1.00 0.00 H new ATOM 0 HE2 LYS B 7 2.477 12.911 -5.847 1.00 0.00 H new ATOM 0 HE3 LYS B 7 4.012 12.066 -5.825 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 2.853 10.696 -7.165 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 2.409 9.992 -5.685 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 1.350 11.064 -6.467 1.00 0.00 H new ATOM 1192 N ASN B 8 7.264 12.316 -4.769 1.00 0.00 N ATOM 1193 CA ASN B 8 7.976 11.563 -5.799 1.00 0.00 C ATOM 1194 C ASN B 8 8.861 10.491 -5.152 1.00 0.00 C ATOM 1195 O ASN B 8 8.935 9.375 -5.636 1.00 0.00 O ATOM 1196 CB ASN B 8 8.819 12.530 -6.658 1.00 0.00 C ATOM 1197 CG ASN B 8 9.553 11.880 -7.820 1.00 0.00 C ATOM 1198 OD1 ASN B 8 9.124 10.866 -8.361 1.00 0.00 O ATOM 1199 ND2 ASN B 8 10.627 12.502 -8.256 1.00 0.00 N ATOM 0 H ASN B 8 7.542 13.296 -4.716 1.00 0.00 H new ATOM 0 HA ASN B 8 7.256 11.062 -6.445 1.00 0.00 H new ATOM 0 HB2 ASN B 8 8.165 13.309 -7.050 1.00 0.00 H new ATOM 0 HB3 ASN B 8 9.549 13.021 -6.015 1.00 0.00 H new ATOM 0 HD21 ASN B 8 11.130 12.143 -9.068 1.00 0.00 H new ATOM 0 HD22 ASN B 8 10.957 13.343 -7.783 1.00 0.00 H new ATOM 1206 N LYS B 9 9.502 10.839 -4.031 1.00 0.00 N ATOM 1207 CA LYS B 9 10.337 9.891 -3.276 1.00 0.00 C ATOM 1208 C LYS B 9 9.473 8.779 -2.687 1.00 0.00 C ATOM 1209 O LYS B 9 9.882 7.619 -2.640 1.00 0.00 O ATOM 1210 CB LYS B 9 11.102 10.598 -2.144 1.00 0.00 C ATOM 1211 CG LYS B 9 12.108 11.650 -2.596 1.00 0.00 C ATOM 1212 CD LYS B 9 13.207 11.048 -3.457 1.00 0.00 C ATOM 1213 CE LYS B 9 14.256 12.084 -3.839 1.00 0.00 C ATOM 1214 NZ LYS B 9 14.946 12.661 -2.658 1.00 0.00 N ATOM 0 H LYS B 9 9.460 11.773 -3.623 1.00 0.00 H new ATOM 0 HA LYS B 9 11.061 9.464 -3.969 1.00 0.00 H new ATOM 0 HB2 LYS B 9 10.379 11.072 -1.480 1.00 0.00 H new ATOM 0 HB3 LYS B 9 11.628 9.845 -1.557 1.00 0.00 H new ATOM 0 HG2 LYS B 9 11.592 12.429 -3.158 1.00 0.00 H new ATOM 0 HG3 LYS B 9 12.551 12.128 -1.722 1.00 0.00 H new ATOM 0 HD2 LYS B 9 13.684 10.229 -2.918 1.00 0.00 H new ATOM 0 HD3 LYS B 9 12.770 10.623 -4.360 1.00 0.00 H new ATOM 0 HE2 LYS B 9 14.993 11.624 -4.497 1.00 0.00 H new ATOM 0 HE3 LYS B 9 13.781 12.885 -4.405 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 15.797 13.172 -2.968 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 14.306 13.319 -2.169 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 15.219 11.897 -2.008 1.00 0.00 H new ATOM 1228 N ILE B 10 8.286 9.150 -2.246 1.00 0.00 N ATOM 1229 CA ILE B 10 7.303 8.209 -1.728 1.00 0.00 C ATOM 1230 C ILE B 10 6.936 7.197 -2.807 1.00 0.00 C ATOM 1231 O ILE B 10 6.955 5.987 -2.564 1.00 0.00 O ATOM 1232 CB ILE B 10 6.053 8.969 -1.222 1.00 0.00 C ATOM 1233 CG1 ILE B 10 6.459 9.813 -0.012 1.00 0.00 C ATOM 1234 CG2 ILE B 10 4.904 8.015 -0.886 1.00 0.00 C ATOM 1235 CD1 ILE B 10 5.367 10.660 0.562 1.00 0.00 C ATOM 0 H ILE B 10 7.971 10.120 -2.236 1.00 0.00 H new ATOM 0 HA ILE B 10 7.730 7.667 -0.884 1.00 0.00 H new ATOM 0 HB ILE B 10 5.680 9.620 -2.013 1.00 0.00 H new ATOM 0 HG12 ILE B 10 6.831 9.148 0.768 1.00 0.00 H new ATOM 0 HG13 ILE B 10 7.287 10.460 -0.301 1.00 0.00 H new ATOM 0 HG21 ILE B 10 4.046 8.588 -0.535 1.00 0.00 H new ATOM 0 HG22 ILE B 10 4.625 7.454 -1.778 1.00 0.00 H new ATOM 0 HG23 ILE B 10 5.222 7.323 -0.106 1.00 0.00 H new ATOM 0 HD11 ILE B 10 5.751 11.220 1.414 1.00 0.00 H new ATOM 0 HD12 ILE B 10 5.008 11.355 -0.197 1.00 0.00 H new ATOM 0 HD13 ILE B 10 4.545 10.022 0.888 1.00 0.00 H new ATOM 1247 N GLU B 11 6.652 7.701 -4.008 1.00 0.00 N ATOM 1248 CA GLU B 11 6.372 6.852 -5.165 1.00 0.00 C ATOM 1249 C GLU B 11 7.565 5.968 -5.439 1.00 0.00 C ATOM 1250 O GLU B 11 7.443 4.756 -5.552 1.00 0.00 O ATOM 1251 CB GLU B 11 6.121 7.695 -6.409 1.00 0.00 C ATOM 1252 CG GLU B 11 4.945 8.634 -6.335 1.00 0.00 C ATOM 1253 CD GLU B 11 3.639 7.922 -6.156 1.00 0.00 C ATOM 1254 OE1 GLU B 11 3.327 7.011 -6.948 1.00 0.00 O ATOM 1255 OE2 GLU B 11 2.874 8.304 -5.248 1.00 0.00 O ATOM 0 H GLU B 11 6.610 8.701 -4.205 1.00 0.00 H new ATOM 0 HA GLU B 11 5.486 6.257 -4.941 1.00 0.00 H new ATOM 0 HB2 GLU B 11 7.017 8.280 -6.616 1.00 0.00 H new ATOM 0 HB3 GLU B 11 5.975 7.025 -7.256 1.00 0.00 H new ATOM 0 HG2 GLU B 11 5.092 9.327 -5.506 1.00 0.00 H new ATOM 0 HG3 GLU B 11 4.905 9.231 -7.246 1.00 0.00 H new ATOM 1262 N ASN B 12 8.707 6.607 -5.496 1.00 0.00 N ATOM 1263 CA ASN B 12 9.990 5.995 -5.795 1.00 0.00 C ATOM 1264 C ASN B 12 10.260 4.781 -4.902 1.00 0.00 C ATOM 1265 O ASN B 12 10.538 3.679 -5.396 1.00 0.00 O ATOM 1266 CB ASN B 12 11.092 7.040 -5.582 1.00 0.00 C ATOM 1267 CG ASN B 12 12.465 6.585 -6.001 1.00 0.00 C ATOM 1268 OD1 ASN B 12 13.192 5.954 -5.240 1.00 0.00 O ATOM 1269 ND2 ASN B 12 12.851 6.944 -7.185 1.00 0.00 N ATOM 0 H ASN B 12 8.777 7.611 -5.329 1.00 0.00 H new ATOM 0 HA ASN B 12 9.977 5.650 -6.829 1.00 0.00 H new ATOM 0 HB2 ASN B 12 10.835 7.941 -6.139 1.00 0.00 H new ATOM 0 HB3 ASN B 12 11.119 7.314 -4.527 1.00 0.00 H new ATOM 0 HD21 ASN B 12 13.787 6.703 -7.511 1.00 0.00 H new ATOM 0 HD22 ASN B 12 12.219 7.468 -7.790 1.00 0.00 H new ATOM 1276 N LYS B 13 10.132 4.987 -3.611 1.00 0.00 N ATOM 1277 CA LYS B 13 10.426 3.973 -2.618 1.00 0.00 C ATOM 1278 C LYS B 13 9.369 2.864 -2.649 1.00 0.00 C ATOM 1279 O LYS B 13 9.690 1.678 -2.501 1.00 0.00 O ATOM 1280 CB LYS B 13 10.491 4.633 -1.247 1.00 0.00 C ATOM 1281 CG LYS B 13 11.140 3.796 -0.165 1.00 0.00 C ATOM 1282 CD LYS B 13 12.595 3.466 -0.486 1.00 0.00 C ATOM 1283 CE LYS B 13 13.457 4.703 -0.695 1.00 0.00 C ATOM 1284 NZ LYS B 13 14.872 4.343 -0.927 1.00 0.00 N ATOM 0 H LYS B 13 9.817 5.872 -3.214 1.00 0.00 H new ATOM 0 HA LYS B 13 11.388 3.510 -2.838 1.00 0.00 H new ATOM 0 HB2 LYS B 13 11.039 5.571 -1.337 1.00 0.00 H new ATOM 0 HB3 LYS B 13 9.478 4.884 -0.933 1.00 0.00 H new ATOM 0 HG2 LYS B 13 11.091 4.331 0.784 1.00 0.00 H new ATOM 0 HG3 LYS B 13 10.579 2.870 -0.038 1.00 0.00 H new ATOM 0 HD2 LYS B 13 13.014 2.872 0.326 1.00 0.00 H new ATOM 0 HD3 LYS B 13 12.632 2.849 -1.384 1.00 0.00 H new ATOM 0 HE2 LYS B 13 13.081 5.271 -1.546 1.00 0.00 H new ATOM 0 HE3 LYS B 13 13.384 5.351 0.178 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 15.432 5.208 -1.066 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 15.237 3.822 -0.104 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 14.944 3.745 -1.775 1.00 0.00 H new ATOM 1298 N LYS B 14 8.121 3.265 -2.859 1.00 0.00 N ATOM 1299 CA LYS B 14 6.994 2.347 -3.010 1.00 0.00 C ATOM 1300 C LYS B 14 7.284 1.377 -4.156 1.00 0.00 C ATOM 1301 O LYS B 14 7.190 0.167 -4.006 1.00 0.00 O ATOM 1302 CB LYS B 14 5.734 3.164 -3.334 1.00 0.00 C ATOM 1303 CG LYS B 14 4.473 2.355 -3.602 1.00 0.00 C ATOM 1304 CD LYS B 14 3.301 3.254 -4.007 1.00 0.00 C ATOM 1305 CE LYS B 14 3.541 3.941 -5.336 1.00 0.00 C ATOM 1306 NZ LYS B 14 2.441 4.861 -5.691 1.00 0.00 N ATOM 0 H LYS B 14 7.858 4.248 -2.930 1.00 0.00 H new ATOM 0 HA LYS B 14 6.843 1.783 -2.090 1.00 0.00 H new ATOM 0 HB2 LYS B 14 5.539 3.841 -2.503 1.00 0.00 H new ATOM 0 HB3 LYS B 14 5.939 3.782 -4.208 1.00 0.00 H new ATOM 0 HG2 LYS B 14 4.666 1.630 -4.393 1.00 0.00 H new ATOM 0 HG3 LYS B 14 4.207 1.789 -2.709 1.00 0.00 H new ATOM 0 HD2 LYS B 14 2.391 2.657 -4.067 1.00 0.00 H new ATOM 0 HD3 LYS B 14 3.138 4.006 -3.235 1.00 0.00 H new ATOM 0 HE2 LYS B 14 4.478 4.496 -5.293 1.00 0.00 H new ATOM 0 HE3 LYS B 14 3.651 3.189 -6.118 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 2.744 5.480 -6.470 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 1.610 4.310 -5.988 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 2.194 5.442 -4.864 1.00 0.00 H new ATOM 1320 N LYS B 15 7.674 1.945 -5.278 1.00 0.00 N ATOM 1321 CA LYS B 15 8.011 1.204 -6.486 1.00 0.00 C ATOM 1322 C LYS B 15 9.172 0.250 -6.244 1.00 0.00 C ATOM 1323 O LYS B 15 9.146 -0.893 -6.710 1.00 0.00 O ATOM 1324 CB LYS B 15 8.309 2.172 -7.633 1.00 0.00 C ATOM 1325 CG LYS B 15 7.100 3.005 -8.053 1.00 0.00 C ATOM 1326 CD LYS B 15 7.475 4.149 -8.999 1.00 0.00 C ATOM 1327 CE LYS B 15 7.994 3.667 -10.350 1.00 0.00 C ATOM 1328 NZ LYS B 15 6.961 2.942 -11.127 1.00 0.00 N ATOM 0 H LYS B 15 7.769 2.955 -5.383 1.00 0.00 H new ATOM 0 HA LYS B 15 7.152 0.595 -6.768 1.00 0.00 H new ATOM 0 HB2 LYS B 15 9.116 2.841 -7.334 1.00 0.00 H new ATOM 0 HB3 LYS B 15 8.667 1.606 -8.493 1.00 0.00 H new ATOM 0 HG2 LYS B 15 6.370 2.359 -8.541 1.00 0.00 H new ATOM 0 HG3 LYS B 15 6.619 3.415 -7.165 1.00 0.00 H new ATOM 0 HD2 LYS B 15 6.602 4.782 -9.157 1.00 0.00 H new ATOM 0 HD3 LYS B 15 8.236 4.769 -8.525 1.00 0.00 H new ATOM 0 HE2 LYS B 15 8.345 4.522 -10.927 1.00 0.00 H new ATOM 0 HE3 LYS B 15 8.852 3.014 -10.194 1.00 0.00 H new ATOM 0 HZ1 LYS B 15 7.316 2.754 -12.086 1.00 0.00 H new ATOM 0 HZ2 LYS B 15 6.741 2.041 -10.656 1.00 0.00 H new ATOM 0 HZ3 LYS B 15 6.099 3.522 -11.185 1.00 0.00 H new ATOM 1342 N GLU B 16 10.172 0.706 -5.482 1.00 0.00 N ATOM 1343 CA GLU B 16 11.303 -0.139 -5.107 1.00 0.00 C ATOM 1344 C GLU B 16 10.822 -1.384 -4.366 1.00 0.00 C ATOM 1345 O GLU B 16 11.315 -2.506 -4.598 1.00 0.00 O ATOM 1346 CB GLU B 16 12.299 0.598 -4.213 1.00 0.00 C ATOM 1347 CG GLU B 16 13.149 1.643 -4.875 1.00 0.00 C ATOM 1348 CD GLU B 16 14.255 2.077 -3.950 1.00 0.00 C ATOM 1349 OE1 GLU B 16 15.180 1.269 -3.696 1.00 0.00 O ATOM 1350 OE2 GLU B 16 14.247 3.214 -3.452 1.00 0.00 O ATOM 0 H GLU B 16 10.218 1.656 -5.114 1.00 0.00 H new ATOM 0 HA GLU B 16 11.802 -0.419 -6.035 1.00 0.00 H new ATOM 0 HB2 GLU B 16 11.744 1.072 -3.403 1.00 0.00 H new ATOM 0 HB3 GLU B 16 12.959 -0.140 -3.757 1.00 0.00 H new ATOM 0 HG2 GLU B 16 13.572 1.247 -5.798 1.00 0.00 H new ATOM 0 HG3 GLU B 16 12.536 2.502 -5.148 1.00 0.00 H new ATOM 1357 N LEU B 17 9.861 -1.175 -3.493 1.00 0.00 N ATOM 1358 CA LEU B 17 9.284 -2.225 -2.692 1.00 0.00 C ATOM 1359 C LEU B 17 8.515 -3.199 -3.555 1.00 0.00 C ATOM 1360 O LEU B 17 8.637 -4.412 -3.391 1.00 0.00 O ATOM 1361 CB LEU B 17 8.326 -1.641 -1.685 1.00 0.00 C ATOM 1362 CG LEU B 17 7.503 -2.663 -0.945 1.00 0.00 C ATOM 1363 CD1 LEU B 17 8.229 -3.306 0.163 1.00 0.00 C ATOM 1364 CD2 LEU B 17 6.157 -2.153 -0.595 1.00 0.00 C ATOM 0 H LEU B 17 9.454 -0.256 -3.319 1.00 0.00 H new ATOM 0 HA LEU B 17 10.100 -2.743 -2.188 1.00 0.00 H new ATOM 0 HB2 LEU B 17 8.892 -1.054 -0.961 1.00 0.00 H new ATOM 0 HB3 LEU B 17 7.654 -0.953 -2.197 1.00 0.00 H new ATOM 0 HG LEU B 17 7.320 -3.482 -1.640 1.00 0.00 H new ATOM 0 HD11 LEU B 17 7.578 -4.030 0.653 1.00 0.00 H new ATOM 0 HD12 LEU B 17 9.110 -3.815 -0.227 1.00 0.00 H new ATOM 0 HD13 LEU B 17 8.537 -2.549 0.884 1.00 0.00 H new ATOM 0 HD21 LEU B 17 5.602 -2.926 -0.063 1.00 0.00 H new ATOM 0 HD22 LEU B 17 6.255 -1.274 0.042 1.00 0.00 H new ATOM 0 HD23 LEU B 17 5.622 -1.884 -1.506 1.00 0.00 H new ATOM 1376 N ILE B 18 7.722 -2.658 -4.463 1.00 0.00 N ATOM 1377 CA ILE B 18 6.884 -3.457 -5.343 1.00 0.00 C ATOM 1378 C ILE B 18 7.738 -4.443 -6.127 1.00 0.00 C ATOM 1379 O ILE B 18 7.415 -5.617 -6.218 1.00 0.00 O ATOM 1380 CB ILE B 18 6.073 -2.577 -6.327 1.00 0.00 C ATOM 1381 CG1 ILE B 18 5.213 -1.572 -5.562 1.00 0.00 C ATOM 1382 CG2 ILE B 18 5.189 -3.458 -7.202 1.00 0.00 C ATOM 1383 CD1 ILE B 18 4.537 -0.542 -6.440 1.00 0.00 C ATOM 0 H ILE B 18 7.640 -1.652 -4.612 1.00 0.00 H new ATOM 0 HA ILE B 18 6.176 -3.998 -4.715 1.00 0.00 H new ATOM 0 HB ILE B 18 6.770 -2.027 -6.959 1.00 0.00 H new ATOM 0 HG12 ILE B 18 4.450 -2.114 -5.003 1.00 0.00 H new ATOM 0 HG13 ILE B 18 5.838 -1.057 -4.832 1.00 0.00 H new ATOM 0 HG21 ILE B 18 4.621 -2.833 -7.892 1.00 0.00 H new ATOM 0 HG22 ILE B 18 5.812 -4.150 -7.768 1.00 0.00 H new ATOM 0 HG23 ILE B 18 4.500 -4.022 -6.573 1.00 0.00 H new ATOM 0 HD11 ILE B 18 3.946 0.133 -5.820 1.00 0.00 H new ATOM 0 HD12 ILE B 18 5.293 0.029 -6.979 1.00 0.00 H new ATOM 0 HD13 ILE B 18 3.884 -1.044 -7.154 1.00 0.00 H new ATOM 1395 N GLN B 19 8.859 -3.961 -6.632 1.00 0.00 N ATOM 1396 CA GLN B 19 9.796 -4.785 -7.376 1.00 0.00 C ATOM 1397 C GLN B 19 10.352 -5.912 -6.506 1.00 0.00 C ATOM 1398 O GLN B 19 10.693 -6.993 -7.002 1.00 0.00 O ATOM 1399 CB GLN B 19 10.929 -3.929 -7.905 1.00 0.00 C ATOM 1400 CG GLN B 19 10.483 -2.856 -8.872 1.00 0.00 C ATOM 1401 CD GLN B 19 11.633 -2.015 -9.330 1.00 0.00 C ATOM 1402 OE1 GLN B 19 11.966 -1.009 -8.708 1.00 0.00 O ATOM 1403 NE2 GLN B 19 12.236 -2.394 -10.411 1.00 0.00 N ATOM 0 H GLN B 19 9.146 -2.987 -6.538 1.00 0.00 H new ATOM 0 HA GLN B 19 9.263 -5.236 -8.213 1.00 0.00 H new ATOM 0 HB2 GLN B 19 11.439 -3.458 -7.065 1.00 0.00 H new ATOM 0 HB3 GLN B 19 11.657 -4.572 -8.400 1.00 0.00 H new ATOM 0 HG2 GLN B 19 10.004 -3.319 -9.735 1.00 0.00 H new ATOM 0 HG3 GLN B 19 9.736 -2.222 -8.394 1.00 0.00 H new ATOM 0 HE21 GLN B 19 11.929 -3.236 -10.898 1.00 0.00 H new ATOM 0 HE22 GLN B 19 13.019 -1.851 -10.776 1.00 0.00 H new ATOM 1412 N LEU B 20 10.421 -5.672 -5.216 1.00 0.00 N ATOM 1413 CA LEU B 20 10.915 -6.665 -4.286 1.00 0.00 C ATOM 1414 C LEU B 20 9.853 -7.724 -3.997 1.00 0.00 C ATOM 1415 O LEU B 20 10.148 -8.923 -4.057 1.00 0.00 O ATOM 1416 CB LEU B 20 11.432 -6.021 -2.998 1.00 0.00 C ATOM 1417 CG LEU B 20 12.624 -5.068 -3.146 1.00 0.00 C ATOM 1418 CD1 LEU B 20 12.979 -4.456 -1.809 1.00 0.00 C ATOM 1419 CD2 LEU B 20 13.829 -5.791 -3.723 1.00 0.00 C ATOM 0 H LEU B 20 10.139 -4.792 -4.784 1.00 0.00 H new ATOM 0 HA LEU B 20 11.761 -7.166 -4.756 1.00 0.00 H new ATOM 0 HB2 LEU B 20 10.611 -5.473 -2.536 1.00 0.00 H new ATOM 0 HB3 LEU B 20 11.713 -6.816 -2.307 1.00 0.00 H new ATOM 0 HG LEU B 20 12.337 -4.273 -3.835 1.00 0.00 H new ATOM 0 HD11 LEU B 20 13.827 -3.782 -1.931 1.00 0.00 H new ATOM 0 HD12 LEU B 20 12.124 -3.898 -1.426 1.00 0.00 H new ATOM 0 HD13 LEU B 20 13.242 -5.246 -1.105 1.00 0.00 H new ATOM 0 HD21 LEU B 20 14.661 -5.093 -3.818 1.00 0.00 H new ATOM 0 HD22 LEU B 20 14.115 -6.608 -3.061 1.00 0.00 H new ATOM 0 HD23 LEU B 20 13.577 -6.191 -4.705 1.00 0.00 H new ATOM 1431 N VAL B 21 8.613 -7.305 -3.704 1.00 0.00 N ATOM 1432 CA VAL B 21 7.555 -8.256 -3.471 1.00 0.00 C ATOM 1433 C VAL B 21 7.244 -9.046 -4.778 1.00 0.00 C ATOM 1434 O VAL B 21 6.810 -10.194 -4.745 1.00 0.00 O ATOM 1435 CB VAL B 21 6.279 -7.552 -2.926 1.00 0.00 C ATOM 1436 CG1 VAL B 21 6.606 -6.531 -1.870 1.00 0.00 C ATOM 1437 CG2 VAL B 21 5.430 -6.952 -4.001 1.00 0.00 C ATOM 0 H VAL B 21 8.336 -6.326 -3.627 1.00 0.00 H new ATOM 0 HA VAL B 21 7.889 -8.963 -2.712 1.00 0.00 H new ATOM 0 HB VAL B 21 5.687 -8.342 -2.463 1.00 0.00 H new ATOM 0 HG11 VAL B 21 5.686 -6.064 -1.518 1.00 0.00 H new ATOM 0 HG12 VAL B 21 7.108 -7.019 -1.035 1.00 0.00 H new ATOM 0 HG13 VAL B 21 7.261 -5.769 -2.291 1.00 0.00 H new ATOM 0 HG21 VAL B 21 4.557 -6.477 -3.553 1.00 0.00 H new ATOM 0 HG22 VAL B 21 6.008 -6.207 -4.548 1.00 0.00 H new ATOM 0 HG23 VAL B 21 5.105 -7.734 -4.687 1.00 0.00 H new ATOM 1447 N ALA B 22 7.509 -8.412 -5.917 1.00 0.00 N ATOM 1448 CA ALA B 22 7.314 -9.008 -7.214 1.00 0.00 C ATOM 1449 C ALA B 22 8.305 -10.131 -7.456 1.00 0.00 C ATOM 1450 O ALA B 22 7.923 -11.230 -7.860 1.00 0.00 O ATOM 1451 CB ALA B 22 7.415 -7.954 -8.302 1.00 0.00 C ATOM 0 H ALA B 22 7.869 -7.458 -5.954 1.00 0.00 H new ATOM 0 HA ALA B 22 6.313 -9.439 -7.242 1.00 0.00 H new ATOM 0 HB1 ALA B 22 7.265 -8.421 -9.276 1.00 0.00 H new ATOM 0 HB2 ALA B 22 6.651 -7.193 -8.143 1.00 0.00 H new ATOM 0 HB3 ALA B 22 8.401 -7.491 -8.269 1.00 0.00 H new ATOM 1457 N ARG B 23 9.575 -9.887 -7.137 1.00 0.00 N ATOM 1458 CA ARG B 23 10.625 -10.887 -7.355 1.00 0.00 C ATOM 1459 C ARG B 23 10.561 -12.009 -6.315 1.00 0.00 C ATOM 1460 O ARG B 23 11.369 -12.951 -6.331 1.00 0.00 O ATOM 1461 CB ARG B 23 12.009 -10.239 -7.418 1.00 0.00 C ATOM 1462 CG ARG B 23 12.468 -9.583 -6.138 1.00 0.00 C ATOM 1463 CD ARG B 23 13.699 -8.734 -6.384 1.00 0.00 C ATOM 1464 NE ARG B 23 13.416 -7.674 -7.368 1.00 0.00 N ATOM 1465 CZ ARG B 23 14.330 -7.040 -8.112 1.00 0.00 C ATOM 1466 NH1 ARG B 23 15.625 -7.283 -7.934 1.00 0.00 N ATOM 1467 NH2 ARG B 23 13.943 -6.155 -9.022 1.00 0.00 N ATOM 0 H ARG B 23 9.903 -9.012 -6.729 1.00 0.00 H new ATOM 0 HA ARG B 23 10.444 -11.347 -8.326 1.00 0.00 H new ATOM 0 HB2 ARG B 23 12.737 -11.000 -7.699 1.00 0.00 H new ATOM 0 HB3 ARG B 23 12.007 -9.491 -8.211 1.00 0.00 H new ATOM 0 HG2 ARG B 23 11.668 -8.964 -5.733 1.00 0.00 H new ATOM 0 HG3 ARG B 23 12.689 -10.346 -5.391 1.00 0.00 H new ATOM 0 HD2 ARG B 23 14.031 -8.287 -5.447 1.00 0.00 H new ATOM 0 HD3 ARG B 23 14.514 -9.362 -6.744 1.00 0.00 H new ATOM 0 HE ARG B 23 12.441 -7.401 -7.492 1.00 0.00 H new ATOM 0 HH11 ARG B 23 15.925 -7.955 -7.228 1.00 0.00 H new ATOM 0 HH12 ARG B 23 16.318 -6.797 -8.503 1.00 0.00 H new ATOM 0 HH21 ARG B 23 12.951 -5.959 -9.153 1.00 0.00 H new ATOM 0 HH22 ARG B 23 14.638 -5.671 -9.590 1.00 0.00 H new ATOM 1481 N HIS B 24 9.614 -11.889 -5.405 1.00 0.00 N ATOM 1482 CA HIS B 24 9.317 -12.944 -4.466 1.00 0.00 C ATOM 1483 C HIS B 24 8.612 -14.112 -5.196 1.00 0.00 C ATOM 1484 O HIS B 24 8.747 -15.276 -4.806 1.00 0.00 O ATOM 1485 CB HIS B 24 8.443 -12.411 -3.301 1.00 0.00 C ATOM 1486 CG HIS B 24 8.016 -13.471 -2.316 1.00 0.00 C ATOM 1487 ND1 HIS B 24 6.924 -14.291 -2.478 1.00 0.00 N ATOM 1488 CD2 HIS B 24 8.592 -13.860 -1.165 1.00 0.00 C ATOM 1489 CE1 HIS B 24 6.892 -15.132 -1.447 1.00 0.00 C ATOM 1490 NE2 HIS B 24 7.883 -14.914 -0.621 1.00 0.00 N ATOM 0 H HIS B 24 9.032 -11.058 -5.299 1.00 0.00 H new ATOM 0 HA HIS B 24 10.251 -13.311 -4.040 1.00 0.00 H new ATOM 0 HB2 HIS B 24 8.998 -11.638 -2.769 1.00 0.00 H new ATOM 0 HB3 HIS B 24 7.554 -11.936 -3.716 1.00 0.00 H new ATOM 0 HD2 HIS B 24 9.476 -13.416 -0.731 1.00 0.00 H new ATOM 0 HE1 HIS B 24 6.143 -15.898 -1.310 1.00 0.00 H new ATOM 0 HE2 HIS B 24 8.089 -15.416 0.243 1.00 0.00 H new ATOM 1498 N GLY B 25 7.884 -13.808 -6.263 1.00 0.00 N ATOM 1499 CA GLY B 25 7.196 -14.871 -6.978 1.00 0.00 C ATOM 1500 C GLY B 25 5.913 -14.436 -7.641 1.00 0.00 C ATOM 1501 O GLY B 25 5.300 -15.213 -8.375 1.00 0.00 O ATOM 0 H GLY B 25 7.757 -12.869 -6.641 1.00 0.00 H new ATOM 0 HA2 GLY B 25 7.865 -15.276 -7.737 1.00 0.00 H new ATOM 0 HA3 GLY B 25 6.976 -15.680 -6.281 1.00 0.00 H new ATOM 1505 N LEU B 26 5.486 -13.223 -7.361 1.00 0.00 N ATOM 1506 CA LEU B 26 4.314 -12.653 -7.950 1.00 0.00 C ATOM 1507 C LEU B 26 4.341 -12.625 -9.467 1.00 0.00 C ATOM 1508 O LEU B 26 5.385 -12.407 -10.098 1.00 0.00 O ATOM 1509 CB LEU B 26 4.099 -11.253 -7.406 1.00 0.00 C ATOM 1510 CG LEU B 26 3.341 -11.147 -6.097 1.00 0.00 C ATOM 1511 CD1 LEU B 26 3.967 -11.915 -4.975 1.00 0.00 C ATOM 1512 CD2 LEU B 26 3.076 -9.705 -5.735 1.00 0.00 C ATOM 0 H LEU B 26 5.959 -12.602 -6.705 1.00 0.00 H new ATOM 0 HA LEU B 26 3.482 -13.302 -7.676 1.00 0.00 H new ATOM 0 HB2 LEU B 26 5.074 -10.784 -7.275 1.00 0.00 H new ATOM 0 HB3 LEU B 26 3.565 -10.673 -8.158 1.00 0.00 H new ATOM 0 HG LEU B 26 2.377 -11.630 -6.261 1.00 0.00 H new ATOM 0 HD11 LEU B 26 3.369 -11.792 -4.072 1.00 0.00 H new ATOM 0 HD12 LEU B 26 4.013 -12.972 -5.238 1.00 0.00 H new ATOM 0 HD13 LEU B 26 4.975 -11.542 -4.797 1.00 0.00 H new ATOM 0 HD21 LEU B 26 2.531 -9.661 -4.792 1.00 0.00 H new ATOM 0 HD22 LEU B 26 4.023 -9.176 -5.632 1.00 0.00 H new ATOM 0 HD23 LEU B 26 2.482 -9.236 -6.520 1.00 0.00 H new ATOM 1524 N ASP B 27 3.189 -12.889 -10.031 1.00 0.00 N ATOM 1525 CA ASP B 27 2.946 -12.794 -11.463 1.00 0.00 C ATOM 1526 C ASP B 27 2.835 -11.321 -11.786 1.00 0.00 C ATOM 1527 O ASP B 27 2.802 -10.494 -10.875 1.00 0.00 O ATOM 1528 CB ASP B 27 1.596 -13.427 -11.842 1.00 0.00 C ATOM 1529 CG ASP B 27 1.364 -14.808 -11.301 1.00 0.00 C ATOM 1530 OD1 ASP B 27 0.935 -14.930 -10.131 1.00 0.00 O ATOM 1531 OD2 ASP B 27 1.559 -15.795 -12.023 1.00 0.00 O ATOM 0 H ASP B 27 2.369 -13.184 -9.501 1.00 0.00 H new ATOM 0 HA ASP B 27 3.748 -13.303 -11.999 1.00 0.00 H new ATOM 0 HB2 ASP B 27 0.796 -12.776 -11.489 1.00 0.00 H new ATOM 0 HB3 ASP B 27 1.522 -13.463 -12.929 1.00 0.00 H new ATOM 1536 N HIS B 28 2.693 -10.984 -13.037 1.00 0.00 N ATOM 1537 CA HIS B 28 2.604 -9.578 -13.415 1.00 0.00 C ATOM 1538 C HIS B 28 1.301 -8.954 -12.923 1.00 0.00 C ATOM 1539 O HIS B 28 1.303 -7.831 -12.427 1.00 0.00 O ATOM 1540 CB HIS B 28 2.812 -9.360 -14.921 1.00 0.00 C ATOM 1541 CG HIS B 28 4.177 -9.771 -15.411 1.00 0.00 C ATOM 1542 ND1 HIS B 28 4.494 -9.981 -16.733 1.00 0.00 N ATOM 1543 CD2 HIS B 28 5.322 -10.006 -14.717 1.00 0.00 C ATOM 1544 CE1 HIS B 28 5.780 -10.329 -16.802 1.00 0.00 C ATOM 1545 NE2 HIS B 28 6.331 -10.360 -15.603 1.00 0.00 N ATOM 0 H HIS B 28 2.636 -11.644 -13.812 1.00 0.00 H new ATOM 0 HA HIS B 28 3.425 -9.062 -12.917 1.00 0.00 H new ATOM 0 HB2 HIS B 28 2.055 -9.922 -15.468 1.00 0.00 H new ATOM 0 HB3 HIS B 28 2.655 -8.306 -15.151 1.00 0.00 H new ATOM 0 HD2 HIS B 28 5.430 -9.929 -13.645 1.00 0.00 H new ATOM 0 HE1 HIS B 28 6.302 -10.556 -17.720 1.00 0.00 H new ATOM 0 HE2 HIS B 28 7.297 -10.595 -15.375 1.00 0.00 H new ATOM 1553 N ASP B 29 0.203 -9.713 -12.993 1.00 0.00 N ATOM 1554 CA ASP B 29 -1.097 -9.226 -12.500 1.00 0.00 C ATOM 1555 C ASP B 29 -1.076 -9.074 -11.011 1.00 0.00 C ATOM 1556 O ASP B 29 -1.720 -8.193 -10.470 1.00 0.00 O ATOM 1557 CB ASP B 29 -2.270 -10.111 -12.913 1.00 0.00 C ATOM 1558 CG ASP B 29 -2.646 -9.988 -14.365 1.00 0.00 C ATOM 1559 OD1 ASP B 29 -1.919 -10.504 -15.228 1.00 0.00 O ATOM 1560 OD2 ASP B 29 -3.707 -9.417 -14.665 1.00 0.00 O ATOM 0 H ASP B 29 0.183 -10.656 -13.381 1.00 0.00 H new ATOM 0 HA ASP B 29 -1.251 -8.254 -12.968 1.00 0.00 H new ATOM 0 HB2 ASP B 29 -2.021 -11.150 -12.699 1.00 0.00 H new ATOM 0 HB3 ASP B 29 -3.136 -9.858 -12.301 1.00 0.00 H new ATOM 1565 N LYS B 30 -0.311 -9.927 -10.348 1.00 0.00 N ATOM 1566 CA LYS B 30 -0.125 -9.833 -8.906 1.00 0.00 C ATOM 1567 C LYS B 30 0.479 -8.486 -8.576 1.00 0.00 C ATOM 1568 O LYS B 30 0.015 -7.794 -7.686 1.00 0.00 O ATOM 1569 CB LYS B 30 0.829 -10.899 -8.425 1.00 0.00 C ATOM 1570 CG LYS B 30 0.339 -12.319 -8.486 1.00 0.00 C ATOM 1571 CD LYS B 30 -0.589 -12.668 -7.357 1.00 0.00 C ATOM 1572 CE LYS B 30 -1.036 -14.126 -7.452 1.00 0.00 C ATOM 1573 NZ LYS B 30 -1.455 -14.510 -8.833 1.00 0.00 N ATOM 0 H LYS B 30 0.194 -10.697 -10.787 1.00 0.00 H new ATOM 0 HA LYS B 30 -1.093 -9.961 -8.421 1.00 0.00 H new ATOM 0 HB2 LYS B 30 1.743 -10.829 -9.014 1.00 0.00 H new ATOM 0 HB3 LYS B 30 1.097 -10.675 -7.392 1.00 0.00 H new ATOM 0 HG2 LYS B 30 -0.174 -12.480 -9.434 1.00 0.00 H new ATOM 0 HG3 LYS B 30 1.195 -12.994 -8.468 1.00 0.00 H new ATOM 0 HD2 LYS B 30 -0.089 -12.498 -6.404 1.00 0.00 H new ATOM 0 HD3 LYS B 30 -1.460 -12.014 -7.381 1.00 0.00 H new ATOM 0 HE2 LYS B 30 -0.220 -14.774 -7.131 1.00 0.00 H new ATOM 0 HE3 LYS B 30 -1.866 -14.293 -6.765 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 -1.951 -15.424 -8.804 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 -2.092 -13.783 -9.217 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 -0.615 -14.591 -9.441 1.00 0.00 H new ATOM 1587 N VAL B 31 1.497 -8.117 -9.352 1.00 0.00 N ATOM 1588 CA VAL B 31 2.196 -6.857 -9.188 1.00 0.00 C ATOM 1589 C VAL B 31 1.228 -5.707 -9.429 1.00 0.00 C ATOM 1590 O VAL B 31 1.187 -4.756 -8.665 1.00 0.00 O ATOM 1591 CB VAL B 31 3.410 -6.755 -10.161 1.00 0.00 C ATOM 1592 CG1 VAL B 31 4.157 -5.444 -10.000 1.00 0.00 C ATOM 1593 CG2 VAL B 31 4.349 -7.922 -9.956 1.00 0.00 C ATOM 0 H VAL B 31 1.857 -8.691 -10.114 1.00 0.00 H new ATOM 0 HA VAL B 31 2.582 -6.802 -8.170 1.00 0.00 H new ATOM 0 HB VAL B 31 3.017 -6.786 -11.177 1.00 0.00 H new ATOM 0 HG11 VAL B 31 4.995 -5.415 -10.697 1.00 0.00 H new ATOM 0 HG12 VAL B 31 3.483 -4.613 -10.208 1.00 0.00 H new ATOM 0 HG13 VAL B 31 4.531 -5.361 -8.979 1.00 0.00 H new ATOM 0 HG21 VAL B 31 5.191 -7.836 -10.643 1.00 0.00 H new ATOM 0 HG22 VAL B 31 4.716 -7.918 -8.930 1.00 0.00 H new ATOM 0 HG23 VAL B 31 3.818 -8.854 -10.148 1.00 0.00 H new ATOM 1603 N LEU B 32 0.429 -5.835 -10.470 1.00 0.00 N ATOM 1604 CA LEU B 32 -0.580 -4.841 -10.831 1.00 0.00 C ATOM 1605 C LEU B 32 -1.609 -4.659 -9.725 1.00 0.00 C ATOM 1606 O LEU B 32 -1.842 -3.542 -9.257 1.00 0.00 O ATOM 1607 CB LEU B 32 -1.277 -5.258 -12.116 1.00 0.00 C ATOM 1608 CG LEU B 32 -0.374 -5.384 -13.332 1.00 0.00 C ATOM 1609 CD1 LEU B 32 -1.154 -5.876 -14.526 1.00 0.00 C ATOM 1610 CD2 LEU B 32 0.302 -4.060 -13.630 1.00 0.00 C ATOM 0 H LEU B 32 0.457 -6.637 -11.099 1.00 0.00 H new ATOM 0 HA LEU B 32 -0.072 -3.888 -10.978 1.00 0.00 H new ATOM 0 HB2 LEU B 32 -1.770 -6.216 -11.949 1.00 0.00 H new ATOM 0 HB3 LEU B 32 -2.059 -4.532 -12.338 1.00 0.00 H new ATOM 0 HG LEU B 32 0.401 -6.118 -13.113 1.00 0.00 H new ATOM 0 HD11 LEU B 32 -0.489 -5.959 -15.386 1.00 0.00 H new ATOM 0 HD12 LEU B 32 -1.583 -6.853 -14.303 1.00 0.00 H new ATOM 0 HD13 LEU B 32 -1.954 -5.172 -14.753 1.00 0.00 H new ATOM 0 HD21 LEU B 32 0.945 -4.168 -14.504 1.00 0.00 H new ATOM 0 HD22 LEU B 32 -0.455 -3.301 -13.828 1.00 0.00 H new ATOM 0 HD23 LEU B 32 0.903 -3.757 -12.773 1.00 0.00 H new ATOM 1622 N LEU B 33 -2.194 -5.757 -9.291 1.00 0.00 N ATOM 1623 CA LEU B 33 -3.216 -5.734 -8.260 1.00 0.00 C ATOM 1624 C LEU B 33 -2.657 -5.233 -6.950 1.00 0.00 C ATOM 1625 O LEU B 33 -3.323 -4.479 -6.239 1.00 0.00 O ATOM 1626 CB LEU B 33 -3.828 -7.114 -8.063 1.00 0.00 C ATOM 1627 CG LEU B 33 -4.545 -7.726 -9.269 1.00 0.00 C ATOM 1628 CD1 LEU B 33 -4.984 -9.142 -8.955 1.00 0.00 C ATOM 1629 CD2 LEU B 33 -5.737 -6.874 -9.686 1.00 0.00 C ATOM 0 H LEU B 33 -1.976 -6.690 -9.641 1.00 0.00 H new ATOM 0 HA LEU B 33 -3.996 -5.049 -8.593 1.00 0.00 H new ATOM 0 HB2 LEU B 33 -3.036 -7.797 -7.755 1.00 0.00 H new ATOM 0 HB3 LEU B 33 -4.538 -7.057 -7.238 1.00 0.00 H new ATOM 0 HG LEU B 33 -3.846 -7.755 -10.105 1.00 0.00 H new ATOM 0 HD11 LEU B 33 -5.493 -9.566 -9.821 1.00 0.00 H new ATOM 0 HD12 LEU B 33 -4.111 -9.749 -8.714 1.00 0.00 H new ATOM 0 HD13 LEU B 33 -5.665 -9.132 -8.104 1.00 0.00 H new ATOM 0 HD21 LEU B 33 -6.228 -7.331 -10.545 1.00 0.00 H new ATOM 0 HD22 LEU B 33 -6.443 -6.805 -8.858 1.00 0.00 H new ATOM 0 HD23 LEU B 33 -5.394 -5.875 -9.954 1.00 0.00 H new ATOM 1641 N PHE B 34 -1.444 -5.646 -6.632 1.00 0.00 N ATOM 1642 CA PHE B 34 -0.788 -5.202 -5.428 1.00 0.00 C ATOM 1643 C PHE B 34 -0.476 -3.722 -5.493 1.00 0.00 C ATOM 1644 O PHE B 34 -0.875 -2.980 -4.615 1.00 0.00 O ATOM 1645 CB PHE B 34 0.490 -6.015 -5.140 1.00 0.00 C ATOM 1646 CG PHE B 34 1.328 -5.444 -4.026 1.00 0.00 C ATOM 1647 CD1 PHE B 34 0.908 -5.505 -2.710 1.00 0.00 C ATOM 1648 CD2 PHE B 34 2.535 -4.826 -4.308 1.00 0.00 C ATOM 1649 CE1 PHE B 34 1.672 -4.953 -1.704 1.00 0.00 C ATOM 1650 CE2 PHE B 34 3.299 -4.280 -3.309 1.00 0.00 C ATOM 1651 CZ PHE B 34 2.872 -4.342 -2.008 1.00 0.00 C ATOM 0 H PHE B 34 -0.895 -6.292 -7.198 1.00 0.00 H new ATOM 0 HA PHE B 34 -1.480 -5.372 -4.603 1.00 0.00 H new ATOM 0 HB2 PHE B 34 0.211 -7.038 -4.886 1.00 0.00 H new ATOM 0 HB3 PHE B 34 1.092 -6.065 -6.048 1.00 0.00 H new ATOM 0 HD1 PHE B 34 -0.027 -5.989 -2.468 1.00 0.00 H new ATOM 0 HD2 PHE B 34 2.880 -4.773 -5.330 1.00 0.00 H new ATOM 0 HE1 PHE B 34 1.332 -4.998 -0.680 1.00 0.00 H new ATOM 0 HE2 PHE B 34 4.237 -3.801 -3.547 1.00 0.00 H new ATOM 0 HZ PHE B 34 3.474 -3.913 -1.221 1.00 0.00 H new ATOM 1661 N SER B 35 0.191 -3.293 -6.556 1.00 0.00 N ATOM 1662 CA SER B 35 0.627 -1.916 -6.688 1.00 0.00 C ATOM 1663 C SER B 35 -0.535 -0.932 -6.638 1.00 0.00 C ATOM 1664 O SER B 35 -0.426 0.111 -6.009 1.00 0.00 O ATOM 1665 CB SER B 35 1.476 -1.722 -7.953 1.00 0.00 C ATOM 1666 OG SER B 35 0.784 -2.159 -9.107 1.00 0.00 O ATOM 0 H SER B 35 0.442 -3.889 -7.345 1.00 0.00 H new ATOM 0 HA SER B 35 1.256 -1.698 -5.825 1.00 0.00 H new ATOM 0 HB2 SER B 35 1.738 -0.669 -8.060 1.00 0.00 H new ATOM 0 HB3 SER B 35 2.410 -2.275 -7.855 1.00 0.00 H new ATOM 0 HG SER B 35 1.016 -3.093 -9.294 1.00 0.00 H new ATOM 1672 N ARG B 36 -1.653 -1.277 -7.257 1.00 0.00 N ATOM 1673 CA ARG B 36 -2.803 -0.392 -7.253 1.00 0.00 C ATOM 1674 C ARG B 36 -3.495 -0.366 -5.884 1.00 0.00 C ATOM 1675 O ARG B 36 -3.930 0.690 -5.427 1.00 0.00 O ATOM 1676 CB ARG B 36 -3.781 -0.721 -8.395 1.00 0.00 C ATOM 1677 CG ARG B 36 -4.480 -2.063 -8.296 1.00 0.00 C ATOM 1678 CD ARG B 36 -5.222 -2.386 -9.579 1.00 0.00 C ATOM 1679 NE ARG B 36 -6.202 -1.354 -9.945 1.00 0.00 N ATOM 1680 CZ ARG B 36 -6.636 -1.121 -11.198 1.00 0.00 C ATOM 1681 NH1 ARG B 36 -6.245 -1.905 -12.207 1.00 0.00 N ATOM 1682 NH2 ARG B 36 -7.470 -0.122 -11.433 1.00 0.00 N ATOM 0 H ARG B 36 -1.787 -2.153 -7.762 1.00 0.00 H new ATOM 0 HA ARG B 36 -2.435 0.617 -7.438 1.00 0.00 H new ATOM 0 HB2 ARG B 36 -4.539 0.061 -8.436 1.00 0.00 H new ATOM 0 HB3 ARG B 36 -3.235 -0.685 -9.338 1.00 0.00 H new ATOM 0 HG2 ARG B 36 -3.748 -2.844 -8.089 1.00 0.00 H new ATOM 0 HG3 ARG B 36 -5.180 -2.052 -7.460 1.00 0.00 H new ATOM 0 HD2 ARG B 36 -4.503 -2.502 -10.390 1.00 0.00 H new ATOM 0 HD3 ARG B 36 -5.733 -3.342 -9.467 1.00 0.00 H new ATOM 0 HE ARG B 36 -6.580 -0.773 -9.197 1.00 0.00 H new ATOM 0 HH11 ARG B 36 -5.613 -2.686 -12.031 1.00 0.00 H new ATOM 0 HH12 ARG B 36 -6.578 -1.722 -13.154 1.00 0.00 H new ATOM 0 HH21 ARG B 36 -7.784 0.472 -10.665 1.00 0.00 H new ATOM 0 HH22 ARG B 36 -7.799 0.055 -12.382 1.00 0.00 H new ATOM 1696 N ASP B 37 -3.547 -1.517 -5.215 1.00 0.00 N ATOM 1697 CA ASP B 37 -4.180 -1.633 -3.877 1.00 0.00 C ATOM 1698 C ASP B 37 -3.301 -0.874 -2.875 1.00 0.00 C ATOM 1699 O ASP B 37 -3.783 -0.144 -2.000 1.00 0.00 O ATOM 1700 CB ASP B 37 -4.238 -3.118 -3.488 1.00 0.00 C ATOM 1701 CG ASP B 37 -5.345 -3.490 -2.513 1.00 0.00 C ATOM 1702 OD1 ASP B 37 -5.381 -2.999 -1.389 1.00 0.00 O ATOM 1703 OD2 ASP B 37 -6.199 -4.352 -2.889 1.00 0.00 O ATOM 0 H ASP B 37 -3.160 -2.392 -5.569 1.00 0.00 H new ATOM 0 HA ASP B 37 -5.189 -1.220 -3.883 1.00 0.00 H new ATOM 0 HB2 ASP B 37 -4.361 -3.710 -4.395 1.00 0.00 H new ATOM 0 HB3 ASP B 37 -3.280 -3.400 -3.050 1.00 0.00 H new ATOM 1708 N LEU B 38 -2.001 -1.044 -3.056 1.00 0.00 N ATOM 1709 CA LEU B 38 -0.964 -0.362 -2.296 1.00 0.00 C ATOM 1710 C LEU B 38 -1.069 1.146 -2.491 1.00 0.00 C ATOM 1711 O LEU B 38 -1.099 1.904 -1.528 1.00 0.00 O ATOM 1712 CB LEU B 38 0.416 -0.877 -2.770 1.00 0.00 C ATOM 1713 CG LEU B 38 1.668 -0.127 -2.302 1.00 0.00 C ATOM 1714 CD1 LEU B 38 1.756 -0.088 -0.808 1.00 0.00 C ATOM 1715 CD2 LEU B 38 2.912 -0.772 -2.875 1.00 0.00 C ATOM 0 H LEU B 38 -1.626 -1.681 -3.759 1.00 0.00 H new ATOM 0 HA LEU B 38 -1.087 -0.571 -1.233 1.00 0.00 H new ATOM 0 HB2 LEU B 38 0.511 -1.915 -2.452 1.00 0.00 H new ATOM 0 HB3 LEU B 38 0.415 -0.876 -3.860 1.00 0.00 H new ATOM 0 HG LEU B 38 1.595 0.898 -2.664 1.00 0.00 H new ATOM 0 HD11 LEU B 38 2.655 0.451 -0.510 1.00 0.00 H new ATOM 0 HD12 LEU B 38 0.879 0.419 -0.405 1.00 0.00 H new ATOM 0 HD13 LEU B 38 1.798 -1.105 -0.419 1.00 0.00 H new ATOM 0 HD21 LEU B 38 3.793 -0.229 -2.534 1.00 0.00 H new ATOM 0 HD22 LEU B 38 2.972 -1.808 -2.540 1.00 0.00 H new ATOM 0 HD23 LEU B 38 2.867 -0.745 -3.964 1.00 0.00 H new ATOM 1727 N ASP B 39 -1.146 1.553 -3.743 1.00 0.00 N ATOM 1728 CA ASP B 39 -1.242 2.963 -4.130 1.00 0.00 C ATOM 1729 C ASP B 39 -2.452 3.597 -3.477 1.00 0.00 C ATOM 1730 O ASP B 39 -2.364 4.664 -2.881 1.00 0.00 O ATOM 1731 CB ASP B 39 -1.370 3.057 -5.648 1.00 0.00 C ATOM 1732 CG ASP B 39 -1.321 4.460 -6.170 1.00 0.00 C ATOM 1733 OD1 ASP B 39 -0.212 5.030 -6.252 1.00 0.00 O ATOM 1734 OD2 ASP B 39 -2.364 5.000 -6.574 1.00 0.00 O ATOM 0 H ASP B 39 -1.144 0.912 -4.537 1.00 0.00 H new ATOM 0 HA ASP B 39 -0.346 3.491 -3.802 1.00 0.00 H new ATOM 0 HB2 ASP B 39 -0.568 2.479 -6.108 1.00 0.00 H new ATOM 0 HB3 ASP B 39 -2.310 2.597 -5.954 1.00 0.00 H new ATOM 1739 N LYS B 40 -3.559 2.880 -3.554 1.00 0.00 N ATOM 1740 CA LYS B 40 -4.823 3.250 -3.001 1.00 0.00 C ATOM 1741 C LYS B 40 -4.694 3.515 -1.496 1.00 0.00 C ATOM 1742 O LYS B 40 -5.171 4.534 -0.990 1.00 0.00 O ATOM 1743 CB LYS B 40 -5.752 2.078 -3.233 1.00 0.00 C ATOM 1744 CG LYS B 40 -7.188 2.388 -3.060 1.00 0.00 C ATOM 1745 CD LYS B 40 -8.048 1.144 -3.225 1.00 0.00 C ATOM 1746 CE LYS B 40 -9.529 1.466 -3.081 1.00 0.00 C ATOM 1747 NZ LYS B 40 -10.027 2.337 -4.165 1.00 0.00 N ATOM 0 H LYS B 40 -3.588 1.979 -4.032 1.00 0.00 H new ATOM 0 HA LYS B 40 -5.199 4.161 -3.468 1.00 0.00 H new ATOM 0 HB2 LYS B 40 -5.594 1.700 -4.243 1.00 0.00 H new ATOM 0 HB3 LYS B 40 -5.482 1.275 -2.547 1.00 0.00 H new ATOM 0 HG2 LYS B 40 -7.353 2.818 -2.072 1.00 0.00 H new ATOM 0 HG3 LYS B 40 -7.490 3.140 -3.789 1.00 0.00 H new ATOM 0 HD2 LYS B 40 -7.865 0.701 -4.204 1.00 0.00 H new ATOM 0 HD3 LYS B 40 -7.762 0.401 -2.480 1.00 0.00 H new ATOM 0 HE2 LYS B 40 -10.100 0.538 -3.074 1.00 0.00 H new ATOM 0 HE3 LYS B 40 -9.700 1.953 -2.121 1.00 0.00 H new ATOM 0 HZ1 LYS B 40 -11.065 2.389 -4.119 1.00 0.00 H new ATOM 0 HZ2 LYS B 40 -9.627 3.291 -4.055 1.00 0.00 H new ATOM 0 HZ3 LYS B 40 -9.740 1.945 -5.085 1.00 0.00 H new ATOM 1761 N LEU B 41 -4.024 2.599 -0.807 1.00 0.00 N ATOM 1762 CA LEU B 41 -3.813 2.691 0.630 1.00 0.00 C ATOM 1763 C LEU B 41 -2.953 3.890 0.966 1.00 0.00 C ATOM 1764 O LEU B 41 -3.232 4.623 1.918 1.00 0.00 O ATOM 1765 CB LEU B 41 -3.142 1.414 1.154 1.00 0.00 C ATOM 1766 CG LEU B 41 -2.828 1.366 2.654 1.00 0.00 C ATOM 1767 CD1 LEU B 41 -4.097 1.479 3.485 1.00 0.00 C ATOM 1768 CD2 LEU B 41 -2.071 0.095 2.995 1.00 0.00 C ATOM 0 H LEU B 41 -3.611 1.769 -1.232 1.00 0.00 H new ATOM 0 HA LEU B 41 -4.785 2.807 1.109 1.00 0.00 H new ATOM 0 HB2 LEU B 41 -3.786 0.568 0.914 1.00 0.00 H new ATOM 0 HB3 LEU B 41 -2.210 1.270 0.607 1.00 0.00 H new ATOM 0 HG LEU B 41 -2.197 2.221 2.896 1.00 0.00 H new ATOM 0 HD11 LEU B 41 -3.843 1.442 4.544 1.00 0.00 H new ATOM 0 HD12 LEU B 41 -4.594 2.424 3.264 1.00 0.00 H new ATOM 0 HD13 LEU B 41 -4.765 0.652 3.243 1.00 0.00 H new ATOM 0 HD21 LEU B 41 -1.855 0.075 4.063 1.00 0.00 H new ATOM 0 HD22 LEU B 41 -2.677 -0.772 2.731 1.00 0.00 H new ATOM 0 HD23 LEU B 41 -1.136 0.067 2.436 1.00 0.00 H new ATOM 1780 N ILE B 42 -1.933 4.103 0.175 1.00 0.00 N ATOM 1781 CA ILE B 42 -1.026 5.190 0.422 1.00 0.00 C ATOM 1782 C ILE B 42 -1.707 6.530 0.203 1.00 0.00 C ATOM 1783 O ILE B 42 -1.730 7.353 1.112 1.00 0.00 O ATOM 1784 CB ILE B 42 0.292 5.069 -0.387 1.00 0.00 C ATOM 1785 CG1 ILE B 42 0.987 3.763 -0.007 1.00 0.00 C ATOM 1786 CG2 ILE B 42 1.211 6.252 -0.090 1.00 0.00 C ATOM 1787 CD1 ILE B 42 2.315 3.534 -0.678 1.00 0.00 C ATOM 0 H ILE B 42 -1.711 3.538 -0.645 1.00 0.00 H new ATOM 0 HA ILE B 42 -0.738 5.130 1.472 1.00 0.00 H new ATOM 0 HB ILE B 42 0.063 5.072 -1.453 1.00 0.00 H new ATOM 0 HG12 ILE B 42 1.134 3.748 1.073 1.00 0.00 H new ATOM 0 HG13 ILE B 42 0.325 2.932 -0.250 1.00 0.00 H new ATOM 0 HG21 ILE B 42 2.131 6.151 -0.666 1.00 0.00 H new ATOM 0 HG22 ILE B 42 0.710 7.180 -0.366 1.00 0.00 H new ATOM 0 HG23 ILE B 42 1.449 6.270 0.974 1.00 0.00 H new ATOM 0 HD11 ILE B 42 2.731 2.583 -0.346 1.00 0.00 H new ATOM 0 HD12 ILE B 42 2.178 3.512 -1.759 1.00 0.00 H new ATOM 0 HD13 ILE B 42 2.999 4.341 -0.415 1.00 0.00 H new ATOM 1799 N ASN B 43 -2.337 6.702 -0.959 1.00 0.00 N ATOM 1800 CA ASN B 43 -3.048 7.962 -1.317 1.00 0.00 C ATOM 1801 C ASN B 43 -4.076 8.310 -0.265 1.00 0.00 C ATOM 1802 O ASN B 43 -4.305 9.493 0.044 1.00 0.00 O ATOM 1803 CB ASN B 43 -3.770 7.843 -2.672 1.00 0.00 C ATOM 1804 CG ASN B 43 -2.847 7.609 -3.839 1.00 0.00 C ATOM 1805 OD1 ASN B 43 -1.705 8.056 -3.854 1.00 0.00 O ATOM 1806 ND2 ASN B 43 -3.334 6.914 -4.831 1.00 0.00 N ATOM 0 H ASN B 43 -2.378 5.986 -1.685 1.00 0.00 H new ATOM 0 HA ASN B 43 -2.290 8.743 -1.381 1.00 0.00 H new ATOM 0 HB2 ASN B 43 -4.487 7.024 -2.619 1.00 0.00 H new ATOM 0 HB3 ASN B 43 -4.340 8.755 -2.850 1.00 0.00 H new ATOM 0 HD21 ASN B 43 -2.760 6.727 -5.653 1.00 0.00 H new ATOM 0 HD22 ASN B 43 -4.289 6.558 -4.784 1.00 0.00 H new ATOM 1813 N LYS B 44 -4.686 7.276 0.285 1.00 0.00 N ATOM 1814 CA LYS B 44 -5.680 7.393 1.324 1.00 0.00 C ATOM 1815 C LYS B 44 -5.098 8.092 2.554 1.00 0.00 C ATOM 1816 O LYS B 44 -5.706 8.990 3.120 1.00 0.00 O ATOM 1817 CB LYS B 44 -6.152 5.998 1.697 1.00 0.00 C ATOM 1818 CG LYS B 44 -7.231 5.941 2.753 1.00 0.00 C ATOM 1819 CD LYS B 44 -7.542 4.510 3.131 1.00 0.00 C ATOM 1820 CE LYS B 44 -8.105 3.714 1.961 1.00 0.00 C ATOM 1821 NZ LYS B 44 -9.374 4.277 1.462 1.00 0.00 N ATOM 0 H LYS B 44 -4.496 6.312 0.012 1.00 0.00 H new ATOM 0 HA LYS B 44 -6.516 7.991 0.961 1.00 0.00 H new ATOM 0 HB2 LYS B 44 -6.521 5.505 0.798 1.00 0.00 H new ATOM 0 HB3 LYS B 44 -5.294 5.424 2.047 1.00 0.00 H new ATOM 0 HG2 LYS B 44 -6.910 6.493 3.636 1.00 0.00 H new ATOM 0 HG3 LYS B 44 -8.133 6.428 2.383 1.00 0.00 H new ATOM 0 HD2 LYS B 44 -6.635 4.027 3.494 1.00 0.00 H new ATOM 0 HD3 LYS B 44 -8.258 4.501 3.952 1.00 0.00 H new ATOM 0 HE2 LYS B 44 -7.375 3.695 1.152 1.00 0.00 H new ATOM 0 HE3 LYS B 44 -8.265 2.681 2.270 1.00 0.00 H new ATOM 0 HZ1 LYS B 44 -9.814 3.608 0.798 1.00 0.00 H new ATOM 0 HZ2 LYS B 44 -10.018 4.445 2.262 1.00 0.00 H new ATOM 0 HZ3 LYS B 44 -9.187 5.176 0.974 1.00 0.00 H new ATOM 1835 N PHE B 45 -3.917 7.686 2.939 1.00 0.00 N ATOM 1836 CA PHE B 45 -3.254 8.236 4.097 1.00 0.00 C ATOM 1837 C PHE B 45 -2.609 9.582 3.828 1.00 0.00 C ATOM 1838 O PHE B 45 -2.561 10.439 4.715 1.00 0.00 O ATOM 1839 CB PHE B 45 -2.239 7.257 4.663 1.00 0.00 C ATOM 1840 CG PHE B 45 -2.840 6.239 5.576 1.00 0.00 C ATOM 1841 CD1 PHE B 45 -3.446 5.091 5.091 1.00 0.00 C ATOM 1842 CD2 PHE B 45 -2.814 6.456 6.933 1.00 0.00 C ATOM 1843 CE1 PHE B 45 -4.005 4.171 5.958 1.00 0.00 C ATOM 1844 CE2 PHE B 45 -3.370 5.545 7.807 1.00 0.00 C ATOM 1845 CZ PHE B 45 -3.969 4.400 7.318 1.00 0.00 C ATOM 0 H PHE B 45 -3.384 6.962 2.458 1.00 0.00 H new ATOM 0 HA PHE B 45 -4.032 8.405 4.842 1.00 0.00 H new ATOM 0 HB2 PHE B 45 -1.740 6.746 3.840 1.00 0.00 H new ATOM 0 HB3 PHE B 45 -1.473 7.812 5.204 1.00 0.00 H new ATOM 0 HD1 PHE B 45 -3.482 4.914 4.026 1.00 0.00 H new ATOM 0 HD2 PHE B 45 -2.352 7.352 7.320 1.00 0.00 H new ATOM 0 HE1 PHE B 45 -4.469 3.275 5.572 1.00 0.00 H new ATOM 0 HE2 PHE B 45 -3.337 5.726 8.871 1.00 0.00 H new ATOM 0 HZ PHE B 45 -4.408 3.686 7.999 1.00 0.00 H new ATOM 1855 N MET B 46 -2.132 9.773 2.606 1.00 0.00 N ATOM 1856 CA MET B 46 -1.456 11.017 2.212 1.00 0.00 C ATOM 1857 C MET B 46 -2.430 12.178 2.256 1.00 0.00 C ATOM 1858 O MET B 46 -2.041 13.313 2.516 1.00 0.00 O ATOM 1859 CB MET B 46 -0.873 10.910 0.796 1.00 0.00 C ATOM 1860 CG MET B 46 -0.037 9.673 0.568 1.00 0.00 C ATOM 1861 SD MET B 46 0.882 9.685 -0.970 1.00 0.00 S ATOM 1862 CE MET B 46 2.130 10.869 -0.537 1.00 0.00 C ATOM 0 H MET B 46 -2.198 9.081 1.860 1.00 0.00 H new ATOM 0 HA MET B 46 -0.642 11.186 2.917 1.00 0.00 H new ATOM 0 HB2 MET B 46 -1.691 10.921 0.076 1.00 0.00 H new ATOM 0 HB3 MET B 46 -0.262 11.791 0.598 1.00 0.00 H new ATOM 0 HG2 MET B 46 0.663 9.563 1.396 1.00 0.00 H new ATOM 0 HG3 MET B 46 -0.689 8.799 0.583 1.00 0.00 H new ATOM 0 HE1 MET B 46 2.999 10.734 -1.181 1.00 0.00 H new ATOM 0 HE2 MET B 46 1.736 11.877 -0.666 1.00 0.00 H new ATOM 0 HE3 MET B 46 2.423 10.725 0.503 1.00 0.00 H new