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= -0.201 X(o=-0.57,f=-0.45) USER MOD Set 1.2: B 46 MET CE :methyl 139:sc= -0.37 (180deg=-1.87) USER MOD Set 2.1: A 46 MET CE :methyl 147:sc= -3.59 (180deg=-2.43) USER MOD Set 2.2: B 24 HIS : no HD1:sc= -0.869 X(o=-4.5,f=-4) USER MOD Single : A 5 GLN : amide:sc= -0.801 K(o=-0.8,f=0) USER MOD Single : A 7 LYS NZ :NH3+ 176:sc= 1.22 (180deg=1.13) USER MOD Single : A 8 ASN : amide:sc=-0.00249 K(o=-0.0025,f=-0.89) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= -0.0105 X(o=-0.011,f=0) USER MOD Single : A 13 LYS NZ :NH3+ -156:sc= 1.27 (180deg=1) USER MOD Single : A 14 LYS NZ :NH3+ -135:sc= 2.18 (180deg=0.323) USER MOD Single : A 15 LYS NZ :NH3+ 171:sc= -0.0117 (180deg=-0.103) USER MOD Single : A 19 GLN : amide:sc= -2.34! K(o=-2.3!,f=-1) USER MOD Single : A 28 HIS : no HD1:sc= -0.168 X(o=-0.17,f=0) USER MOD Single : A 30 LYS NZ :NH3+ -172:sc= 1.31 (180deg=1.1) USER MOD Single : A 35 SER OG : rot -80:sc= 1.28 USER MOD Single : A 40 LYS NZ :NH3+ -169:sc= -0.0134 (180deg=-0.247) USER MOD Single : A 43 ASN : amide:sc= 1.21 K(o=1.2,f=-0.14) USER MOD Single : A 44 LYS NZ :NH3+ -170:sc=-0.00385 (180deg=-0.129) USER MOD Single : B 7 LYS NZ :NH3+ -173:sc= 1.2 (180deg=1.12) USER MOD Single : B 8 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 9 LYS NZ :NH3+ 164:sc= -0.0522 (180deg=-0.335) USER MOD Single : B 12 ASN : amide:sc= -0.0238 X(o=-0.024,f=-0.5) USER MOD Single : B 13 LYS NZ :NH3+ 178:sc= 1.22 (180deg=1.18) USER MOD Single : B 14 LYS NZ :NH3+ -175:sc= 0.727 (180deg=0.613) USER MOD Single : B 15 LYS NZ :NH3+ -166:sc= -0.0177 (180deg=-0.176) USER MOD Single : B 19 GLN : amide:sc= -0.133 X(o=-0.13,f=0) USER MOD Single : B 28 HIS : no HD1:sc= -0.205 X(o=-0.21,f=-0.011) USER MOD Single : B 30 LYS NZ :NH3+ -160:sc= 1.08 (180deg=0.496) USER MOD Single : B 35 SER OG : rot -87:sc= 1.28 USER MOD Single : B 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 43 ASN : amide:sc= 1.01 K(o=1,f=-0.51) USER MOD Single : B 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 59 N GLN A 5 15.893 -13.613 3.399 1.00 0.00 N ATOM 60 CA GLN A 5 16.663 -12.394 3.146 1.00 0.00 C ATOM 61 C GLN A 5 15.892 -11.464 2.215 1.00 0.00 C ATOM 62 O GLN A 5 15.920 -10.248 2.369 1.00 0.00 O ATOM 63 CB GLN A 5 18.026 -12.725 2.531 1.00 0.00 C ATOM 64 CG GLN A 5 18.955 -13.518 3.440 1.00 0.00 C ATOM 65 CD GLN A 5 20.310 -13.806 2.811 1.00 0.00 C ATOM 66 OE1 GLN A 5 21.326 -13.904 3.509 1.00 0.00 O ATOM 67 NE2 GLN A 5 20.351 -13.948 1.509 1.00 0.00 N ATOM 0 HA GLN A 5 16.824 -11.894 4.101 1.00 0.00 H new ATOM 0 HB2 GLN A 5 17.868 -13.290 1.613 1.00 0.00 H new ATOM 0 HB3 GLN A 5 18.520 -11.794 2.252 1.00 0.00 H new ATOM 0 HG2 GLN A 5 19.103 -12.966 4.368 1.00 0.00 H new ATOM 0 HG3 GLN A 5 18.476 -14.461 3.703 1.00 0.00 H new ATOM 0 HE21 GLN A 5 19.496 -13.862 0.959 1.00 0.00 H new ATOM 0 HE22 GLN A 5 21.238 -14.145 1.045 1.00 0.00 H new ATOM 76 N LEU A 6 15.184 -12.058 1.271 1.00 0.00 N ATOM 77 CA LEU A 6 14.359 -11.322 0.326 1.00 0.00 C ATOM 78 C LEU A 6 13.243 -10.608 1.104 1.00 0.00 C ATOM 79 O LEU A 6 13.016 -9.412 0.936 1.00 0.00 O ATOM 80 CB LEU A 6 13.816 -12.316 -0.752 1.00 0.00 C ATOM 81 CG LEU A 6 12.989 -11.776 -1.950 1.00 0.00 C ATOM 82 CD1 LEU A 6 11.573 -11.417 -1.555 1.00 0.00 C ATOM 83 CD2 LEU A 6 13.682 -10.588 -2.598 1.00 0.00 C ATOM 0 H LEU A 6 15.164 -13.069 1.137 1.00 0.00 H new ATOM 0 HA LEU A 6 14.931 -10.558 -0.201 1.00 0.00 H new ATOM 0 HB2 LEU A 6 14.673 -12.851 -1.162 1.00 0.00 H new ATOM 0 HB3 LEU A 6 13.199 -13.051 -0.235 1.00 0.00 H new ATOM 0 HG LEU A 6 12.926 -12.583 -2.680 1.00 0.00 H new ATOM 0 HD11 LEU A 6 11.035 -11.044 -2.427 1.00 0.00 H new ATOM 0 HD12 LEU A 6 11.068 -12.302 -1.168 1.00 0.00 H new ATOM 0 HD13 LEU A 6 11.594 -10.646 -0.785 1.00 0.00 H new ATOM 0 HD21 LEU A 6 13.082 -10.229 -3.434 1.00 0.00 H new ATOM 0 HD22 LEU A 6 13.797 -9.790 -1.865 1.00 0.00 H new ATOM 0 HD23 LEU A 6 14.664 -10.893 -2.960 1.00 0.00 H new ATOM 95 N LYS A 7 12.595 -11.350 1.983 1.00 0.00 N ATOM 96 CA LYS A 7 11.549 -10.831 2.846 1.00 0.00 C ATOM 97 C LYS A 7 12.084 -9.773 3.791 1.00 0.00 C ATOM 98 O LYS A 7 11.409 -8.789 4.079 1.00 0.00 O ATOM 99 CB LYS A 7 10.914 -11.972 3.642 1.00 0.00 C ATOM 100 CG LYS A 7 9.500 -12.298 3.217 1.00 0.00 C ATOM 101 CD LYS A 7 8.526 -11.191 3.625 1.00 0.00 C ATOM 102 CE LYS A 7 8.287 -11.158 5.119 1.00 0.00 C ATOM 103 NZ LYS A 7 7.333 -10.102 5.494 1.00 0.00 N ATOM 0 H LYS A 7 12.783 -12.343 2.120 1.00 0.00 H new ATOM 0 HA LYS A 7 10.793 -10.365 2.215 1.00 0.00 H new ATOM 0 HB2 LYS A 7 11.531 -12.864 3.535 1.00 0.00 H new ATOM 0 HB3 LYS A 7 10.914 -11.709 4.700 1.00 0.00 H new ATOM 0 HG2 LYS A 7 9.466 -12.435 2.136 1.00 0.00 H new ATOM 0 HG3 LYS A 7 9.191 -13.241 3.668 1.00 0.00 H new ATOM 0 HD2 LYS A 7 8.918 -10.227 3.301 1.00 0.00 H new ATOM 0 HD3 LYS A 7 7.576 -11.338 3.111 1.00 0.00 H new ATOM 0 HE2 LYS A 7 7.907 -12.125 5.448 1.00 0.00 H new ATOM 0 HE3 LYS A 7 9.233 -10.994 5.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 7.142 -10.153 6.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 7.737 -9.172 5.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 6.445 -10.234 4.969 1.00 0.00 H new ATOM 117 N ASN A 8 13.293 -9.978 4.252 1.00 0.00 N ATOM 118 CA ASN A 8 13.947 -9.060 5.169 1.00 0.00 C ATOM 119 C ASN A 8 14.216 -7.720 4.467 1.00 0.00 C ATOM 120 O ASN A 8 14.084 -6.639 5.066 1.00 0.00 O ATOM 121 CB ASN A 8 15.250 -9.678 5.687 1.00 0.00 C ATOM 122 CG ASN A 8 15.847 -8.923 6.854 1.00 0.00 C ATOM 123 OD1 ASN A 8 15.131 -8.336 7.662 1.00 0.00 O ATOM 124 ND2 ASN A 8 17.147 -8.932 6.958 1.00 0.00 N ATOM 0 H ASN A 8 13.859 -10.789 4.004 1.00 0.00 H new ATOM 0 HA ASN A 8 13.293 -8.875 6.021 1.00 0.00 H new ATOM 0 HB2 ASN A 8 15.061 -10.708 5.988 1.00 0.00 H new ATOM 0 HB3 ASN A 8 15.976 -9.711 4.875 1.00 0.00 H new ATOM 0 HD21 ASN A 8 17.600 -8.441 7.729 1.00 0.00 H new ATOM 0 HD22 ASN A 8 17.710 -9.430 6.269 1.00 0.00 H new ATOM 131 N LYS A 9 14.565 -7.794 3.183 1.00 0.00 N ATOM 132 CA LYS A 9 14.754 -6.597 2.357 1.00 0.00 C ATOM 133 C LYS A 9 13.431 -5.903 2.117 1.00 0.00 C ATOM 134 O LYS A 9 13.370 -4.671 2.048 1.00 0.00 O ATOM 135 CB LYS A 9 15.424 -6.936 1.014 1.00 0.00 C ATOM 136 CG LYS A 9 16.864 -7.392 1.134 1.00 0.00 C ATOM 137 CD LYS A 9 17.726 -6.293 1.722 1.00 0.00 C ATOM 138 CE LYS A 9 19.152 -6.744 1.907 1.00 0.00 C ATOM 139 NZ LYS A 9 19.972 -5.684 2.513 1.00 0.00 N ATOM 0 H LYS A 9 14.724 -8.672 2.689 1.00 0.00 H new ATOM 0 HA LYS A 9 15.415 -5.924 2.902 1.00 0.00 H new ATOM 0 HB2 LYS A 9 14.847 -7.718 0.521 1.00 0.00 H new ATOM 0 HB3 LYS A 9 15.386 -6.057 0.370 1.00 0.00 H new ATOM 0 HG2 LYS A 9 16.918 -8.280 1.764 1.00 0.00 H new ATOM 0 HG3 LYS A 9 17.245 -7.674 0.152 1.00 0.00 H new ATOM 0 HD2 LYS A 9 17.702 -5.422 1.068 1.00 0.00 H new ATOM 0 HD3 LYS A 9 17.315 -5.982 2.682 1.00 0.00 H new ATOM 0 HE2 LYS A 9 19.176 -7.632 2.539 1.00 0.00 H new ATOM 0 HE3 LYS A 9 19.574 -7.027 0.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 20.948 -6.023 2.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 19.967 -4.846 1.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 19.581 -5.432 3.443 1.00 0.00 H new ATOM 153 N ILE A 10 12.385 -6.691 1.992 1.00 0.00 N ATOM 154 CA ILE A 10 11.040 -6.181 1.835 1.00 0.00 C ATOM 155 C ILE A 10 10.637 -5.372 3.054 1.00 0.00 C ATOM 156 O ILE A 10 10.157 -4.254 2.913 1.00 0.00 O ATOM 157 CB ILE A 10 10.041 -7.324 1.533 1.00 0.00 C ATOM 158 CG1 ILE A 10 10.310 -7.840 0.122 1.00 0.00 C ATOM 159 CG2 ILE A 10 8.581 -6.887 1.707 1.00 0.00 C ATOM 160 CD1 ILE A 10 9.456 -8.988 -0.293 1.00 0.00 C ATOM 0 H ILE A 10 12.444 -7.709 1.996 1.00 0.00 H new ATOM 0 HA ILE A 10 11.018 -5.512 0.975 1.00 0.00 H new ATOM 0 HB ILE A 10 10.193 -8.127 2.254 1.00 0.00 H new ATOM 0 HG12 ILE A 10 10.164 -7.022 -0.584 1.00 0.00 H new ATOM 0 HG13 ILE A 10 11.356 -8.139 0.052 1.00 0.00 H new ATOM 0 HG21 ILE A 10 7.921 -7.725 1.483 1.00 0.00 H new ATOM 0 HG22 ILE A 10 8.419 -6.562 2.735 1.00 0.00 H new ATOM 0 HG23 ILE A 10 8.364 -6.063 1.027 1.00 0.00 H new ATOM 0 HD11 ILE A 10 9.717 -9.287 -1.308 1.00 0.00 H new ATOM 0 HD12 ILE A 10 9.618 -9.826 0.385 1.00 0.00 H new ATOM 0 HD13 ILE A 10 8.407 -8.692 -0.260 1.00 0.00 H new ATOM 172 N GLU A 11 10.885 -5.924 4.240 1.00 0.00 N ATOM 173 CA GLU A 11 10.638 -5.218 5.504 1.00 0.00 C ATOM 174 C GLU A 11 11.376 -3.893 5.517 1.00 0.00 C ATOM 175 O GLU A 11 10.785 -2.855 5.789 1.00 0.00 O ATOM 176 CB GLU A 11 11.077 -6.071 6.701 1.00 0.00 C ATOM 177 CG GLU A 11 10.385 -7.422 6.791 1.00 0.00 C ATOM 178 CD GLU A 11 8.879 -7.312 6.810 1.00 0.00 C ATOM 179 OE1 GLU A 11 8.302 -6.953 7.855 1.00 0.00 O ATOM 180 OE2 GLU A 11 8.235 -7.614 5.796 1.00 0.00 O ATOM 0 H GLU A 11 11.260 -6.865 4.356 1.00 0.00 H new ATOM 0 HA GLU A 11 9.567 -5.032 5.586 1.00 0.00 H new ATOM 0 HB2 GLU A 11 12.154 -6.230 6.644 1.00 0.00 H new ATOM 0 HB3 GLU A 11 10.885 -5.515 7.619 1.00 0.00 H new ATOM 0 HG2 GLU A 11 10.688 -8.037 5.944 1.00 0.00 H new ATOM 0 HG3 GLU A 11 10.718 -7.936 7.693 1.00 0.00 H new ATOM 187 N ASN A 12 12.643 -3.930 5.149 1.00 0.00 N ATOM 188 CA ASN A 12 13.486 -2.738 5.129 1.00 0.00 C ATOM 189 C ASN A 12 12.958 -1.693 4.148 1.00 0.00 C ATOM 190 O ASN A 12 12.836 -0.523 4.493 1.00 0.00 O ATOM 191 CB ASN A 12 14.933 -3.103 4.778 1.00 0.00 C ATOM 192 CG ASN A 12 15.888 -1.915 4.825 1.00 0.00 C ATOM 193 OD1 ASN A 12 16.457 -1.602 5.869 1.00 0.00 O ATOM 194 ND2 ASN A 12 16.112 -1.290 3.713 1.00 0.00 N ATOM 0 H ASN A 12 13.121 -4.782 4.855 1.00 0.00 H new ATOM 0 HA ASN A 12 13.462 -2.306 6.129 1.00 0.00 H new ATOM 0 HB2 ASN A 12 15.284 -3.869 5.469 1.00 0.00 H new ATOM 0 HB3 ASN A 12 14.957 -3.539 3.780 1.00 0.00 H new ATOM 0 HD21 ASN A 12 16.775 -0.516 3.688 1.00 0.00 H new ATOM 0 HD22 ASN A 12 15.625 -1.572 2.862 1.00 0.00 H new ATOM 201 N LYS A 13 12.610 -2.129 2.947 1.00 0.00 N ATOM 202 CA LYS A 13 12.154 -1.221 1.899 1.00 0.00 C ATOM 203 C LYS A 13 10.771 -0.638 2.250 1.00 0.00 C ATOM 204 O LYS A 13 10.496 0.536 1.995 1.00 0.00 O ATOM 205 CB LYS A 13 12.116 -1.943 0.552 1.00 0.00 C ATOM 206 CG LYS A 13 11.979 -1.019 -0.653 1.00 0.00 C ATOM 207 CD LYS A 13 13.208 -0.139 -0.866 1.00 0.00 C ATOM 208 CE LYS A 13 14.449 -0.948 -1.196 1.00 0.00 C ATOM 209 NZ LYS A 13 15.603 -0.083 -1.529 1.00 0.00 N ATOM 0 H LYS A 13 12.634 -3.111 2.670 1.00 0.00 H new ATOM 0 HA LYS A 13 12.859 -0.393 1.824 1.00 0.00 H new ATOM 0 HB2 LYS A 13 13.027 -2.531 0.442 1.00 0.00 H new ATOM 0 HB3 LYS A 13 11.282 -2.645 0.553 1.00 0.00 H new ATOM 0 HG2 LYS A 13 11.808 -1.618 -1.547 1.00 0.00 H new ATOM 0 HG3 LYS A 13 11.102 -0.385 -0.521 1.00 0.00 H new ATOM 0 HD2 LYS A 13 13.011 0.565 -1.674 1.00 0.00 H new ATOM 0 HD3 LYS A 13 13.390 0.450 0.033 1.00 0.00 H new ATOM 0 HE2 LYS A 13 14.704 -1.582 -0.347 1.00 0.00 H new ATOM 0 HE3 LYS A 13 14.238 -1.610 -2.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 16.275 -0.613 -2.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 15.271 0.754 -2.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 16.075 0.218 -0.653 1.00 0.00 H new ATOM 223 N LYS A 14 9.926 -1.482 2.829 1.00 0.00 N ATOM 224 CA LYS A 14 8.622 -1.124 3.353 1.00 0.00 C ATOM 225 C LYS A 14 8.795 0.025 4.339 1.00 0.00 C ATOM 226 O LYS A 14 8.180 1.065 4.203 1.00 0.00 O ATOM 227 CB LYS A 14 8.057 -2.359 4.083 1.00 0.00 C ATOM 228 CG LYS A 14 6.657 -2.231 4.658 1.00 0.00 C ATOM 229 CD LYS A 14 6.271 -3.481 5.468 1.00 0.00 C ATOM 230 CE LYS A 14 7.032 -3.543 6.785 1.00 0.00 C ATOM 231 NZ LYS A 14 6.750 -4.774 7.577 1.00 0.00 N ATOM 0 H LYS A 14 10.142 -2.472 2.949 1.00 0.00 H new ATOM 0 HA LYS A 14 7.944 -0.816 2.557 1.00 0.00 H new ATOM 0 HB2 LYS A 14 8.064 -3.198 3.387 1.00 0.00 H new ATOM 0 HB3 LYS A 14 8.737 -2.614 4.896 1.00 0.00 H new ATOM 0 HG2 LYS A 14 6.603 -1.350 5.297 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.941 -2.083 3.849 1.00 0.00 H new ATOM 0 HD2 LYS A 14 5.199 -3.473 5.665 1.00 0.00 H new ATOM 0 HD3 LYS A 14 6.480 -4.376 4.882 1.00 0.00 H new ATOM 0 HE2 LYS A 14 8.101 -3.489 6.581 1.00 0.00 H new ATOM 0 HE3 LYS A 14 6.777 -2.669 7.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 6.595 -4.518 8.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 5.899 -5.240 7.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 7.559 -5.424 7.508 1.00 0.00 H new ATOM 245 N LYS A 15 9.692 -0.173 5.295 1.00 0.00 N ATOM 246 CA LYS A 15 10.002 0.821 6.324 1.00 0.00 C ATOM 247 C LYS A 15 10.575 2.070 5.721 1.00 0.00 C ATOM 248 O LYS A 15 10.281 3.176 6.173 1.00 0.00 O ATOM 249 CB LYS A 15 10.970 0.246 7.315 1.00 0.00 C ATOM 250 CG LYS A 15 10.407 -0.913 8.087 1.00 0.00 C ATOM 251 CD LYS A 15 11.481 -1.618 8.863 1.00 0.00 C ATOM 252 CE LYS A 15 12.143 -0.689 9.902 1.00 0.00 C ATOM 253 NZ LYS A 15 11.179 -0.181 10.908 1.00 0.00 N ATOM 0 H LYS A 15 10.232 -1.034 5.383 1.00 0.00 H new ATOM 0 HA LYS A 15 9.073 1.083 6.830 1.00 0.00 H new ATOM 0 HB2 LYS A 15 11.869 -0.078 6.790 1.00 0.00 H new ATOM 0 HB3 LYS A 15 11.272 1.027 8.013 1.00 0.00 H new ATOM 0 HG2 LYS A 15 9.634 -0.559 8.769 1.00 0.00 H new ATOM 0 HG3 LYS A 15 9.930 -1.613 7.401 1.00 0.00 H new ATOM 0 HD2 LYS A 15 11.054 -2.484 9.370 1.00 0.00 H new ATOM 0 HD3 LYS A 15 12.239 -1.993 8.176 1.00 0.00 H new ATOM 0 HE2 LYS A 15 12.942 -1.229 10.410 1.00 0.00 H new ATOM 0 HE3 LYS A 15 12.605 0.154 9.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 11.695 0.310 11.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 10.519 0.481 10.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 10.647 -0.978 11.312 1.00 0.00 H new ATOM 267 N GLU A 16 11.414 1.894 4.726 1.00 0.00 N ATOM 268 CA GLU A 16 11.960 2.994 3.972 1.00 0.00 C ATOM 269 C GLU A 16 10.841 3.851 3.411 1.00 0.00 C ATOM 270 O GLU A 16 10.838 5.071 3.586 1.00 0.00 O ATOM 271 CB GLU A 16 12.865 2.474 2.859 1.00 0.00 C ATOM 272 CG GLU A 16 14.274 2.176 3.294 1.00 0.00 C ATOM 273 CD GLU A 16 15.033 3.447 3.520 1.00 0.00 C ATOM 274 OE1 GLU A 16 14.994 3.994 4.630 1.00 0.00 O ATOM 275 OE2 GLU A 16 15.641 3.956 2.551 1.00 0.00 O ATOM 0 H GLU A 16 11.737 0.977 4.417 1.00 0.00 H new ATOM 0 HA GLU A 16 12.563 3.615 4.635 1.00 0.00 H new ATOM 0 HB2 GLU A 16 12.426 1.567 2.444 1.00 0.00 H new ATOM 0 HB3 GLU A 16 12.893 3.211 2.056 1.00 0.00 H new ATOM 0 HG2 GLU A 16 14.261 1.586 4.210 1.00 0.00 H new ATOM 0 HG3 GLU A 16 14.776 1.576 2.535 1.00 0.00 H new ATOM 282 N LEU A 17 9.874 3.205 2.809 1.00 0.00 N ATOM 283 CA LEU A 17 8.735 3.873 2.238 1.00 0.00 C ATOM 284 C LEU A 17 7.875 4.523 3.307 1.00 0.00 C ATOM 285 O LEU A 17 7.442 5.664 3.137 1.00 0.00 O ATOM 286 CB LEU A 17 7.946 2.897 1.325 1.00 0.00 C ATOM 287 CG LEU A 17 6.500 3.251 0.911 1.00 0.00 C ATOM 288 CD1 LEU A 17 5.504 2.957 2.004 1.00 0.00 C ATOM 289 CD2 LEU A 17 6.383 4.671 0.371 1.00 0.00 C ATOM 0 H LEU A 17 9.857 2.191 2.701 1.00 0.00 H new ATOM 0 HA LEU A 17 9.083 4.691 1.607 1.00 0.00 H new ATOM 0 HB2 LEU A 17 8.525 2.763 0.411 1.00 0.00 H new ATOM 0 HB3 LEU A 17 7.916 1.930 1.828 1.00 0.00 H new ATOM 0 HG LEU A 17 6.242 2.592 0.082 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.503 3.223 1.665 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.535 1.895 2.248 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.754 3.540 2.890 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.348 4.871 0.094 1.00 0.00 H new ATOM 0 HD22 LEU A 17 6.697 5.379 1.138 1.00 0.00 H new ATOM 0 HD23 LEU A 17 7.021 4.780 -0.506 1.00 0.00 H new ATOM 301 N ILE A 18 7.635 3.806 4.400 1.00 0.00 N ATOM 302 CA ILE A 18 6.809 4.320 5.494 1.00 0.00 C ATOM 303 C ILE A 18 7.378 5.646 5.972 1.00 0.00 C ATOM 304 O ILE A 18 6.643 6.578 6.244 1.00 0.00 O ATOM 305 CB ILE A 18 6.716 3.320 6.684 1.00 0.00 C ATOM 306 CG1 ILE A 18 6.102 2.009 6.208 1.00 0.00 C ATOM 307 CG2 ILE A 18 5.873 3.908 7.835 1.00 0.00 C ATOM 308 CD1 ILE A 18 6.242 0.870 7.182 1.00 0.00 C ATOM 0 H ILE A 18 8.000 2.866 4.555 1.00 0.00 H new ATOM 0 HA ILE A 18 5.797 4.459 5.113 1.00 0.00 H new ATOM 0 HB ILE A 18 7.723 3.136 7.058 1.00 0.00 H new ATOM 0 HG12 ILE A 18 5.043 2.170 6.005 1.00 0.00 H new ATOM 0 HG13 ILE A 18 6.568 1.724 5.265 1.00 0.00 H new ATOM 0 HG21 ILE A 18 5.824 3.190 8.654 1.00 0.00 H new ATOM 0 HG22 ILE A 18 6.333 4.830 8.189 1.00 0.00 H new ATOM 0 HG23 ILE A 18 4.866 4.120 7.477 1.00 0.00 H new ATOM 0 HD11 ILE A 18 5.778 -0.024 6.765 1.00 0.00 H new ATOM 0 HD12 ILE A 18 7.299 0.678 7.368 1.00 0.00 H new ATOM 0 HD13 ILE A 18 5.750 1.130 8.119 1.00 0.00 H new ATOM 320 N GLN A 19 8.699 5.718 6.006 1.00 0.00 N ATOM 321 CA GLN A 19 9.411 6.931 6.356 1.00 0.00 C ATOM 322 C GLN A 19 9.055 8.077 5.409 1.00 0.00 C ATOM 323 O GLN A 19 8.815 9.191 5.871 1.00 0.00 O ATOM 324 CB GLN A 19 10.910 6.691 6.371 1.00 0.00 C ATOM 325 CG GLN A 19 11.392 5.817 7.514 1.00 0.00 C ATOM 326 CD GLN A 19 12.830 5.401 7.336 1.00 0.00 C ATOM 327 OE1 GLN A 19 13.762 6.081 7.775 1.00 0.00 O ATOM 328 NE2 GLN A 19 13.021 4.276 6.715 1.00 0.00 N ATOM 0 H GLN A 19 9.309 4.930 5.790 1.00 0.00 H new ATOM 0 HA GLN A 19 9.100 7.220 7.360 1.00 0.00 H new ATOM 0 HB2 GLN A 19 11.201 6.229 5.428 1.00 0.00 H new ATOM 0 HB3 GLN A 19 11.419 7.653 6.425 1.00 0.00 H new ATOM 0 HG2 GLN A 19 11.284 6.357 8.455 1.00 0.00 H new ATOM 0 HG3 GLN A 19 10.763 4.929 7.582 1.00 0.00 H new ATOM 0 HE21 GLN A 19 12.223 3.744 6.367 1.00 0.00 H new ATOM 0 HE22 GLN A 19 13.968 3.925 6.575 1.00 0.00 H new ATOM 337 N LEU A 20 8.974 7.798 4.093 1.00 0.00 N ATOM 338 CA LEU A 20 8.604 8.838 3.137 1.00 0.00 C ATOM 339 C LEU A 20 7.157 9.274 3.336 1.00 0.00 C ATOM 340 O LEU A 20 6.868 10.472 3.348 1.00 0.00 O ATOM 341 CB LEU A 20 8.843 8.481 1.642 1.00 0.00 C ATOM 342 CG LEU A 20 10.290 8.397 1.111 1.00 0.00 C ATOM 343 CD1 LEU A 20 11.168 9.519 1.629 1.00 0.00 C ATOM 344 CD2 LEU A 20 10.911 7.046 1.309 1.00 0.00 C ATOM 0 H LEU A 20 9.156 6.882 3.683 1.00 0.00 H new ATOM 0 HA LEU A 20 9.284 9.661 3.358 1.00 0.00 H new ATOM 0 HB2 LEU A 20 8.368 7.518 1.454 1.00 0.00 H new ATOM 0 HB3 LEU A 20 8.315 9.220 1.039 1.00 0.00 H new ATOM 0 HG LEU A 20 10.216 8.537 0.033 1.00 0.00 H new ATOM 0 HD11 LEU A 20 12.174 9.410 1.224 1.00 0.00 H new ATOM 0 HD12 LEU A 20 10.753 10.478 1.319 1.00 0.00 H new ATOM 0 HD13 LEU A 20 11.209 9.476 2.717 1.00 0.00 H new ATOM 0 HD21 LEU A 20 11.927 7.051 0.915 1.00 0.00 H new ATOM 0 HD22 LEU A 20 10.935 6.809 2.373 1.00 0.00 H new ATOM 0 HD23 LEU A 20 10.322 6.294 0.783 1.00 0.00 H new ATOM 356 N VAL A 21 6.241 8.316 3.492 1.00 0.00 N ATOM 357 CA VAL A 21 4.840 8.681 3.735 1.00 0.00 C ATOM 358 C VAL A 21 4.684 9.432 5.088 1.00 0.00 C ATOM 359 O VAL A 21 3.952 10.400 5.189 1.00 0.00 O ATOM 360 CB VAL A 21 3.908 7.446 3.719 1.00 0.00 C ATOM 361 CG1 VAL A 21 2.443 7.865 3.739 1.00 0.00 C ATOM 362 CG2 VAL A 21 4.196 6.584 2.516 1.00 0.00 C ATOM 0 H VAL A 21 6.431 7.315 3.457 1.00 0.00 H new ATOM 0 HA VAL A 21 4.545 9.343 2.921 1.00 0.00 H new ATOM 0 HB VAL A 21 4.103 6.863 4.619 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.811 6.977 3.727 1.00 0.00 H new ATOM 0 HG12 VAL A 21 2.242 8.442 4.642 1.00 0.00 H new ATOM 0 HG13 VAL A 21 2.227 8.476 2.862 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.532 5.720 2.520 1.00 0.00 H new ATOM 0 HG22 VAL A 21 4.033 7.162 1.607 1.00 0.00 H new ATOM 0 HG23 VAL A 21 5.232 6.246 2.550 1.00 0.00 H new ATOM 372 N ALA A 22 5.409 8.997 6.092 1.00 0.00 N ATOM 373 CA ALA A 22 5.347 9.584 7.422 1.00 0.00 C ATOM 374 C ALA A 22 5.836 11.029 7.431 1.00 0.00 C ATOM 375 O ALA A 22 5.163 11.916 7.975 1.00 0.00 O ATOM 376 CB ALA A 22 6.136 8.742 8.408 1.00 0.00 C ATOM 0 H ALA A 22 6.065 8.220 6.014 1.00 0.00 H new ATOM 0 HA ALA A 22 4.301 9.597 7.728 1.00 0.00 H new ATOM 0 HB1 ALA A 22 6.080 9.194 9.398 1.00 0.00 H new ATOM 0 HB2 ALA A 22 5.718 7.736 8.444 1.00 0.00 H new ATOM 0 HB3 ALA A 22 7.178 8.691 8.091 1.00 0.00 H new ATOM 382 N ARG A 23 6.981 11.276 6.787 1.00 0.00 N ATOM 383 CA ARG A 23 7.570 12.625 6.717 1.00 0.00 C ATOM 384 C ARG A 23 6.692 13.583 5.916 1.00 0.00 C ATOM 385 O ARG A 23 6.866 14.799 5.984 1.00 0.00 O ATOM 386 CB ARG A 23 9.005 12.610 6.177 1.00 0.00 C ATOM 387 CG ARG A 23 9.125 12.043 4.793 1.00 0.00 C ATOM 388 CD ARG A 23 10.546 12.049 4.284 1.00 0.00 C ATOM 389 NE ARG A 23 11.024 13.387 3.926 1.00 0.00 N ATOM 390 CZ ARG A 23 12.143 13.620 3.222 1.00 0.00 C ATOM 391 NH1 ARG A 23 12.958 12.610 2.899 1.00 0.00 N ATOM 392 NH2 ARG A 23 12.450 14.852 2.862 1.00 0.00 N ATOM 0 H ARG A 23 7.523 10.559 6.304 1.00 0.00 H new ATOM 0 HA ARG A 23 7.618 12.993 7.742 1.00 0.00 H new ATOM 0 HB2 ARG A 23 9.394 13.628 6.177 1.00 0.00 H new ATOM 0 HB3 ARG A 23 9.632 12.029 6.853 1.00 0.00 H new ATOM 0 HG2 ARG A 23 8.746 11.021 4.789 1.00 0.00 H new ATOM 0 HG3 ARG A 23 8.497 12.619 4.113 1.00 0.00 H new ATOM 0 HD2 ARG A 23 11.201 11.628 5.047 1.00 0.00 H new ATOM 0 HD3 ARG A 23 10.616 11.400 3.411 1.00 0.00 H new ATOM 0 HE ARG A 23 10.473 14.190 4.230 1.00 0.00 H new ATOM 0 HH11 ARG A 23 12.730 11.659 3.188 1.00 0.00 H new ATOM 0 HH12 ARG A 23 13.807 12.791 2.364 1.00 0.00 H new ATOM 0 HH21 ARG A 23 11.837 15.626 3.119 1.00 0.00 H new ATOM 0 HH22 ARG A 23 13.300 15.030 2.327 1.00 0.00 H new ATOM 406 N HIS A 24 5.789 13.021 5.112 1.00 0.00 N ATOM 407 CA HIS A 24 4.806 13.800 4.373 1.00 0.00 C ATOM 408 C HIS A 24 3.953 14.646 5.342 1.00 0.00 C ATOM 409 O HIS A 24 3.582 15.779 5.025 1.00 0.00 O ATOM 410 CB HIS A 24 3.917 12.869 3.502 1.00 0.00 C ATOM 411 CG HIS A 24 2.734 13.547 2.853 1.00 0.00 C ATOM 412 ND1 HIS A 24 1.435 13.437 3.315 1.00 0.00 N ATOM 413 CD2 HIS A 24 2.674 14.365 1.776 1.00 0.00 C ATOM 414 CE1 HIS A 24 0.654 14.177 2.527 1.00 0.00 C ATOM 415 NE2 HIS A 24 1.357 14.764 1.574 1.00 0.00 N ATOM 0 H HIS A 24 5.722 12.015 4.958 1.00 0.00 H new ATOM 0 HA HIS A 24 5.329 14.482 3.703 1.00 0.00 H new ATOM 0 HB2 HIS A 24 4.536 12.425 2.722 1.00 0.00 H new ATOM 0 HB3 HIS A 24 3.553 12.052 4.124 1.00 0.00 H new ATOM 0 HD2 HIS A 24 3.517 14.661 1.169 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -0.414 14.283 2.651 1.00 0.00 H new ATOM 0 HE2 HIS A 24 1.006 15.382 0.842 1.00 0.00 H new ATOM 423 N GLY A 25 3.675 14.109 6.524 1.00 0.00 N ATOM 424 CA GLY A 25 2.910 14.871 7.492 1.00 0.00 C ATOM 425 C GLY A 25 1.949 14.054 8.324 1.00 0.00 C ATOM 426 O GLY A 25 1.145 14.620 9.072 1.00 0.00 O ATOM 0 H GLY A 25 3.959 13.177 6.826 1.00 0.00 H new ATOM 0 HA2 GLY A 25 3.603 15.383 8.160 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.348 15.642 6.965 1.00 0.00 H new ATOM 430 N LEU A 26 1.999 12.744 8.183 1.00 0.00 N ATOM 431 CA LEU A 26 1.172 11.831 8.941 1.00 0.00 C ATOM 432 C LEU A 26 1.323 11.966 10.451 1.00 0.00 C ATOM 433 O LEU A 26 2.386 12.341 10.959 1.00 0.00 O ATOM 434 CB LEU A 26 1.484 10.406 8.530 1.00 0.00 C ATOM 435 CG LEU A 26 0.740 9.875 7.312 1.00 0.00 C ATOM 436 CD1 LEU A 26 1.021 10.656 6.046 1.00 0.00 C ATOM 437 CD2 LEU A 26 0.983 8.393 7.140 1.00 0.00 C ATOM 0 H LEU A 26 2.626 12.278 7.527 1.00 0.00 H new ATOM 0 HA LEU A 26 0.139 12.091 8.710 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.554 10.333 8.336 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.268 9.752 9.375 1.00 0.00 H new ATOM 0 HG LEU A 26 -0.323 10.022 7.503 1.00 0.00 H new ATOM 0 HD11 LEU A 26 0.458 10.223 5.219 1.00 0.00 H new ATOM 0 HD12 LEU A 26 0.720 11.694 6.185 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.087 10.614 5.821 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.442 8.035 6.264 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.050 8.212 7.007 1.00 0.00 H new ATOM 0 HD23 LEU A 26 0.633 7.862 8.025 1.00 0.00 H new ATOM 449 N ASP A 27 0.238 11.667 11.149 1.00 0.00 N ATOM 450 CA ASP A 27 0.211 11.654 12.618 1.00 0.00 C ATOM 451 C ASP A 27 0.954 10.423 13.094 1.00 0.00 C ATOM 452 O ASP A 27 1.270 9.538 12.287 1.00 0.00 O ATOM 453 CB ASP A 27 -1.228 11.542 13.176 1.00 0.00 C ATOM 454 CG ASP A 27 -2.201 12.598 12.722 1.00 0.00 C ATOM 455 OD1 ASP A 27 -2.723 12.494 11.595 1.00 0.00 O ATOM 456 OD2 ASP A 27 -2.510 13.523 13.509 1.00 0.00 O ATOM 0 H ASP A 27 -0.655 11.425 10.719 1.00 0.00 H new ATOM 0 HA ASP A 27 0.659 12.586 12.964 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -1.628 10.566 12.900 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -1.176 11.569 14.264 1.00 0.00 H new ATOM 461 N HIS A 28 1.139 10.304 14.398 1.00 0.00 N ATOM 462 CA HIS A 28 1.837 9.149 14.974 1.00 0.00 C ATOM 463 C HIS A 28 1.002 7.913 14.714 1.00 0.00 C ATOM 464 O HIS A 28 1.515 6.866 14.319 1.00 0.00 O ATOM 465 CB HIS A 28 2.018 9.279 16.506 1.00 0.00 C ATOM 466 CG HIS A 28 2.711 10.517 16.992 1.00 0.00 C ATOM 467 ND1 HIS A 28 3.961 10.525 17.577 1.00 0.00 N ATOM 468 CD2 HIS A 28 2.270 11.799 17.036 1.00 0.00 C ATOM 469 CE1 HIS A 28 4.232 11.780 17.951 1.00 0.00 C ATOM 470 NE2 HIS A 28 3.230 12.596 17.643 1.00 0.00 N ATOM 0 H HIS A 28 0.819 10.988 15.084 1.00 0.00 H new ATOM 0 HA HIS A 28 2.823 9.090 14.513 1.00 0.00 H new ATOM 0 HB2 HIS A 28 1.034 9.233 16.972 1.00 0.00 H new ATOM 0 HB3 HIS A 28 2.578 8.413 16.859 1.00 0.00 H new ATOM 0 HD2 HIS A 28 1.320 12.145 16.658 1.00 0.00 H new ATOM 0 HE1 HIS A 28 5.145 12.089 18.439 1.00 0.00 H new ATOM 0 HE2 HIS A 28 3.177 13.600 17.817 1.00 0.00 H new ATOM 478 N ASP A 29 -0.304 8.068 14.900 1.00 0.00 N ATOM 479 CA ASP A 29 -1.248 6.978 14.719 1.00 0.00 C ATOM 480 C ASP A 29 -1.358 6.616 13.266 1.00 0.00 C ATOM 481 O ASP A 29 -1.542 5.456 12.932 1.00 0.00 O ATOM 482 CB ASP A 29 -2.639 7.326 15.252 1.00 0.00 C ATOM 483 CG ASP A 29 -2.670 7.670 16.715 1.00 0.00 C ATOM 484 OD1 ASP A 29 -2.616 6.759 17.568 1.00 0.00 O ATOM 485 OD2 ASP A 29 -2.766 8.871 17.040 1.00 0.00 O ATOM 0 H ASP A 29 -0.734 8.950 15.179 1.00 0.00 H new ATOM 0 HA ASP A 29 -0.865 6.131 15.288 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -3.033 8.168 14.684 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -3.305 6.482 15.074 1.00 0.00 H new ATOM 490 N LYS A 30 -1.213 7.612 12.395 1.00 0.00 N ATOM 491 CA LYS A 30 -1.292 7.384 10.960 1.00 0.00 C ATOM 492 C LYS A 30 -0.182 6.460 10.503 1.00 0.00 C ATOM 493 O LYS A 30 -0.425 5.549 9.737 1.00 0.00 O ATOM 494 CB LYS A 30 -1.209 8.677 10.160 1.00 0.00 C ATOM 495 CG LYS A 30 -2.367 9.648 10.286 1.00 0.00 C ATOM 496 CD LYS A 30 -3.694 9.064 9.859 1.00 0.00 C ATOM 497 CE LYS A 30 -4.734 10.168 9.671 1.00 0.00 C ATOM 498 NZ LYS A 30 -4.885 11.040 10.864 1.00 0.00 N ATOM 0 H LYS A 30 -1.041 8.582 12.660 1.00 0.00 H new ATOM 0 HA LYS A 30 -2.264 6.927 10.776 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -0.298 9.198 10.455 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -1.101 8.416 9.107 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -2.442 9.979 11.322 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -2.157 10.531 9.683 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -3.571 8.511 8.928 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -4.042 8.353 10.608 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -4.453 10.781 8.815 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -5.697 9.715 9.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -5.694 11.679 10.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -5.048 10.451 11.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -4.019 11.601 10.996 1.00 0.00 H new ATOM 512 N VAL A 31 1.032 6.685 11.008 1.00 0.00 N ATOM 513 CA VAL A 31 2.182 5.874 10.637 1.00 0.00 C ATOM 514 C VAL A 31 1.960 4.430 11.095 1.00 0.00 C ATOM 515 O VAL A 31 2.283 3.476 10.378 1.00 0.00 O ATOM 516 CB VAL A 31 3.501 6.439 11.250 1.00 0.00 C ATOM 517 CG1 VAL A 31 4.713 5.634 10.816 1.00 0.00 C ATOM 518 CG2 VAL A 31 3.677 7.905 10.884 1.00 0.00 C ATOM 0 H VAL A 31 1.240 7.426 11.677 1.00 0.00 H new ATOM 0 HA VAL A 31 2.285 5.901 9.552 1.00 0.00 H new ATOM 0 HB VAL A 31 3.420 6.355 12.334 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.611 6.059 11.264 1.00 0.00 H new ATOM 0 HG12 VAL A 31 4.599 4.600 11.142 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.800 5.664 9.730 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.602 8.281 11.321 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.720 8.007 9.800 1.00 0.00 H new ATOM 0 HG23 VAL A 31 2.835 8.480 11.269 1.00 0.00 H new ATOM 528 N LEU A 32 1.352 4.285 12.261 1.00 0.00 N ATOM 529 CA LEU A 32 1.037 2.978 12.814 1.00 0.00 C ATOM 530 C LEU A 32 -0.014 2.277 11.961 1.00 0.00 C ATOM 531 O LEU A 32 0.177 1.138 11.544 1.00 0.00 O ATOM 532 CB LEU A 32 0.549 3.108 14.255 1.00 0.00 C ATOM 533 CG LEU A 32 1.528 3.759 15.233 1.00 0.00 C ATOM 534 CD1 LEU A 32 0.921 3.834 16.612 1.00 0.00 C ATOM 535 CD2 LEU A 32 2.853 3.005 15.268 1.00 0.00 C ATOM 0 H LEU A 32 1.064 5.067 12.849 1.00 0.00 H new ATOM 0 HA LEU A 32 1.946 2.376 12.810 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.374 3.687 14.255 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.302 2.113 14.626 1.00 0.00 H new ATOM 0 HG LEU A 32 1.730 4.772 14.887 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.630 4.300 17.297 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.008 4.428 16.576 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.686 2.829 16.961 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.529 3.490 15.972 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.678 1.976 15.583 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.300 3.009 14.274 1.00 0.00 H new ATOM 547 N LEU A 33 -1.101 2.984 11.671 1.00 0.00 N ATOM 548 CA LEU A 33 -2.190 2.452 10.845 1.00 0.00 C ATOM 549 C LEU A 33 -1.692 2.074 9.472 1.00 0.00 C ATOM 550 O LEU A 33 -2.009 0.997 8.962 1.00 0.00 O ATOM 551 CB LEU A 33 -3.314 3.475 10.692 1.00 0.00 C ATOM 552 CG LEU A 33 -4.065 3.876 11.950 1.00 0.00 C ATOM 553 CD1 LEU A 33 -5.088 4.942 11.618 1.00 0.00 C ATOM 554 CD2 LEU A 33 -4.743 2.673 12.571 1.00 0.00 C ATOM 0 H LEU A 33 -1.256 3.938 11.998 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.572 1.566 11.352 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -2.892 4.377 10.249 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.037 3.078 9.979 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.353 4.277 12.671 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.624 5.226 12.523 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.583 5.816 11.206 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.795 4.552 10.885 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.276 2.980 13.471 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.449 2.246 11.859 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.993 1.926 12.831 1.00 0.00 H new ATOM 566 N PHE A 34 -0.906 2.959 8.890 1.00 0.00 N ATOM 567 CA PHE A 34 -0.360 2.761 7.573 1.00 0.00 C ATOM 568 C PHE A 34 0.538 1.539 7.538 1.00 0.00 C ATOM 569 O PHE A 34 0.343 0.665 6.717 1.00 0.00 O ATOM 570 CB PHE A 34 0.401 4.014 7.104 1.00 0.00 C ATOM 571 CG PHE A 34 0.988 3.898 5.726 1.00 0.00 C ATOM 572 CD1 PHE A 34 0.186 4.024 4.606 1.00 0.00 C ATOM 573 CD2 PHE A 34 2.338 3.647 5.552 1.00 0.00 C ATOM 574 CE1 PHE A 34 0.719 3.908 3.342 1.00 0.00 C ATOM 575 CE2 PHE A 34 2.873 3.528 4.291 1.00 0.00 C ATOM 576 CZ PHE A 34 2.063 3.657 3.187 1.00 0.00 C ATOM 0 H PHE A 34 -0.630 3.839 9.325 1.00 0.00 H new ATOM 0 HA PHE A 34 -1.188 2.590 6.885 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -0.277 4.867 7.127 1.00 0.00 H new ATOM 0 HB3 PHE A 34 1.203 4.225 7.812 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -0.870 4.216 4.725 1.00 0.00 H new ATOM 0 HD2 PHE A 34 2.978 3.544 6.416 1.00 0.00 H new ATOM 0 HE1 PHE A 34 0.084 4.014 2.475 1.00 0.00 H new ATOM 0 HE2 PHE A 34 3.928 3.333 4.168 1.00 0.00 H new ATOM 0 HZ PHE A 34 2.483 3.561 2.196 1.00 0.00 H new ATOM 586 N SER A 35 1.482 1.460 8.463 1.00 0.00 N ATOM 587 CA SER A 35 2.443 0.375 8.475 1.00 0.00 C ATOM 588 C SER A 35 1.786 -0.994 8.664 1.00 0.00 C ATOM 589 O SER A 35 2.154 -1.957 7.983 1.00 0.00 O ATOM 590 CB SER A 35 3.542 0.627 9.513 1.00 0.00 C ATOM 591 OG SER A 35 2.998 0.903 10.787 1.00 0.00 O ATOM 0 H SER A 35 1.601 2.138 9.216 1.00 0.00 H new ATOM 0 HA SER A 35 2.909 0.352 7.490 1.00 0.00 H new ATOM 0 HB2 SER A 35 4.192 -0.246 9.575 1.00 0.00 H new ATOM 0 HB3 SER A 35 4.162 1.464 9.192 1.00 0.00 H new ATOM 0 HG SER A 35 2.709 1.839 10.824 1.00 0.00 H new ATOM 597 N ARG A 36 0.791 -1.075 9.541 1.00 0.00 N ATOM 598 CA ARG A 36 0.136 -2.344 9.791 1.00 0.00 C ATOM 599 C ARG A 36 -0.786 -2.752 8.645 1.00 0.00 C ATOM 600 O ARG A 36 -0.916 -3.927 8.347 1.00 0.00 O ATOM 601 CB ARG A 36 -0.563 -2.377 11.158 1.00 0.00 C ATOM 602 CG ARG A 36 -1.706 -1.401 11.345 1.00 0.00 C ATOM 603 CD ARG A 36 -2.090 -1.294 12.817 1.00 0.00 C ATOM 604 NE ARG A 36 -2.460 -2.592 13.418 1.00 0.00 N ATOM 605 CZ ARG A 36 -2.463 -2.854 14.742 1.00 0.00 C ATOM 606 NH1 ARG A 36 -2.021 -1.948 15.614 1.00 0.00 N ATOM 607 NH2 ARG A 36 -2.878 -4.030 15.175 1.00 0.00 N ATOM 0 H ARG A 36 0.428 -0.289 10.080 1.00 0.00 H new ATOM 0 HA ARG A 36 0.920 -3.101 9.834 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -0.942 -3.385 11.326 1.00 0.00 H new ATOM 0 HB3 ARG A 36 0.183 -2.184 11.929 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -1.418 -0.420 10.967 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -2.568 -1.727 10.762 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -1.255 -0.868 13.374 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -2.926 -0.602 12.918 1.00 0.00 H new ATOM 0 HE ARG A 36 -2.733 -3.345 12.786 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -1.676 -1.047 15.283 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -2.027 -2.156 16.613 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -3.194 -4.736 14.510 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -2.882 -4.233 16.175 1.00 0.00 H new ATOM 621 N ASP A 37 -1.394 -1.777 7.982 1.00 0.00 N ATOM 622 CA ASP A 37 -2.276 -2.055 6.833 1.00 0.00 C ATOM 623 C ASP A 37 -1.408 -2.469 5.653 1.00 0.00 C ATOM 624 O ASP A 37 -1.676 -3.460 4.974 1.00 0.00 O ATOM 625 CB ASP A 37 -3.087 -0.805 6.474 1.00 0.00 C ATOM 626 CG ASP A 37 -4.216 -1.060 5.473 1.00 0.00 C ATOM 627 OD1 ASP A 37 -3.960 -1.330 4.301 1.00 0.00 O ATOM 628 OD2 ASP A 37 -5.400 -0.979 5.872 1.00 0.00 O ATOM 0 H ASP A 37 -1.300 -0.788 8.211 1.00 0.00 H new ATOM 0 HA ASP A 37 -2.973 -2.854 7.084 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -3.512 -0.386 7.386 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -2.413 -0.054 6.062 1.00 0.00 H new ATOM 633 N LEU A 38 -0.327 -1.716 5.469 1.00 0.00 N ATOM 634 CA LEU A 38 0.680 -1.959 4.442 1.00 0.00 C ATOM 635 C LEU A 38 1.258 -3.352 4.569 1.00 0.00 C ATOM 636 O LEU A 38 1.379 -4.068 3.578 1.00 0.00 O ATOM 637 CB LEU A 38 1.788 -0.891 4.560 1.00 0.00 C ATOM 638 CG LEU A 38 3.102 -1.106 3.795 1.00 0.00 C ATOM 639 CD1 LEU A 38 2.879 -1.264 2.317 1.00 0.00 C ATOM 640 CD2 LEU A 38 4.034 0.051 4.051 1.00 0.00 C ATOM 0 H LEU A 38 -0.123 -0.899 6.045 1.00 0.00 H new ATOM 0 HA LEU A 38 0.214 -1.889 3.459 1.00 0.00 H new ATOM 0 HB2 LEU A 38 1.367 0.060 4.234 1.00 0.00 H new ATOM 0 HB3 LEU A 38 2.034 -0.785 5.617 1.00 0.00 H new ATOM 0 HG LEU A 38 3.547 -2.032 4.159 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.837 -1.414 1.818 1.00 0.00 H new ATOM 0 HD12 LEU A 38 2.237 -2.126 2.136 1.00 0.00 H new ATOM 0 HD13 LEU A 38 2.401 -0.367 1.923 1.00 0.00 H new ATOM 0 HD21 LEU A 38 4.965 -0.105 3.507 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.567 0.976 3.713 1.00 0.00 H new ATOM 0 HD23 LEU A 38 4.245 0.119 5.118 1.00 0.00 H new ATOM 652 N ASP A 39 1.588 -3.739 5.788 1.00 0.00 N ATOM 653 CA ASP A 39 2.164 -5.051 6.050 1.00 0.00 C ATOM 654 C ASP A 39 1.189 -6.143 5.614 1.00 0.00 C ATOM 655 O ASP A 39 1.578 -7.120 4.969 1.00 0.00 O ATOM 656 CB ASP A 39 2.508 -5.196 7.537 1.00 0.00 C ATOM 657 CG ASP A 39 3.378 -6.398 7.830 1.00 0.00 C ATOM 658 OD1 ASP A 39 4.603 -6.314 7.598 1.00 0.00 O ATOM 659 OD2 ASP A 39 2.873 -7.428 8.332 1.00 0.00 O ATOM 0 H ASP A 39 1.467 -3.161 6.619 1.00 0.00 H new ATOM 0 HA ASP A 39 3.085 -5.155 5.476 1.00 0.00 H new ATOM 0 HB2 ASP A 39 3.018 -4.294 7.875 1.00 0.00 H new ATOM 0 HB3 ASP A 39 1.585 -5.274 8.111 1.00 0.00 H new ATOM 664 N LYS A 40 -0.086 -5.932 5.905 1.00 0.00 N ATOM 665 CA LYS A 40 -1.135 -6.875 5.532 1.00 0.00 C ATOM 666 C LYS A 40 -1.312 -6.943 4.014 1.00 0.00 C ATOM 667 O LYS A 40 -1.454 -8.042 3.452 1.00 0.00 O ATOM 668 CB LYS A 40 -2.463 -6.522 6.196 1.00 0.00 C ATOM 669 CG LYS A 40 -2.424 -6.548 7.712 1.00 0.00 C ATOM 670 CD LYS A 40 -3.775 -6.206 8.316 1.00 0.00 C ATOM 671 CE LYS A 40 -3.700 -6.144 9.836 1.00 0.00 C ATOM 672 NZ LYS A 40 -3.179 -7.399 10.427 1.00 0.00 N ATOM 0 H LYS A 40 -0.423 -5.108 6.403 1.00 0.00 H new ATOM 0 HA LYS A 40 -0.821 -7.856 5.887 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.768 -5.528 5.868 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -3.226 -7.220 5.851 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -2.114 -7.536 8.051 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -1.676 -5.840 8.069 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -4.118 -5.247 7.927 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -4.510 -6.953 8.016 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -3.060 -5.313 10.132 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -4.692 -5.941 10.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -3.319 -7.382 11.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -3.687 -8.211 10.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -2.164 -7.486 10.217 1.00 0.00 H new ATOM 686 N LEU A 41 -1.291 -5.774 3.361 1.00 0.00 N ATOM 687 CA LEU A 41 -1.416 -5.669 1.902 1.00 0.00 C ATOM 688 C LEU A 41 -0.284 -6.483 1.263 1.00 0.00 C ATOM 689 O LEU A 41 -0.507 -7.261 0.321 1.00 0.00 O ATOM 690 CB LEU A 41 -1.343 -4.162 1.475 1.00 0.00 C ATOM 691 CG LEU A 41 -1.791 -3.759 0.033 1.00 0.00 C ATOM 692 CD1 LEU A 41 -1.776 -2.279 -0.150 1.00 0.00 C ATOM 693 CD2 LEU A 41 -0.945 -4.357 -1.028 1.00 0.00 C ATOM 0 H LEU A 41 -1.187 -4.874 3.830 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.375 -6.064 1.566 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.949 -3.591 2.179 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.311 -3.834 1.603 1.00 0.00 H new ATOM 0 HG LEU A 41 -2.805 -4.146 -0.066 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -2.093 -2.035 -1.164 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.457 -1.817 0.564 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.767 -1.902 0.015 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.308 -4.039 -2.005 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.086 -4.029 -0.899 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -0.991 -5.444 -0.960 1.00 0.00 H new ATOM 705 N ILE A 42 0.906 -6.328 1.809 1.00 0.00 N ATOM 706 CA ILE A 42 2.066 -7.047 1.328 1.00 0.00 C ATOM 707 C ILE A 42 1.875 -8.552 1.509 1.00 0.00 C ATOM 708 O ILE A 42 1.881 -9.286 0.524 1.00 0.00 O ATOM 709 CB ILE A 42 3.388 -6.551 1.996 1.00 0.00 C ATOM 710 CG1 ILE A 42 3.614 -5.071 1.667 1.00 0.00 C ATOM 711 CG2 ILE A 42 4.579 -7.373 1.528 1.00 0.00 C ATOM 712 CD1 ILE A 42 4.880 -4.488 2.253 1.00 0.00 C ATOM 0 H ILE A 42 1.094 -5.704 2.594 1.00 0.00 H new ATOM 0 HA ILE A 42 2.163 -6.840 0.262 1.00 0.00 H new ATOM 0 HB ILE A 42 3.292 -6.673 3.075 1.00 0.00 H new ATOM 0 HG12 ILE A 42 3.641 -4.952 0.584 1.00 0.00 H new ATOM 0 HG13 ILE A 42 2.762 -4.496 2.030 1.00 0.00 H new ATOM 0 HG21 ILE A 42 5.486 -7.006 2.009 1.00 0.00 H new ATOM 0 HG22 ILE A 42 4.426 -8.419 1.793 1.00 0.00 H new ATOM 0 HG23 ILE A 42 4.680 -7.284 0.446 1.00 0.00 H new ATOM 0 HD11 ILE A 42 4.961 -3.438 1.972 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.850 -4.571 3.339 1.00 0.00 H new ATOM 0 HD13 ILE A 42 5.743 -5.034 1.871 1.00 0.00 H new ATOM 724 N ASN A 43 1.621 -8.992 2.749 1.00 0.00 N ATOM 725 CA ASN A 43 1.403 -10.435 3.069 1.00 0.00 C ATOM 726 C ASN A 43 0.323 -11.068 2.187 1.00 0.00 C ATOM 727 O ASN A 43 0.412 -12.256 1.820 1.00 0.00 O ATOM 728 CB ASN A 43 1.036 -10.655 4.549 1.00 0.00 C ATOM 729 CG ASN A 43 2.212 -10.579 5.519 1.00 0.00 C ATOM 730 OD1 ASN A 43 2.827 -11.594 5.842 1.00 0.00 O ATOM 731 ND2 ASN A 43 2.533 -9.413 5.985 1.00 0.00 N ATOM 0 H ASN A 43 1.558 -8.376 3.560 1.00 0.00 H new ATOM 0 HA ASN A 43 2.356 -10.924 2.865 1.00 0.00 H new ATOM 0 HB2 ASN A 43 0.295 -9.910 4.839 1.00 0.00 H new ATOM 0 HB3 ASN A 43 0.563 -11.632 4.650 1.00 0.00 H new ATOM 0 HD21 ASN A 43 3.313 -9.321 6.636 1.00 0.00 H new ATOM 0 HD22 ASN A 43 2.006 -8.587 5.700 1.00 0.00 H new ATOM 738 N LYS A 44 -0.674 -10.269 1.837 1.00 0.00 N ATOM 739 CA LYS A 44 -1.769 -10.682 0.969 1.00 0.00 C ATOM 740 C LYS A 44 -1.231 -11.127 -0.388 1.00 0.00 C ATOM 741 O LYS A 44 -1.540 -12.215 -0.874 1.00 0.00 O ATOM 742 CB LYS A 44 -2.712 -9.497 0.764 1.00 0.00 C ATOM 743 CG LYS A 44 -3.925 -9.777 -0.112 1.00 0.00 C ATOM 744 CD LYS A 44 -4.680 -8.498 -0.439 1.00 0.00 C ATOM 745 CE LYS A 44 -5.205 -7.807 0.810 1.00 0.00 C ATOM 746 NZ LYS A 44 -6.127 -8.667 1.582 1.00 0.00 N ATOM 0 H LYS A 44 -0.747 -9.302 2.152 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.298 -11.515 1.433 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -3.059 -9.157 1.740 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -2.147 -8.676 0.323 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.605 -10.259 -1.036 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.590 -10.474 0.397 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -4.022 -7.818 -0.980 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -5.514 -8.729 -1.102 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -4.366 -7.518 1.443 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -5.720 -6.889 0.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -6.588 -8.103 2.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -6.850 -9.060 0.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -5.592 -9.444 2.020 1.00 0.00 H new ATOM 760 N PHE A 45 -0.402 -10.303 -0.966 1.00 0.00 N ATOM 761 CA PHE A 45 0.142 -10.570 -2.273 1.00 0.00 C ATOM 762 C PHE A 45 1.276 -11.568 -2.254 1.00 0.00 C ATOM 763 O PHE A 45 1.448 -12.320 -3.206 1.00 0.00 O ATOM 764 CB PHE A 45 0.537 -9.286 -2.982 1.00 0.00 C ATOM 765 CG PHE A 45 -0.620 -8.608 -3.647 1.00 0.00 C ATOM 766 CD1 PHE A 45 -1.467 -7.772 -2.937 1.00 0.00 C ATOM 767 CD2 PHE A 45 -0.875 -8.833 -4.992 1.00 0.00 C ATOM 768 CE1 PHE A 45 -2.541 -7.164 -3.554 1.00 0.00 C ATOM 769 CE2 PHE A 45 -1.950 -8.232 -5.612 1.00 0.00 C ATOM 770 CZ PHE A 45 -2.784 -7.397 -4.893 1.00 0.00 C ATOM 0 H PHE A 45 -0.084 -9.429 -0.548 1.00 0.00 H new ATOM 0 HA PHE A 45 -0.659 -11.038 -2.846 1.00 0.00 H new ATOM 0 HB2 PHE A 45 0.987 -8.603 -2.262 1.00 0.00 H new ATOM 0 HB3 PHE A 45 1.299 -9.509 -3.729 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -1.284 -7.594 -1.888 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -0.226 -9.484 -5.558 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -3.189 -6.508 -2.992 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -2.140 -8.414 -6.659 1.00 0.00 H new ATOM 0 HZ PHE A 45 -3.626 -6.927 -5.379 1.00 0.00 H new ATOM 780 N MET A 46 2.020 -11.608 -1.166 1.00 0.00 N ATOM 781 CA MET A 46 3.156 -12.533 -1.043 1.00 0.00 C ATOM 782 C MET A 46 2.661 -13.967 -0.987 1.00 0.00 C ATOM 783 O MET A 46 3.349 -14.895 -1.412 1.00 0.00 O ATOM 784 CB MET A 46 3.950 -12.254 0.230 1.00 0.00 C ATOM 785 CG MET A 46 4.356 -10.818 0.390 1.00 0.00 C ATOM 786 SD MET A 46 5.645 -10.585 1.591 1.00 0.00 S ATOM 787 CE MET A 46 6.994 -11.123 0.587 1.00 0.00 C ATOM 0 H MET A 46 1.868 -11.016 -0.349 1.00 0.00 H new ATOM 0 HA MET A 46 3.795 -12.386 -1.913 1.00 0.00 H new ATOM 0 HB2 MET A 46 3.352 -12.551 1.092 1.00 0.00 H new ATOM 0 HB3 MET A 46 4.844 -12.877 0.233 1.00 0.00 H new ATOM 0 HG2 MET A 46 4.691 -10.432 -0.573 1.00 0.00 H new ATOM 0 HG3 MET A 46 3.485 -10.231 0.683 1.00 0.00 H new ATOM 0 HE1 MET A 46 7.890 -10.561 0.850 1.00 0.00 H new ATOM 0 HE2 MET A 46 7.170 -12.186 0.753 1.00 0.00 H new ATOM 0 HE3 MET A 46 6.756 -10.954 -0.463 1.00 0.00 H new ATOM 1151 N LEU B 6 9.045 14.910 -2.878 1.00 0.00 N ATOM 1152 CA LEU B 6 8.724 14.092 -1.740 1.00 0.00 C ATOM 1153 C LEU B 6 7.941 12.877 -2.255 1.00 0.00 C ATOM 1154 O LEU B 6 8.253 11.731 -1.922 1.00 0.00 O ATOM 1155 CB LEU B 6 7.933 14.948 -0.704 1.00 0.00 C ATOM 1156 CG LEU B 6 7.529 14.313 0.650 1.00 0.00 C ATOM 1157 CD1 LEU B 6 6.339 13.391 0.515 1.00 0.00 C ATOM 1158 CD2 LEU B 6 8.699 13.574 1.269 1.00 0.00 C ATOM 0 HA LEU B 6 9.612 13.728 -1.223 1.00 0.00 H new ATOM 0 HB2 LEU B 6 8.530 15.833 -0.486 1.00 0.00 H new ATOM 0 HB3 LEU B 6 7.020 15.291 -1.191 1.00 0.00 H new ATOM 0 HG LEU B 6 7.238 15.130 1.310 1.00 0.00 H new ATOM 0 HD11 LEU B 6 6.093 12.970 1.490 1.00 0.00 H new ATOM 0 HD12 LEU B 6 5.485 13.952 0.136 1.00 0.00 H new ATOM 0 HD13 LEU B 6 6.580 12.585 -0.178 1.00 0.00 H new ATOM 0 HD21 LEU B 6 8.392 13.137 2.219 1.00 0.00 H new ATOM 0 HD22 LEU B 6 9.028 12.783 0.595 1.00 0.00 H new ATOM 0 HD23 LEU B 6 9.520 14.270 1.439 1.00 0.00 H new ATOM 1170 N LYS B 7 6.964 13.151 -3.106 1.00 0.00 N ATOM 1171 CA LYS B 7 6.168 12.131 -3.768 1.00 0.00 C ATOM 1172 C LYS B 7 7.020 11.245 -4.616 1.00 0.00 C ATOM 1173 O LYS B 7 6.812 10.050 -4.642 1.00 0.00 O ATOM 1174 CB LYS B 7 5.058 12.764 -4.608 1.00 0.00 C ATOM 1175 CG LYS B 7 3.690 12.663 -3.970 1.00 0.00 C ATOM 1176 CD LYS B 7 3.124 11.246 -4.095 1.00 0.00 C ATOM 1177 CE LYS B 7 2.643 10.972 -5.514 1.00 0.00 C ATOM 1178 NZ LYS B 7 1.951 9.667 -5.651 1.00 0.00 N ATOM 0 H LYS B 7 6.699 14.103 -3.359 1.00 0.00 H new ATOM 0 HA LYS B 7 5.708 11.519 -2.992 1.00 0.00 H new ATOM 0 HB2 LYS B 7 5.295 13.814 -4.778 1.00 0.00 H new ATOM 0 HB3 LYS B 7 5.032 12.281 -5.585 1.00 0.00 H new ATOM 0 HG2 LYS B 7 3.755 12.940 -2.918 1.00 0.00 H new ATOM 0 HG3 LYS B 7 3.011 13.372 -4.445 1.00 0.00 H new ATOM 0 HD2 LYS B 7 3.889 10.520 -3.820 1.00 0.00 H new ATOM 0 HD3 LYS B 7 2.297 11.118 -3.396 1.00 0.00 H new ATOM 0 HE2 LYS B 7 1.967 11.769 -5.823 1.00 0.00 H new ATOM 0 HE3 LYS B 7 3.496 10.997 -6.192 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 1.753 9.483 -6.655 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 2.558 8.911 -5.274 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 1.057 9.691 -5.120 1.00 0.00 H new ATOM 1192 N ASN B 8 7.988 11.832 -5.294 1.00 0.00 N ATOM 1193 CA ASN B 8 8.914 11.076 -6.126 1.00 0.00 C ATOM 1194 C ASN B 8 9.648 10.033 -5.300 1.00 0.00 C ATOM 1195 O ASN B 8 9.805 8.901 -5.735 1.00 0.00 O ATOM 1196 CB ASN B 8 9.916 11.998 -6.848 1.00 0.00 C ATOM 1197 CG ASN B 8 10.879 11.239 -7.766 1.00 0.00 C ATOM 1198 OD1 ASN B 8 10.569 10.988 -8.920 1.00 0.00 O ATOM 1199 ND2 ASN B 8 12.062 10.920 -7.284 1.00 0.00 N ATOM 0 H ASN B 8 8.157 12.838 -5.286 1.00 0.00 H new ATOM 0 HA ASN B 8 8.326 10.567 -6.890 1.00 0.00 H new ATOM 0 HB2 ASN B 8 9.366 12.732 -7.436 1.00 0.00 H new ATOM 0 HB3 ASN B 8 10.491 12.551 -6.106 1.00 0.00 H new ATOM 0 HD21 ASN B 8 12.746 10.451 -7.879 1.00 0.00 H new ATOM 0 HD22 ASN B 8 12.295 11.141 -6.316 1.00 0.00 H new ATOM 1206 N LYS B 9 10.056 10.412 -4.089 1.00 0.00 N ATOM 1207 CA LYS B 9 10.742 9.490 -3.190 1.00 0.00 C ATOM 1208 C LYS B 9 9.785 8.416 -2.696 1.00 0.00 C ATOM 1209 O LYS B 9 10.168 7.247 -2.576 1.00 0.00 O ATOM 1210 CB LYS B 9 11.366 10.227 -2.011 1.00 0.00 C ATOM 1211 CG LYS B 9 12.429 11.224 -2.409 1.00 0.00 C ATOM 1212 CD LYS B 9 13.000 11.936 -1.201 1.00 0.00 C ATOM 1213 CE LYS B 9 14.030 12.973 -1.612 1.00 0.00 C ATOM 1214 NZ LYS B 9 13.441 14.030 -2.471 1.00 0.00 N ATOM 0 H LYS B 9 9.923 11.350 -3.710 1.00 0.00 H new ATOM 0 HA LYS B 9 11.545 9.013 -3.752 1.00 0.00 H new ATOM 0 HB2 LYS B 9 10.580 10.747 -1.463 1.00 0.00 H new ATOM 0 HB3 LYS B 9 11.802 9.498 -1.328 1.00 0.00 H new ATOM 0 HG2 LYS B 9 13.229 10.711 -2.943 1.00 0.00 H new ATOM 0 HG3 LYS B 9 12.005 11.955 -3.097 1.00 0.00 H new ATOM 0 HD2 LYS B 9 12.196 12.419 -0.646 1.00 0.00 H new ATOM 0 HD3 LYS B 9 13.459 11.209 -0.530 1.00 0.00 H new ATOM 0 HE2 LYS B 9 14.462 13.429 -0.721 1.00 0.00 H new ATOM 0 HE3 LYS B 9 14.844 12.484 -2.146 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 14.084 14.846 -2.507 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 13.299 13.658 -3.432 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 12.526 14.328 -2.077 1.00 0.00 H new ATOM 1228 N ILE B 10 8.545 8.816 -2.414 1.00 0.00 N ATOM 1229 CA ILE B 10 7.496 7.877 -2.018 1.00 0.00 C ATOM 1230 C ILE B 10 7.285 6.862 -3.126 1.00 0.00 C ATOM 1231 O ILE B 10 7.332 5.655 -2.888 1.00 0.00 O ATOM 1232 CB ILE B 10 6.141 8.602 -1.702 1.00 0.00 C ATOM 1233 CG1 ILE B 10 6.287 9.476 -0.454 1.00 0.00 C ATOM 1234 CG2 ILE B 10 4.995 7.601 -1.531 1.00 0.00 C ATOM 1235 CD1 ILE B 10 5.038 10.225 -0.050 1.00 0.00 C ATOM 0 H ILE B 10 8.242 9.789 -2.453 1.00 0.00 H new ATOM 0 HA ILE B 10 7.822 7.380 -1.104 1.00 0.00 H new ATOM 0 HB ILE B 10 5.895 9.240 -2.551 1.00 0.00 H new ATOM 0 HG12 ILE B 10 6.600 8.846 0.378 1.00 0.00 H new ATOM 0 HG13 ILE B 10 7.086 10.197 -0.625 1.00 0.00 H new ATOM 0 HG21 ILE B 10 4.072 8.138 -1.313 1.00 0.00 H new ATOM 0 HG22 ILE B 10 4.873 7.027 -2.450 1.00 0.00 H new ATOM 0 HG23 ILE B 10 5.223 6.924 -0.708 1.00 0.00 H new ATOM 0 HD11 ILE B 10 5.241 10.815 0.844 1.00 0.00 H new ATOM 0 HD12 ILE B 10 4.732 10.887 -0.860 1.00 0.00 H new ATOM 0 HD13 ILE B 10 4.239 9.514 0.159 1.00 0.00 H new ATOM 1247 N GLU B 11 7.094 7.368 -4.340 1.00 0.00 N ATOM 1248 CA GLU B 11 6.898 6.542 -5.508 1.00 0.00 C ATOM 1249 C GLU B 11 8.079 5.611 -5.701 1.00 0.00 C ATOM 1250 O GLU B 11 7.906 4.410 -5.769 1.00 0.00 O ATOM 1251 CB GLU B 11 6.692 7.394 -6.770 1.00 0.00 C ATOM 1252 CG GLU B 11 5.435 8.249 -6.780 1.00 0.00 C ATOM 1253 CD GLU B 11 4.188 7.435 -6.631 1.00 0.00 C ATOM 1254 OE1 GLU B 11 3.810 6.712 -7.576 1.00 0.00 O ATOM 1255 OE2 GLU B 11 3.543 7.496 -5.568 1.00 0.00 O ATOM 0 H GLU B 11 7.072 8.369 -4.534 1.00 0.00 H new ATOM 0 HA GLU B 11 5.997 5.950 -5.347 1.00 0.00 H new ATOM 0 HB2 GLU B 11 7.556 8.047 -6.892 1.00 0.00 H new ATOM 0 HB3 GLU B 11 6.668 6.732 -7.635 1.00 0.00 H new ATOM 0 HG2 GLU B 11 5.488 8.978 -5.971 1.00 0.00 H new ATOM 0 HG3 GLU B 11 5.389 8.811 -7.713 1.00 0.00 H new ATOM 1262 N ASN B 12 9.266 6.185 -5.717 1.00 0.00 N ATOM 1263 CA ASN B 12 10.527 5.463 -5.925 1.00 0.00 C ATOM 1264 C ASN B 12 10.727 4.336 -4.919 1.00 0.00 C ATOM 1265 O ASN B 12 10.975 3.194 -5.306 1.00 0.00 O ATOM 1266 CB ASN B 12 11.710 6.466 -5.895 1.00 0.00 C ATOM 1267 CG ASN B 12 13.102 5.840 -5.901 1.00 0.00 C ATOM 1268 OD1 ASN B 12 13.325 4.738 -6.387 1.00 0.00 O ATOM 1269 ND2 ASN B 12 14.060 6.568 -5.389 1.00 0.00 N ATOM 0 H ASN B 12 9.394 7.188 -5.584 1.00 0.00 H new ATOM 0 HA ASN B 12 10.485 4.987 -6.905 1.00 0.00 H new ATOM 0 HB2 ASN B 12 11.624 7.128 -6.757 1.00 0.00 H new ATOM 0 HB3 ASN B 12 11.614 7.088 -5.005 1.00 0.00 H new ATOM 0 HD21 ASN B 12 15.019 6.221 -5.388 1.00 0.00 H new ATOM 0 HD22 ASN B 12 13.848 7.483 -4.990 1.00 0.00 H new ATOM 1276 N LYS B 13 10.564 4.630 -3.648 1.00 0.00 N ATOM 1277 CA LYS B 13 10.809 3.641 -2.621 1.00 0.00 C ATOM 1278 C LYS B 13 9.734 2.536 -2.666 1.00 0.00 C ATOM 1279 O LYS B 13 10.045 1.348 -2.514 1.00 0.00 O ATOM 1280 CB LYS B 13 10.884 4.318 -1.256 1.00 0.00 C ATOM 1281 CG LYS B 13 11.594 3.507 -0.191 1.00 0.00 C ATOM 1282 CD LYS B 13 13.060 3.221 -0.568 1.00 0.00 C ATOM 1283 CE LYS B 13 13.916 4.477 -0.687 1.00 0.00 C ATOM 1284 NZ LYS B 13 14.186 5.134 0.620 1.00 0.00 N ATOM 0 H LYS B 13 10.264 5.541 -3.302 1.00 0.00 H new ATOM 0 HA LYS B 13 11.769 3.158 -2.804 1.00 0.00 H new ATOM 0 HB2 LYS B 13 11.394 5.275 -1.367 1.00 0.00 H new ATOM 0 HB3 LYS B 13 9.871 4.534 -0.915 1.00 0.00 H new ATOM 0 HG2 LYS B 13 11.561 4.045 0.757 1.00 0.00 H new ATOM 0 HG3 LYS B 13 11.067 2.565 -0.041 1.00 0.00 H new ATOM 0 HD2 LYS B 13 13.498 2.563 0.183 1.00 0.00 H new ATOM 0 HD3 LYS B 13 13.084 2.684 -1.516 1.00 0.00 H new ATOM 0 HE2 LYS B 13 14.864 4.218 -1.158 1.00 0.00 H new ATOM 0 HE3 LYS B 13 13.416 5.187 -1.346 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 14.800 5.961 0.473 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 13.288 5.441 1.046 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 14.659 4.461 1.256 1.00 0.00 H new ATOM 1298 N LYS B 14 8.489 2.944 -2.901 1.00 0.00 N ATOM 1299 CA LYS B 14 7.367 2.042 -3.109 1.00 0.00 C ATOM 1300 C LYS B 14 7.683 1.125 -4.287 1.00 0.00 C ATOM 1301 O LYS B 14 7.586 -0.076 -4.180 1.00 0.00 O ATOM 1302 CB LYS B 14 6.120 2.879 -3.425 1.00 0.00 C ATOM 1303 CG LYS B 14 4.848 2.101 -3.742 1.00 0.00 C ATOM 1304 CD LYS B 14 3.721 3.044 -4.190 1.00 0.00 C ATOM 1305 CE LYS B 14 4.063 3.750 -5.498 1.00 0.00 C ATOM 1306 NZ LYS B 14 3.041 4.740 -5.902 1.00 0.00 N ATOM 0 H LYS B 14 8.231 3.929 -2.952 1.00 0.00 H new ATOM 0 HA LYS B 14 7.190 1.440 -2.218 1.00 0.00 H new ATOM 0 HB2 LYS B 14 5.920 3.530 -2.574 1.00 0.00 H new ATOM 0 HB3 LYS B 14 6.347 3.524 -4.274 1.00 0.00 H new ATOM 0 HG2 LYS B 14 5.050 1.372 -4.527 1.00 0.00 H new ATOM 0 HG3 LYS B 14 4.531 1.542 -2.862 1.00 0.00 H new ATOM 0 HD2 LYS B 14 2.799 2.476 -4.313 1.00 0.00 H new ATOM 0 HD3 LYS B 14 3.537 3.786 -3.413 1.00 0.00 H new ATOM 0 HE2 LYS B 14 5.026 4.251 -5.394 1.00 0.00 H new ATOM 0 HE3 LYS B 14 4.174 3.007 -6.288 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 3.282 5.126 -6.837 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 2.110 4.279 -5.948 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 3.011 5.512 -5.206 1.00 0.00 H new ATOM 1320 N LYS B 15 8.102 1.722 -5.393 1.00 0.00 N ATOM 1321 CA LYS B 15 8.470 1.005 -6.611 1.00 0.00 C ATOM 1322 C LYS B 15 9.590 0.007 -6.374 1.00 0.00 C ATOM 1323 O LYS B 15 9.561 -1.096 -6.926 1.00 0.00 O ATOM 1324 CB LYS B 15 8.826 1.991 -7.720 1.00 0.00 C ATOM 1325 CG LYS B 15 7.616 2.674 -8.344 1.00 0.00 C ATOM 1326 CD LYS B 15 8.011 3.971 -9.020 1.00 0.00 C ATOM 1327 CE LYS B 15 6.888 4.558 -9.854 1.00 0.00 C ATOM 1328 NZ LYS B 15 6.569 3.722 -11.031 1.00 0.00 N ATOM 0 H LYS B 15 8.198 2.734 -5.473 1.00 0.00 H new ATOM 0 HA LYS B 15 7.603 0.426 -6.929 1.00 0.00 H new ATOM 0 HB2 LYS B 15 9.494 2.752 -7.317 1.00 0.00 H new ATOM 0 HB3 LYS B 15 9.377 1.464 -8.499 1.00 0.00 H new ATOM 0 HG2 LYS B 15 7.153 2.007 -9.072 1.00 0.00 H new ATOM 0 HG3 LYS B 15 6.870 2.874 -7.575 1.00 0.00 H new ATOM 0 HD2 LYS B 15 8.313 4.694 -8.262 1.00 0.00 H new ATOM 0 HD3 LYS B 15 8.878 3.796 -9.657 1.00 0.00 H new ATOM 0 HE2 LYS B 15 5.997 4.666 -9.235 1.00 0.00 H new ATOM 0 HE3 LYS B 15 7.169 5.557 -10.186 1.00 0.00 H new ATOM 0 HZ1 LYS B 15 5.976 4.264 -11.691 1.00 0.00 H new ATOM 0 HZ2 LYS B 15 7.450 3.442 -11.507 1.00 0.00 H new ATOM 0 HZ3 LYS B 15 6.056 2.871 -10.724 1.00 0.00 H new ATOM 1342 N GLU B 16 10.571 0.378 -5.560 1.00 0.00 N ATOM 1343 CA GLU B 16 11.636 -0.543 -5.195 1.00 0.00 C ATOM 1344 C GLU B 16 11.102 -1.722 -4.403 1.00 0.00 C ATOM 1345 O GLU B 16 11.531 -2.864 -4.605 1.00 0.00 O ATOM 1346 CB GLU B 16 12.754 0.135 -4.432 1.00 0.00 C ATOM 1347 CG GLU B 16 13.597 1.073 -5.243 1.00 0.00 C ATOM 1348 CD GLU B 16 14.960 1.186 -4.647 1.00 0.00 C ATOM 1349 OE1 GLU B 16 15.087 1.649 -3.505 1.00 0.00 O ATOM 1350 OE2 GLU B 16 15.934 0.719 -5.283 1.00 0.00 O ATOM 0 H GLU B 16 10.650 1.306 -5.143 1.00 0.00 H new ATOM 0 HA GLU B 16 12.054 -0.911 -6.132 1.00 0.00 H new ATOM 0 HB2 GLU B 16 12.321 0.688 -3.598 1.00 0.00 H new ATOM 0 HB3 GLU B 16 13.399 -0.632 -4.005 1.00 0.00 H new ATOM 0 HG2 GLU B 16 13.670 0.713 -6.269 1.00 0.00 H new ATOM 0 HG3 GLU B 16 13.126 2.055 -5.282 1.00 0.00 H new ATOM 1357 N LEU B 17 10.172 -1.442 -3.520 1.00 0.00 N ATOM 1358 CA LEU B 17 9.510 -2.463 -2.733 1.00 0.00 C ATOM 1359 C LEU B 17 8.680 -3.357 -3.619 1.00 0.00 C ATOM 1360 O LEU B 17 8.700 -4.580 -3.471 1.00 0.00 O ATOM 1361 CB LEU B 17 8.669 -1.803 -1.601 1.00 0.00 C ATOM 1362 CG LEU B 17 7.634 -2.658 -0.839 1.00 0.00 C ATOM 1363 CD1 LEU B 17 6.356 -2.838 -1.604 1.00 0.00 C ATOM 1364 CD2 LEU B 17 8.214 -3.977 -0.366 1.00 0.00 C ATOM 0 H LEU B 17 9.850 -0.494 -3.324 1.00 0.00 H new ATOM 0 HA LEU B 17 10.259 -3.096 -2.256 1.00 0.00 H new ATOM 0 HB2 LEU B 17 9.366 -1.399 -0.867 1.00 0.00 H new ATOM 0 HB3 LEU B 17 8.139 -0.956 -2.037 1.00 0.00 H new ATOM 0 HG LEU B 17 7.374 -2.094 0.056 1.00 0.00 H new ATOM 0 HD11 LEU B 17 5.665 -3.447 -1.021 1.00 0.00 H new ATOM 0 HD12 LEU B 17 5.907 -1.864 -1.797 1.00 0.00 H new ATOM 0 HD13 LEU B 17 6.566 -3.334 -2.551 1.00 0.00 H new ATOM 0 HD21 LEU B 17 7.448 -4.542 0.164 1.00 0.00 H new ATOM 0 HD22 LEU B 17 8.559 -4.552 -1.225 1.00 0.00 H new ATOM 0 HD23 LEU B 17 9.053 -3.786 0.304 1.00 0.00 H new ATOM 1376 N ILE B 18 7.947 -2.750 -4.522 1.00 0.00 N ATOM 1377 CA ILE B 18 7.111 -3.478 -5.438 1.00 0.00 C ATOM 1378 C ILE B 18 7.963 -4.458 -6.242 1.00 0.00 C ATOM 1379 O ILE B 18 7.606 -5.606 -6.400 1.00 0.00 O ATOM 1380 CB ILE B 18 6.328 -2.525 -6.374 1.00 0.00 C ATOM 1381 CG1 ILE B 18 5.355 -1.651 -5.563 1.00 0.00 C ATOM 1382 CG2 ILE B 18 5.556 -3.328 -7.419 1.00 0.00 C ATOM 1383 CD1 ILE B 18 4.821 -0.476 -6.338 1.00 0.00 C ATOM 0 H ILE B 18 7.915 -1.737 -4.640 1.00 0.00 H new ATOM 0 HA ILE B 18 6.373 -4.037 -4.863 1.00 0.00 H new ATOM 0 HB ILE B 18 7.043 -1.876 -6.880 1.00 0.00 H new ATOM 0 HG12 ILE B 18 4.520 -2.265 -5.227 1.00 0.00 H new ATOM 0 HG13 ILE B 18 5.863 -1.287 -4.670 1.00 0.00 H new ATOM 0 HG21 ILE B 18 5.010 -2.646 -8.071 1.00 0.00 H new ATOM 0 HG22 ILE B 18 6.254 -3.917 -8.014 1.00 0.00 H new ATOM 0 HG23 ILE B 18 4.853 -3.994 -6.919 1.00 0.00 H new ATOM 0 HD11 ILE B 18 4.142 0.097 -5.707 1.00 0.00 H new ATOM 0 HD12 ILE B 18 5.649 0.160 -6.651 1.00 0.00 H new ATOM 0 HD13 ILE B 18 4.285 -0.833 -7.217 1.00 0.00 H new ATOM 1395 N GLN B 19 9.128 -3.996 -6.672 1.00 0.00 N ATOM 1396 CA GLN B 19 10.095 -4.837 -7.385 1.00 0.00 C ATOM 1397 C GLN B 19 10.586 -6.010 -6.510 1.00 0.00 C ATOM 1398 O GLN B 19 10.997 -7.059 -7.022 1.00 0.00 O ATOM 1399 CB GLN B 19 11.276 -3.991 -7.865 1.00 0.00 C ATOM 1400 CG GLN B 19 10.925 -3.038 -8.995 1.00 0.00 C ATOM 1401 CD GLN B 19 12.061 -2.107 -9.359 1.00 0.00 C ATOM 1402 OE1 GLN B 19 12.906 -2.426 -10.197 1.00 0.00 O ATOM 1403 NE2 GLN B 19 12.078 -0.948 -8.754 1.00 0.00 N ATOM 0 H GLN B 19 9.435 -3.032 -6.540 1.00 0.00 H new ATOM 0 HA GLN B 19 9.591 -5.266 -8.251 1.00 0.00 H new ATOM 0 HB2 GLN B 19 11.665 -3.416 -7.025 1.00 0.00 H new ATOM 0 HB3 GLN B 19 12.076 -4.654 -8.196 1.00 0.00 H new ATOM 0 HG2 GLN B 19 10.640 -3.616 -9.874 1.00 0.00 H new ATOM 0 HG3 GLN B 19 10.056 -2.446 -8.707 1.00 0.00 H new ATOM 0 HE21 GLN B 19 11.360 -0.721 -8.066 1.00 0.00 H new ATOM 0 HE22 GLN B 19 12.809 -0.270 -8.970 1.00 0.00 H new ATOM 1412 N LEU B 20 10.522 -5.841 -5.205 1.00 0.00 N ATOM 1413 CA LEU B 20 10.928 -6.877 -4.279 1.00 0.00 C ATOM 1414 C LEU B 20 9.823 -7.900 -4.091 1.00 0.00 C ATOM 1415 O LEU B 20 10.071 -9.097 -4.230 1.00 0.00 O ATOM 1416 CB LEU B 20 11.387 -6.301 -2.936 1.00 0.00 C ATOM 1417 CG LEU B 20 12.640 -5.417 -2.967 1.00 0.00 C ATOM 1418 CD1 LEU B 20 12.936 -4.877 -1.582 1.00 0.00 C ATOM 1419 CD2 LEU B 20 13.841 -6.194 -3.497 1.00 0.00 C ATOM 0 H LEU B 20 10.189 -4.986 -4.759 1.00 0.00 H new ATOM 0 HA LEU B 20 11.788 -7.384 -4.717 1.00 0.00 H new ATOM 0 HB2 LEU B 20 10.567 -5.718 -2.516 1.00 0.00 H new ATOM 0 HB3 LEU B 20 11.571 -7.130 -2.253 1.00 0.00 H new ATOM 0 HG LEU B 20 12.450 -4.581 -3.640 1.00 0.00 H new ATOM 0 HD11 LEU B 20 13.828 -4.251 -1.618 1.00 0.00 H new ATOM 0 HD12 LEU B 20 12.090 -4.284 -1.234 1.00 0.00 H new ATOM 0 HD13 LEU B 20 13.103 -5.707 -0.896 1.00 0.00 H new ATOM 0 HD21 LEU B 20 14.717 -5.546 -3.509 1.00 0.00 H new ATOM 0 HD22 LEU B 20 14.033 -7.051 -2.852 1.00 0.00 H new ATOM 0 HD23 LEU B 20 13.632 -6.541 -4.509 1.00 0.00 H new ATOM 1431 N VAL B 21 8.595 -7.459 -3.783 1.00 0.00 N ATOM 1432 CA VAL B 21 7.497 -8.398 -3.681 1.00 0.00 C ATOM 1433 C VAL B 21 7.225 -9.096 -5.038 1.00 0.00 C ATOM 1434 O VAL B 21 6.774 -10.236 -5.083 1.00 0.00 O ATOM 1435 CB VAL B 21 6.212 -7.722 -3.180 1.00 0.00 C ATOM 1436 CG1 VAL B 21 6.448 -6.967 -1.913 1.00 0.00 C ATOM 1437 CG2 VAL B 21 5.583 -6.841 -4.214 1.00 0.00 C ATOM 0 H VAL B 21 8.352 -6.484 -3.607 1.00 0.00 H new ATOM 0 HA VAL B 21 7.796 -9.150 -2.951 1.00 0.00 H new ATOM 0 HB VAL B 21 5.506 -8.526 -2.973 1.00 0.00 H new ATOM 0 HG11 VAL B 21 5.517 -6.502 -1.588 1.00 0.00 H new ATOM 0 HG12 VAL B 21 6.800 -7.652 -1.142 1.00 0.00 H new ATOM 0 HG13 VAL B 21 7.199 -6.196 -2.084 1.00 0.00 H new ATOM 0 HG21 VAL B 21 4.679 -6.389 -3.806 1.00 0.00 H new ATOM 0 HG22 VAL B 21 6.284 -6.056 -4.499 1.00 0.00 H new ATOM 0 HG23 VAL B 21 5.328 -7.435 -5.091 1.00 0.00 H new ATOM 1447 N ALA B 22 7.526 -8.403 -6.122 1.00 0.00 N ATOM 1448 CA ALA B 22 7.338 -8.922 -7.451 1.00 0.00 C ATOM 1449 C ALA B 22 8.245 -10.113 -7.707 1.00 0.00 C ATOM 1450 O ALA B 22 7.810 -11.141 -8.236 1.00 0.00 O ATOM 1451 CB ALA B 22 7.565 -7.829 -8.469 1.00 0.00 C ATOM 0 H ALA B 22 7.910 -7.458 -6.097 1.00 0.00 H new ATOM 0 HA ALA B 22 6.310 -9.273 -7.546 1.00 0.00 H new ATOM 0 HB1 ALA B 22 7.421 -8.230 -9.472 1.00 0.00 H new ATOM 0 HB2 ALA B 22 6.856 -7.019 -8.297 1.00 0.00 H new ATOM 0 HB3 ALA B 22 8.582 -7.448 -8.373 1.00 0.00 H new ATOM 1457 N ARG B 23 9.489 -10.007 -7.265 1.00 0.00 N ATOM 1458 CA ARG B 23 10.453 -11.076 -7.458 1.00 0.00 C ATOM 1459 C ARG B 23 10.251 -12.194 -6.438 1.00 0.00 C ATOM 1460 O ARG B 23 10.883 -13.240 -6.523 1.00 0.00 O ATOM 1461 CB ARG B 23 11.891 -10.542 -7.434 1.00 0.00 C ATOM 1462 CG ARG B 23 12.336 -9.959 -6.111 1.00 0.00 C ATOM 1463 CD ARG B 23 13.679 -9.264 -6.245 1.00 0.00 C ATOM 1464 NE ARG B 23 13.606 -8.129 -7.182 1.00 0.00 N ATOM 1465 CZ ARG B 23 14.654 -7.570 -7.805 1.00 0.00 C ATOM 1466 NH1 ARG B 23 15.894 -7.997 -7.553 1.00 0.00 N ATOM 1467 NH2 ARG B 23 14.458 -6.588 -8.673 1.00 0.00 N ATOM 0 H ARG B 23 9.853 -9.192 -6.771 1.00 0.00 H new ATOM 0 HA ARG B 23 10.282 -11.502 -8.447 1.00 0.00 H new ATOM 0 HB2 ARG B 23 12.568 -11.353 -7.702 1.00 0.00 H new ATOM 0 HB3 ARG B 23 11.991 -9.776 -8.203 1.00 0.00 H new ATOM 0 HG2 ARG B 23 11.590 -9.250 -5.753 1.00 0.00 H new ATOM 0 HG3 ARG B 23 12.406 -10.751 -5.366 1.00 0.00 H new ATOM 0 HD2 ARG B 23 14.006 -8.910 -5.267 1.00 0.00 H new ATOM 0 HD3 ARG B 23 14.426 -9.977 -6.593 1.00 0.00 H new ATOM 0 HE ARG B 23 12.684 -7.737 -7.372 1.00 0.00 H new ATOM 0 HH11 ARG B 23 16.047 -8.752 -6.884 1.00 0.00 H new ATOM 0 HH12 ARG B 23 16.688 -7.569 -8.029 1.00 0.00 H new ATOM 0 HH21 ARG B 23 13.512 -6.259 -8.866 1.00 0.00 H new ATOM 0 HH22 ARG B 23 15.253 -6.161 -9.148 1.00 0.00 H new ATOM 1481 N HIS B 24 9.367 -11.961 -5.478 1.00 0.00 N ATOM 1482 CA HIS B 24 9.009 -12.977 -4.491 1.00 0.00 C ATOM 1483 C HIS B 24 8.251 -14.127 -5.175 1.00 0.00 C ATOM 1484 O HIS B 24 8.329 -15.279 -4.746 1.00 0.00 O ATOM 1485 CB HIS B 24 8.146 -12.360 -3.364 1.00 0.00 C ATOM 1486 CG HIS B 24 7.724 -13.320 -2.276 1.00 0.00 C ATOM 1487 ND1 HIS B 24 6.580 -14.089 -2.308 1.00 0.00 N ATOM 1488 CD2 HIS B 24 8.316 -13.603 -1.104 1.00 0.00 C ATOM 1489 CE1 HIS B 24 6.526 -14.796 -1.178 1.00 0.00 C ATOM 1490 NE2 HIS B 24 7.560 -14.537 -0.411 1.00 0.00 N ATOM 0 H HIS B 24 8.880 -11.072 -5.359 1.00 0.00 H new ATOM 0 HA HIS B 24 9.923 -13.370 -4.046 1.00 0.00 H new ATOM 0 HB2 HIS B 24 8.704 -11.542 -2.908 1.00 0.00 H new ATOM 0 HB3 HIS B 24 7.251 -11.926 -3.810 1.00 0.00 H new ATOM 0 HD2 HIS B 24 9.241 -13.169 -0.754 1.00 0.00 H new ATOM 0 HE1 HIS B 24 5.737 -15.489 -0.927 1.00 0.00 H new ATOM 0 HE2 HIS B 24 7.765 -14.939 0.504 1.00 0.00 H new ATOM 1498 N GLY B 25 7.538 -13.813 -6.245 1.00 0.00 N ATOM 1499 CA GLY B 25 6.784 -14.837 -6.930 1.00 0.00 C ATOM 1500 C GLY B 25 5.589 -14.299 -7.669 1.00 0.00 C ATOM 1501 O GLY B 25 4.968 -15.020 -8.442 1.00 0.00 O ATOM 0 H GLY B 25 7.469 -12.878 -6.647 1.00 0.00 H new ATOM 0 HA2 GLY B 25 7.438 -15.350 -7.635 1.00 0.00 H new ATOM 0 HA3 GLY B 25 6.451 -15.580 -6.205 1.00 0.00 H new ATOM 1505 N LEU B 26 5.245 -13.050 -7.408 1.00 0.00 N ATOM 1506 CA LEU B 26 4.156 -12.379 -8.062 1.00 0.00 C ATOM 1507 C LEU B 26 4.238 -12.384 -9.574 1.00 0.00 C ATOM 1508 O LEU B 26 5.310 -12.228 -10.178 1.00 0.00 O ATOM 1509 CB LEU B 26 4.041 -10.952 -7.560 1.00 0.00 C ATOM 1510 CG LEU B 26 3.250 -10.743 -6.285 1.00 0.00 C ATOM 1511 CD1 LEU B 26 3.786 -11.511 -5.114 1.00 0.00 C ATOM 1512 CD2 LEU B 26 3.089 -9.271 -5.986 1.00 0.00 C ATOM 0 H LEU B 26 5.729 -12.471 -6.722 1.00 0.00 H new ATOM 0 HA LEU B 26 3.263 -12.949 -7.805 1.00 0.00 H new ATOM 0 HB2 LEU B 26 5.047 -10.564 -7.404 1.00 0.00 H new ATOM 0 HB3 LEU B 26 3.585 -10.350 -8.346 1.00 0.00 H new ATOM 0 HG LEU B 26 2.258 -11.159 -6.461 1.00 0.00 H new ATOM 0 HD11 LEU B 26 3.170 -11.313 -4.237 1.00 0.00 H new ATOM 0 HD12 LEU B 26 3.766 -12.577 -5.338 1.00 0.00 H new ATOM 0 HD13 LEU B 26 4.812 -11.202 -4.915 1.00 0.00 H new ATOM 0 HD21 LEU B 26 2.518 -9.147 -5.066 1.00 0.00 H new ATOM 0 HD22 LEU B 26 4.072 -8.814 -5.867 1.00 0.00 H new ATOM 0 HD23 LEU B 26 2.561 -8.788 -6.809 1.00 0.00 H new ATOM 1524 N ASP B 27 3.085 -12.571 -10.159 1.00 0.00 N ATOM 1525 CA ASP B 27 2.899 -12.531 -11.590 1.00 0.00 C ATOM 1526 C ASP B 27 2.844 -11.064 -11.981 1.00 0.00 C ATOM 1527 O ASP B 27 2.650 -10.215 -11.114 1.00 0.00 O ATOM 1528 CB ASP B 27 1.552 -13.188 -11.996 1.00 0.00 C ATOM 1529 CG ASP B 27 1.281 -14.542 -11.355 1.00 0.00 C ATOM 1530 OD1 ASP B 27 1.982 -15.526 -11.649 1.00 0.00 O ATOM 1531 OD2 ASP B 27 0.322 -14.648 -10.533 1.00 0.00 O ATOM 0 H ASP B 27 2.226 -12.760 -9.643 1.00 0.00 H new ATOM 0 HA ASP B 27 3.709 -13.069 -12.084 1.00 0.00 H new ATOM 0 HB2 ASP B 27 0.740 -12.509 -11.735 1.00 0.00 H new ATOM 0 HB3 ASP B 27 1.533 -13.305 -13.080 1.00 0.00 H new ATOM 1536 N HIS B 28 2.971 -10.766 -13.255 1.00 0.00 N ATOM 1537 CA HIS B 28 2.908 -9.380 -13.757 1.00 0.00 C ATOM 1538 C HIS B 28 1.609 -8.696 -13.299 1.00 0.00 C ATOM 1539 O HIS B 28 1.623 -7.566 -12.809 1.00 0.00 O ATOM 1540 CB HIS B 28 3.013 -9.385 -15.293 1.00 0.00 C ATOM 1541 CG HIS B 28 2.901 -8.042 -15.965 1.00 0.00 C ATOM 1542 ND1 HIS B 28 1.969 -7.761 -16.932 1.00 0.00 N ATOM 1543 CD2 HIS B 28 3.650 -6.918 -15.832 1.00 0.00 C ATOM 1544 CE1 HIS B 28 2.165 -6.517 -17.358 1.00 0.00 C ATOM 1545 NE2 HIS B 28 3.177 -5.951 -16.721 1.00 0.00 N ATOM 0 H HIS B 28 3.121 -11.464 -13.984 1.00 0.00 H new ATOM 0 HA HIS B 28 3.744 -8.813 -13.347 1.00 0.00 H new ATOM 0 HB2 HIS B 28 3.968 -9.830 -15.571 1.00 0.00 H new ATOM 0 HB3 HIS B 28 2.232 -10.034 -15.689 1.00 0.00 H new ATOM 0 HD2 HIS B 28 4.477 -6.792 -15.149 1.00 0.00 H new ATOM 0 HE1 HIS B 28 1.576 -6.033 -18.123 1.00 0.00 H new ATOM 0 HE2 HIS B 28 3.537 -5.006 -16.852 1.00 0.00 H new ATOM 1553 N ASP B 29 0.515 -9.427 -13.405 1.00 0.00 N ATOM 1554 CA ASP B 29 -0.805 -8.949 -13.013 1.00 0.00 C ATOM 1555 C ASP B 29 -0.854 -8.643 -11.519 1.00 0.00 C ATOM 1556 O ASP B 29 -1.395 -7.611 -11.107 1.00 0.00 O ATOM 1557 CB ASP B 29 -1.858 -9.978 -13.409 1.00 0.00 C ATOM 1558 CG ASP B 29 -3.226 -9.688 -12.850 1.00 0.00 C ATOM 1559 OD1 ASP B 29 -3.960 -8.863 -13.433 1.00 0.00 O ATOM 1560 OD2 ASP B 29 -3.600 -10.311 -11.851 1.00 0.00 O ATOM 0 H ASP B 29 0.514 -10.380 -13.769 1.00 0.00 H new ATOM 0 HA ASP B 29 -1.017 -8.017 -13.536 1.00 0.00 H new ATOM 0 HB2 ASP B 29 -1.921 -10.021 -14.496 1.00 0.00 H new ATOM 0 HB3 ASP B 29 -1.537 -10.963 -13.069 1.00 0.00 H new ATOM 1565 N LYS B 30 -0.229 -9.519 -10.726 1.00 0.00 N ATOM 1566 CA LYS B 30 -0.118 -9.345 -9.277 1.00 0.00 C ATOM 1567 C LYS B 30 0.548 -8.022 -8.965 1.00 0.00 C ATOM 1568 O LYS B 30 0.074 -7.262 -8.132 1.00 0.00 O ATOM 1569 CB LYS B 30 0.753 -10.434 -8.676 1.00 0.00 C ATOM 1570 CG LYS B 30 0.192 -11.830 -8.663 1.00 0.00 C ATOM 1571 CD LYS B 30 -0.791 -12.037 -7.539 1.00 0.00 C ATOM 1572 CE LYS B 30 -1.351 -13.456 -7.546 1.00 0.00 C ATOM 1573 NZ LYS B 30 -1.854 -13.874 -8.880 1.00 0.00 N ATOM 0 H LYS B 30 0.214 -10.370 -11.073 1.00 0.00 H new ATOM 0 HA LYS B 30 -1.124 -9.386 -8.860 1.00 0.00 H new ATOM 0 HB2 LYS B 30 1.696 -10.453 -9.222 1.00 0.00 H new ATOM 0 HB3 LYS B 30 0.986 -10.153 -7.649 1.00 0.00 H new ATOM 0 HG2 LYS B 30 -0.299 -12.031 -9.615 1.00 0.00 H new ATOM 0 HG3 LYS B 30 1.008 -12.547 -8.567 1.00 0.00 H new ATOM 0 HD2 LYS B 30 -0.302 -11.842 -6.585 1.00 0.00 H new ATOM 0 HD3 LYS B 30 -1.608 -11.321 -7.631 1.00 0.00 H new ATOM 0 HE2 LYS B 30 -0.574 -14.149 -7.223 1.00 0.00 H new ATOM 0 HE3 LYS B 30 -2.161 -13.525 -6.820 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 -2.510 -14.673 -8.769 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 -2.350 -13.078 -9.329 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 -1.054 -14.164 -9.477 1.00 0.00 H new ATOM 1587 N VAL B 31 1.639 -7.755 -9.679 1.00 0.00 N ATOM 1588 CA VAL B 31 2.438 -6.556 -9.497 1.00 0.00 C ATOM 1589 C VAL B 31 1.594 -5.318 -9.767 1.00 0.00 C ATOM 1590 O VAL B 31 1.614 -4.363 -8.992 1.00 0.00 O ATOM 1591 CB VAL B 31 3.684 -6.566 -10.434 1.00 0.00 C ATOM 1592 CG1 VAL B 31 4.563 -5.344 -10.225 1.00 0.00 C ATOM 1593 CG2 VAL B 31 4.487 -7.836 -10.240 1.00 0.00 C ATOM 0 H VAL B 31 1.993 -8.375 -10.407 1.00 0.00 H new ATOM 0 HA VAL B 31 2.787 -6.534 -8.465 1.00 0.00 H new ATOM 0 HB VAL B 31 3.318 -6.533 -11.460 1.00 0.00 H new ATOM 0 HG11 VAL B 31 5.419 -5.392 -10.898 1.00 0.00 H new ATOM 0 HG12 VAL B 31 3.988 -4.442 -10.434 1.00 0.00 H new ATOM 0 HG13 VAL B 31 4.914 -5.320 -9.193 1.00 0.00 H new ATOM 0 HG21 VAL B 31 5.352 -7.824 -10.903 1.00 0.00 H new ATOM 0 HG22 VAL B 31 4.823 -7.899 -9.205 1.00 0.00 H new ATOM 0 HG23 VAL B 31 3.864 -8.700 -10.472 1.00 0.00 H new ATOM 1603 N LEU B 32 0.822 -5.367 -10.832 1.00 0.00 N ATOM 1604 CA LEU B 32 -0.038 -4.260 -11.235 1.00 0.00 C ATOM 1605 C LEU B 32 -1.119 -3.999 -10.199 1.00 0.00 C ATOM 1606 O LEU B 32 -1.376 -2.856 -9.839 1.00 0.00 O ATOM 1607 CB LEU B 32 -0.664 -4.553 -12.587 1.00 0.00 C ATOM 1608 CG LEU B 32 0.315 -4.836 -13.724 1.00 0.00 C ATOM 1609 CD1 LEU B 32 -0.434 -5.120 -14.996 1.00 0.00 C ATOM 1610 CD2 LEU B 32 1.285 -3.679 -13.919 1.00 0.00 C ATOM 0 H LEU B 32 0.769 -6.177 -11.450 1.00 0.00 H new ATOM 0 HA LEU B 32 0.576 -3.363 -11.313 1.00 0.00 H new ATOM 0 HB2 LEU B 32 -1.327 -5.412 -12.481 1.00 0.00 H new ATOM 0 HB3 LEU B 32 -1.285 -3.704 -12.871 1.00 0.00 H new ATOM 0 HG LEU B 32 0.900 -5.716 -13.457 1.00 0.00 H new ATOM 0 HD11 LEU B 32 0.275 -5.320 -15.799 1.00 0.00 H new ATOM 0 HD12 LEU B 32 -1.076 -5.989 -14.854 1.00 0.00 H new ATOM 0 HD13 LEU B 32 -1.045 -4.257 -15.259 1.00 0.00 H new ATOM 0 HD21 LEU B 32 1.969 -3.911 -14.735 1.00 0.00 H new ATOM 0 HD22 LEU B 32 0.728 -2.773 -14.159 1.00 0.00 H new ATOM 0 HD23 LEU B 32 1.854 -3.523 -13.003 1.00 0.00 H new ATOM 1622 N LEU B 33 -1.715 -5.059 -9.700 1.00 0.00 N ATOM 1623 CA LEU B 33 -2.755 -4.952 -8.693 1.00 0.00 C ATOM 1624 C LEU B 33 -2.181 -4.435 -7.385 1.00 0.00 C ATOM 1625 O LEU B 33 -2.729 -3.517 -6.782 1.00 0.00 O ATOM 1626 CB LEU B 33 -3.416 -6.302 -8.475 1.00 0.00 C ATOM 1627 CG LEU B 33 -4.131 -6.899 -9.680 1.00 0.00 C ATOM 1628 CD1 LEU B 33 -4.557 -8.313 -9.378 1.00 0.00 C ATOM 1629 CD2 LEU B 33 -5.338 -6.055 -10.068 1.00 0.00 C ATOM 0 H LEU B 33 -1.496 -6.016 -9.977 1.00 0.00 H new ATOM 0 HA LEU B 33 -3.505 -4.244 -9.047 1.00 0.00 H new ATOM 0 HB2 LEU B 33 -2.654 -7.008 -8.143 1.00 0.00 H new ATOM 0 HB3 LEU B 33 -4.136 -6.205 -7.662 1.00 0.00 H new ATOM 0 HG LEU B 33 -3.439 -6.908 -10.522 1.00 0.00 H new ATOM 0 HD11 LEU B 33 -5.067 -8.732 -10.245 1.00 0.00 H new ATOM 0 HD12 LEU B 33 -3.679 -8.916 -9.147 1.00 0.00 H new ATOM 0 HD13 LEU B 33 -5.233 -8.315 -8.523 1.00 0.00 H new ATOM 0 HD21 LEU B 33 -5.832 -6.502 -10.931 1.00 0.00 H new ATOM 0 HD22 LEU B 33 -6.036 -6.012 -9.232 1.00 0.00 H new ATOM 0 HD23 LEU B 33 -5.011 -5.046 -10.319 1.00 0.00 H new ATOM 1641 N PHE B 34 -1.064 -5.015 -6.977 1.00 0.00 N ATOM 1642 CA PHE B 34 -0.384 -4.642 -5.746 1.00 0.00 C ATOM 1643 C PHE B 34 0.003 -3.175 -5.757 1.00 0.00 C ATOM 1644 O PHE B 34 -0.348 -2.435 -4.849 1.00 0.00 O ATOM 1645 CB PHE B 34 0.864 -5.520 -5.546 1.00 0.00 C ATOM 1646 CG PHE B 34 1.706 -5.156 -4.352 1.00 0.00 C ATOM 1647 CD1 PHE B 34 1.296 -5.471 -3.077 1.00 0.00 C ATOM 1648 CD2 PHE B 34 2.920 -4.513 -4.512 1.00 0.00 C ATOM 1649 CE1 PHE B 34 2.072 -5.153 -1.988 1.00 0.00 C ATOM 1650 CE2 PHE B 34 3.693 -4.190 -3.419 1.00 0.00 C ATOM 1651 CZ PHE B 34 3.263 -4.515 -2.157 1.00 0.00 C ATOM 0 H PHE B 34 -0.600 -5.762 -7.493 1.00 0.00 H new ATOM 0 HA PHE B 34 -1.071 -4.803 -4.915 1.00 0.00 H new ATOM 0 HB2 PHE B 34 0.549 -6.559 -5.448 1.00 0.00 H new ATOM 0 HB3 PHE B 34 1.482 -5.458 -6.442 1.00 0.00 H new ATOM 0 HD1 PHE B 34 0.352 -5.975 -2.930 1.00 0.00 H new ATOM 0 HD2 PHE B 34 3.265 -4.262 -5.504 1.00 0.00 H new ATOM 0 HE1 PHE B 34 1.736 -5.410 -0.994 1.00 0.00 H new ATOM 0 HE2 PHE B 34 4.636 -3.682 -3.555 1.00 0.00 H new ATOM 0 HZ PHE B 34 3.869 -4.265 -1.299 1.00 0.00 H new ATOM 1661 N SER B 35 0.680 -2.765 -6.811 1.00 0.00 N ATOM 1662 CA SER B 35 1.191 -1.417 -6.926 1.00 0.00 C ATOM 1663 C SER B 35 0.092 -0.357 -6.858 1.00 0.00 C ATOM 1664 O SER B 35 0.249 0.661 -6.182 1.00 0.00 O ATOM 1665 CB SER B 35 2.029 -1.282 -8.197 1.00 0.00 C ATOM 1666 OG SER B 35 1.331 -1.761 -9.328 1.00 0.00 O ATOM 0 H SER B 35 0.891 -3.360 -7.612 1.00 0.00 H new ATOM 0 HA SER B 35 1.831 -1.234 -6.063 1.00 0.00 H new ATOM 0 HB2 SER B 35 2.297 -0.236 -8.349 1.00 0.00 H new ATOM 0 HB3 SER B 35 2.961 -1.836 -8.081 1.00 0.00 H new ATOM 0 HG SER B 35 1.487 -2.724 -9.425 1.00 0.00 H new ATOM 1672 N ARG B 36 -1.027 -0.617 -7.510 1.00 0.00 N ATOM 1673 CA ARG B 36 -2.106 0.345 -7.533 1.00 0.00 C ATOM 1674 C ARG B 36 -2.885 0.354 -6.217 1.00 0.00 C ATOM 1675 O ARG B 36 -3.322 1.404 -5.765 1.00 0.00 O ATOM 1676 CB ARG B 36 -3.026 0.130 -8.738 1.00 0.00 C ATOM 1677 CG ARG B 36 -3.801 -1.168 -8.742 1.00 0.00 C ATOM 1678 CD ARG B 36 -4.515 -1.377 -10.063 1.00 0.00 C ATOM 1679 NE ARG B 36 -5.397 -0.239 -10.419 1.00 0.00 N ATOM 1680 CZ ARG B 36 -6.352 -0.270 -11.371 1.00 0.00 C ATOM 1681 NH1 ARG B 36 -6.512 -1.360 -12.123 1.00 0.00 N ATOM 1682 NH2 ARG B 36 -7.119 0.803 -11.600 1.00 0.00 N ATOM 0 H ARG B 36 -1.209 -1.479 -8.025 1.00 0.00 H new ATOM 0 HA ARG B 36 -1.657 1.332 -7.643 1.00 0.00 H new ATOM 0 HB2 ARG B 36 -3.735 0.956 -8.784 1.00 0.00 H new ATOM 0 HB3 ARG B 36 -2.424 0.176 -9.645 1.00 0.00 H new ATOM 0 HG2 ARG B 36 -3.122 -2.000 -8.557 1.00 0.00 H new ATOM 0 HG3 ARG B 36 -4.528 -1.163 -7.930 1.00 0.00 H new ATOM 0 HD2 ARG B 36 -3.777 -1.521 -10.852 1.00 0.00 H new ATOM 0 HD3 ARG B 36 -5.108 -2.290 -10.011 1.00 0.00 H new ATOM 0 HE ARG B 36 -5.272 0.633 -9.905 1.00 0.00 H new ATOM 0 HH11 ARG B 36 -5.912 -2.172 -11.979 1.00 0.00 H new ATOM 0 HH12 ARG B 36 -7.235 -1.382 -12.842 1.00 0.00 H new ATOM 0 HH21 ARG B 36 -6.984 1.653 -11.053 1.00 0.00 H new ATOM 0 HH22 ARG B 36 -7.839 0.771 -12.322 1.00 0.00 H new ATOM 1696 N ASP B 37 -3.011 -0.807 -5.576 1.00 0.00 N ATOM 1697 CA ASP B 37 -3.747 -0.900 -4.302 1.00 0.00 C ATOM 1698 C ASP B 37 -2.941 -0.200 -3.226 1.00 0.00 C ATOM 1699 O ASP B 37 -3.466 0.537 -2.382 1.00 0.00 O ATOM 1700 CB ASP B 37 -3.963 -2.357 -3.913 1.00 0.00 C ATOM 1701 CG ASP B 37 -5.017 -2.531 -2.837 1.00 0.00 C ATOM 1702 OD1 ASP B 37 -6.211 -2.663 -3.185 1.00 0.00 O ATOM 1703 OD2 ASP B 37 -4.688 -2.558 -1.655 1.00 0.00 O ATOM 0 H ASP B 37 -2.621 -1.690 -5.907 1.00 0.00 H new ATOM 0 HA ASP B 37 -4.723 -0.427 -4.413 1.00 0.00 H new ATOM 0 HB2 ASP B 37 -4.256 -2.924 -4.797 1.00 0.00 H new ATOM 0 HB3 ASP B 37 -3.020 -2.778 -3.563 1.00 0.00 H new ATOM 1708 N LEU B 38 -1.654 -0.409 -3.305 1.00 0.00 N ATOM 1709 CA LEU B 38 -0.683 0.205 -2.434 1.00 0.00 C ATOM 1710 C LEU B 38 -0.640 1.718 -2.653 1.00 0.00 C ATOM 1711 O LEU B 38 -0.503 2.485 -1.700 1.00 0.00 O ATOM 1712 CB LEU B 38 0.659 -0.492 -2.683 1.00 0.00 C ATOM 1713 CG LEU B 38 1.964 0.095 -2.145 1.00 0.00 C ATOM 1714 CD1 LEU B 38 1.867 0.509 -0.706 1.00 0.00 C ATOM 1715 CD2 LEU B 38 3.013 -0.962 -2.267 1.00 0.00 C ATOM 0 H LEU B 38 -1.238 -1.030 -3.998 1.00 0.00 H new ATOM 0 HA LEU B 38 -0.949 0.080 -1.384 1.00 0.00 H new ATOM 0 HB2 LEU B 38 0.574 -1.502 -2.281 1.00 0.00 H new ATOM 0 HB3 LEU B 38 0.773 -0.588 -3.763 1.00 0.00 H new ATOM 0 HG LEU B 38 2.201 0.989 -2.721 1.00 0.00 H new ATOM 0 HD11 LEU B 38 2.823 0.918 -0.380 1.00 0.00 H new ATOM 0 HD12 LEU B 38 1.092 1.267 -0.597 1.00 0.00 H new ATOM 0 HD13 LEU B 38 1.615 -0.357 -0.094 1.00 0.00 H new ATOM 0 HD21 LEU B 38 3.962 -0.578 -1.892 1.00 0.00 H new ATOM 0 HD22 LEU B 38 2.719 -1.835 -1.685 1.00 0.00 H new ATOM 0 HD23 LEU B 38 3.125 -1.245 -3.314 1.00 0.00 H new ATOM 1727 N ASP B 39 -0.803 2.134 -3.894 1.00 0.00 N ATOM 1728 CA ASP B 39 -0.840 3.554 -4.232 1.00 0.00 C ATOM 1729 C ASP B 39 -2.040 4.185 -3.530 1.00 0.00 C ATOM 1730 O ASP B 39 -1.903 5.186 -2.832 1.00 0.00 O ATOM 1731 CB ASP B 39 -0.961 3.727 -5.748 1.00 0.00 C ATOM 1732 CG ASP B 39 -0.648 5.125 -6.233 1.00 0.00 C ATOM 1733 OD1 ASP B 39 -1.536 5.996 -6.277 1.00 0.00 O ATOM 1734 OD2 ASP B 39 0.509 5.358 -6.633 1.00 0.00 O ATOM 0 H ASP B 39 -0.913 1.509 -4.693 1.00 0.00 H new ATOM 0 HA ASP B 39 0.078 4.042 -3.905 1.00 0.00 H new ATOM 0 HB2 ASP B 39 -0.288 3.024 -6.239 1.00 0.00 H new ATOM 0 HB3 ASP B 39 -1.974 3.465 -6.054 1.00 0.00 H new ATOM 1739 N LYS B 40 -3.197 3.510 -3.657 1.00 0.00 N ATOM 1740 CA LYS B 40 -4.463 3.916 -3.015 1.00 0.00 C ATOM 1741 C LYS B 40 -4.293 4.075 -1.507 1.00 0.00 C ATOM 1742 O LYS B 40 -4.791 5.033 -0.915 1.00 0.00 O ATOM 1743 CB LYS B 40 -5.555 2.867 -3.267 1.00 0.00 C ATOM 1744 CG LYS B 40 -5.969 2.698 -4.718 1.00 0.00 C ATOM 1745 CD LYS B 40 -6.908 1.511 -4.912 1.00 0.00 C ATOM 1746 CE LYS B 40 -8.228 1.670 -4.169 1.00 0.00 C ATOM 1747 NZ LYS B 40 -9.096 0.490 -4.353 1.00 0.00 N ATOM 0 H LYS B 40 -3.281 2.659 -4.213 1.00 0.00 H new ATOM 0 HA LYS B 40 -4.751 4.873 -3.451 1.00 0.00 H new ATOM 0 HB2 LYS B 40 -5.206 1.905 -2.892 1.00 0.00 H new ATOM 0 HB3 LYS B 40 -6.436 3.136 -2.684 1.00 0.00 H new ATOM 0 HG2 LYS B 40 -6.460 3.608 -5.063 1.00 0.00 H new ATOM 0 HG3 LYS B 40 -5.081 2.562 -5.335 1.00 0.00 H new ATOM 0 HD2 LYS B 40 -7.109 1.384 -5.976 1.00 0.00 H new ATOM 0 HD3 LYS B 40 -6.412 0.603 -4.570 1.00 0.00 H new ATOM 0 HE2 LYS B 40 -8.034 1.818 -3.107 1.00 0.00 H new ATOM 0 HE3 LYS B 40 -8.743 2.562 -4.526 1.00 0.00 H new ATOM 0 HZ1 LYS B 40 -9.987 0.630 -3.835 1.00 0.00 H new ATOM 0 HZ2 LYS B 40 -9.301 0.364 -5.365 1.00 0.00 H new ATOM 0 HZ3 LYS B 40 -8.613 -0.356 -3.989 1.00 0.00 H new ATOM 1761 N LEU B 41 -3.583 3.136 -0.894 1.00 0.00 N ATOM 1762 CA LEU B 41 -3.342 3.159 0.546 1.00 0.00 C ATOM 1763 C LEU B 41 -2.562 4.399 0.939 1.00 0.00 C ATOM 1764 O LEU B 41 -2.881 5.062 1.929 1.00 0.00 O ATOM 1765 CB LEU B 41 -2.601 1.900 1.002 1.00 0.00 C ATOM 1766 CG LEU B 41 -2.241 1.830 2.492 1.00 0.00 C ATOM 1767 CD1 LEU B 41 -3.483 1.928 3.366 1.00 0.00 C ATOM 1768 CD2 LEU B 41 -1.472 0.560 2.792 1.00 0.00 C ATOM 0 H LEU B 41 -3.160 2.342 -1.375 1.00 0.00 H new ATOM 0 HA LEU B 41 -4.311 3.183 1.045 1.00 0.00 H new ATOM 0 HB2 LEU B 41 -3.214 1.033 0.756 1.00 0.00 H new ATOM 0 HB3 LEU B 41 -1.682 1.814 0.423 1.00 0.00 H new ATOM 0 HG LEU B 41 -1.605 2.684 2.725 1.00 0.00 H new ATOM 0 HD11 LEU B 41 -3.194 1.875 4.416 1.00 0.00 H new ATOM 0 HD12 LEU B 41 -3.988 2.875 3.176 1.00 0.00 H new ATOM 0 HD13 LEU B 41 -4.158 1.104 3.133 1.00 0.00 H new ATOM 0 HD21 LEU B 41 -1.225 0.526 3.853 1.00 0.00 H new ATOM 0 HD22 LEU B 41 -2.083 -0.305 2.534 1.00 0.00 H new ATOM 0 HD23 LEU B 41 -0.554 0.543 2.205 1.00 0.00 H new ATOM 1780 N ILE B 42 -1.573 4.724 0.148 1.00 0.00 N ATOM 1781 CA ILE B 42 -0.768 5.894 0.394 1.00 0.00 C ATOM 1782 C ILE B 42 -1.632 7.142 0.220 1.00 0.00 C ATOM 1783 O ILE B 42 -1.704 7.972 1.110 1.00 0.00 O ATOM 1784 CB ILE B 42 0.473 5.940 -0.537 1.00 0.00 C ATOM 1785 CG1 ILE B 42 1.326 4.686 -0.329 1.00 0.00 C ATOM 1786 CG2 ILE B 42 1.305 7.189 -0.270 1.00 0.00 C ATOM 1787 CD1 ILE B 42 2.537 4.603 -1.223 1.00 0.00 C ATOM 0 H ILE B 42 -1.303 4.191 -0.679 1.00 0.00 H new ATOM 0 HA ILE B 42 -0.393 5.854 1.417 1.00 0.00 H new ATOM 0 HB ILE B 42 0.129 5.973 -1.571 1.00 0.00 H new ATOM 0 HG12 ILE B 42 1.653 4.652 0.710 1.00 0.00 H new ATOM 0 HG13 ILE B 42 0.704 3.806 -0.496 1.00 0.00 H new ATOM 0 HG21 ILE B 42 2.169 7.199 -0.934 1.00 0.00 H new ATOM 0 HG22 ILE B 42 0.698 8.076 -0.451 1.00 0.00 H new ATOM 0 HG23 ILE B 42 1.644 7.186 0.766 1.00 0.00 H new ATOM 0 HD11 ILE B 42 3.084 3.685 -1.010 1.00 0.00 H new ATOM 0 HD12 ILE B 42 2.220 4.603 -2.266 1.00 0.00 H new ATOM 0 HD13 ILE B 42 3.184 5.461 -1.040 1.00 0.00 H new ATOM 1799 N ASN B 43 -2.337 7.206 -0.896 1.00 0.00 N ATOM 1800 CA ASN B 43 -3.265 8.315 -1.239 1.00 0.00 C ATOM 1801 C ASN B 43 -4.293 8.551 -0.141 1.00 0.00 C ATOM 1802 O ASN B 43 -4.728 9.682 0.082 1.00 0.00 O ATOM 1803 CB ASN B 43 -4.007 8.032 -2.552 1.00 0.00 C ATOM 1804 CG ASN B 43 -3.091 7.897 -3.744 1.00 0.00 C ATOM 1805 OD1 ASN B 43 -2.048 8.550 -3.828 1.00 0.00 O ATOM 1806 ND2 ASN B 43 -3.462 7.050 -4.668 1.00 0.00 N ATOM 0 H ASN B 43 -2.293 6.484 -1.615 1.00 0.00 H new ATOM 0 HA ASN B 43 -2.650 9.208 -1.350 1.00 0.00 H new ATOM 0 HB2 ASN B 43 -4.586 7.115 -2.443 1.00 0.00 H new ATOM 0 HB3 ASN B 43 -4.718 8.837 -2.739 1.00 0.00 H new ATOM 0 HD21 ASN B 43 -2.881 6.911 -5.495 1.00 0.00 H new ATOM 0 HD22 ASN B 43 -4.332 6.528 -4.562 1.00 0.00 H new ATOM 1813 N LYS B 44 -4.689 7.480 0.525 1.00 0.00 N ATOM 1814 CA LYS B 44 -5.607 7.543 1.650 1.00 0.00 C ATOM 1815 C LYS B 44 -4.988 8.383 2.766 1.00 0.00 C ATOM 1816 O LYS B 44 -5.581 9.354 3.231 1.00 0.00 O ATOM 1817 CB LYS B 44 -5.872 6.127 2.175 1.00 0.00 C ATOM 1818 CG LYS B 44 -6.851 6.054 3.345 1.00 0.00 C ATOM 1819 CD LYS B 44 -6.842 4.673 4.004 1.00 0.00 C ATOM 1820 CE LYS B 44 -7.186 3.560 3.027 1.00 0.00 C ATOM 1821 NZ LYS B 44 -7.192 2.238 3.684 1.00 0.00 N ATOM 0 H LYS B 44 -4.380 6.535 0.299 1.00 0.00 H new ATOM 0 HA LYS B 44 -6.544 7.995 1.326 1.00 0.00 H new ATOM 0 HB2 LYS B 44 -6.257 5.517 1.358 1.00 0.00 H new ATOM 0 HB3 LYS B 44 -4.925 5.685 2.483 1.00 0.00 H new ATOM 0 HG2 LYS B 44 -6.592 6.812 4.084 1.00 0.00 H new ATOM 0 HG3 LYS B 44 -7.857 6.283 2.993 1.00 0.00 H new ATOM 0 HD2 LYS B 44 -5.858 4.485 4.432 1.00 0.00 H new ATOM 0 HD3 LYS B 44 -7.556 4.662 4.828 1.00 0.00 H new ATOM 0 HE2 LYS B 44 -8.165 3.752 2.587 1.00 0.00 H new ATOM 0 HE3 LYS B 44 -6.464 3.557 2.210 1.00 0.00 H new ATOM 0 HZ1 LYS B 44 -7.431 1.505 2.986 1.00 0.00 H new ATOM 0 HZ2 LYS B 44 -6.251 2.044 4.082 1.00 0.00 H new ATOM 0 HZ3 LYS B 44 -7.899 2.233 4.447 1.00 0.00 H new ATOM 1835 N PHE B 45 -3.766 8.032 3.127 1.00 0.00 N ATOM 1836 CA PHE B 45 -3.054 8.672 4.216 1.00 0.00 C ATOM 1837 C PHE B 45 -2.484 10.036 3.846 1.00 0.00 C ATOM 1838 O PHE B 45 -2.281 10.895 4.714 1.00 0.00 O ATOM 1839 CB PHE B 45 -1.978 7.754 4.776 1.00 0.00 C ATOM 1840 CG PHE B 45 -2.541 6.660 5.630 1.00 0.00 C ATOM 1841 CD1 PHE B 45 -3.036 5.492 5.076 1.00 0.00 C ATOM 1842 CD2 PHE B 45 -2.597 6.819 6.994 1.00 0.00 C ATOM 1843 CE1 PHE B 45 -3.568 4.504 5.877 1.00 0.00 C ATOM 1844 CE2 PHE B 45 -3.132 5.838 7.801 1.00 0.00 C ATOM 1845 CZ PHE B 45 -3.618 4.677 7.240 1.00 0.00 C ATOM 0 H PHE B 45 -3.238 7.290 2.669 1.00 0.00 H new ATOM 0 HA PHE B 45 -3.791 8.859 4.997 1.00 0.00 H new ATOM 0 HB2 PHE B 45 -1.416 7.314 3.952 1.00 0.00 H new ATOM 0 HB3 PHE B 45 -1.273 8.342 5.364 1.00 0.00 H new ATOM 0 HD1 PHE B 45 -3.005 5.353 4.005 1.00 0.00 H new ATOM 0 HD2 PHE B 45 -2.216 7.726 7.440 1.00 0.00 H new ATOM 0 HE1 PHE B 45 -3.945 3.594 5.434 1.00 0.00 H new ATOM 0 HE2 PHE B 45 -3.170 5.979 8.871 1.00 0.00 H new ATOM 0 HZ PHE B 45 -4.037 3.905 7.869 1.00 0.00 H new ATOM 1855 N MET B 46 -2.216 10.236 2.565 1.00 0.00 N ATOM 1856 CA MET B 46 -1.757 11.538 2.075 1.00 0.00 C ATOM 1857 C MET B 46 -2.955 12.459 1.980 1.00 0.00 C ATOM 1858 O MET B 46 -2.828 13.671 1.954 1.00 0.00 O ATOM 1859 CB MET B 46 -1.148 11.438 0.669 1.00 0.00 C ATOM 1860 CG MET B 46 -0.083 10.384 0.484 1.00 0.00 C ATOM 1861 SD MET B 46 0.799 10.554 -1.078 1.00 0.00 S ATOM 1862 CE MET B 46 1.708 12.057 -0.752 1.00 0.00 C ATOM 0 H MET B 46 -2.306 9.520 1.844 1.00 0.00 H new ATOM 0 HA MET B 46 -0.999 11.908 2.765 1.00 0.00 H new ATOM 0 HB2 MET B 46 -1.952 11.243 -0.041 1.00 0.00 H new ATOM 0 HB3 MET B 46 -0.722 12.407 0.409 1.00 0.00 H new ATOM 0 HG2 MET B 46 0.629 10.444 1.307 1.00 0.00 H new ATOM 0 HG3 MET B 46 -0.542 9.397 0.532 1.00 0.00 H new ATOM 0 HE1 MET B 46 2.721 11.962 -1.143 1.00 0.00 H new ATOM 0 HE2 MET B 46 1.209 12.896 -1.237 1.00 0.00 H new ATOM 0 HE3 MET B 46 1.749 12.231 0.323 1.00 0.00 H new