USER MOD reduce.3.24.130724 H: found=0, std=0, add=764, rem=0, adj=16 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 :FLIP no HD1:sc= -0.399 F(o=-2.2,f=-1.6) USER MOD Set 1.2: B 46 MET CE :methyl 147:sc= -1.23 (180deg=-2.22) USER MOD Set 2.1: A 46 MET CE :methyl 166:sc= -2.65 (180deg=-3.98!) USER MOD Set 2.2: B 24 HIS : no HD1:sc= -0.856 K(o=-3.5,f=-5.7!) USER MOD Set 3.1: A 7 LYS NZ :NH3+ 177:sc= 2.25 (180deg=1.09) USER MOD Set 3.2: A 43 ASN : amide:sc= 0.903 K(o=3.2,f=-10!) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= 0 X(o=0,f=-0.023) USER MOD Single : A 13 LYS NZ :NH3+ 177:sc= 1.79 (180deg=1.64) USER MOD Single : A 14 LYS NZ :NH3+ 176:sc= 1.09 (180deg=1) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 28 HIS : no HD1:sc= -0.693 X(o=-0.69,f=-0.8) USER MOD Single : A 30 LYS NZ :NH3+ -139:sc= 1.14 (180deg=0.827) USER MOD Single : A 35 SER OG : rot -77:sc= 1.27 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0402) USER MOD Single : B 7 LYS NZ :NH3+ -179:sc= 1.17 (180deg=1.11) USER MOD Single : B 8 ASN : amide:sc= -0.133 K(o=-0.13,f=-0.99!) USER MOD Single : B 9 LYS NZ :NH3+ -166:sc= -0.0292 (180deg=-0.295) USER MOD Single : B 12 ASN : amide:sc= -0.0205 X(o=-0.021,f=0) USER MOD Single : B 13 LYS NZ :NH3+ -179:sc= 2.42 (180deg=2.42) USER MOD Single : B 14 LYS NZ :NH3+ -178:sc= 0.997 (180deg=0.811) USER MOD Single : B 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 19 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : B 28 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 30 LYS NZ :NH3+ 164:sc= 1.15 (180deg=0.824) USER MOD Single : B 35 SER OG : rot -89:sc= 1.21 USER MOD Single : B 40 LYS NZ :NH3+ -172:sc= 1.29 (180deg=1.17) USER MOD Single : B 43 ASN : amide:sc= 1.14 K(o=1.1,f=-0.095) USER MOD Single : B 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 59 N GLN A 5 15.682 -13.760 3.779 1.00 0.00 N ATOM 60 CA GLN A 5 16.533 -12.721 3.233 1.00 0.00 C ATOM 61 C GLN A 5 15.762 -11.853 2.232 1.00 0.00 C ATOM 62 O GLN A 5 15.927 -10.632 2.189 1.00 0.00 O ATOM 63 CB GLN A 5 17.771 -13.348 2.573 1.00 0.00 C ATOM 64 CG GLN A 5 17.492 -14.185 1.338 1.00 0.00 C ATOM 65 CD GLN A 5 18.730 -14.835 0.768 1.00 0.00 C ATOM 66 OE1 GLN A 5 19.080 -15.965 1.111 1.00 0.00 O ATOM 67 NE2 GLN A 5 19.428 -14.122 -0.063 1.00 0.00 N ATOM 0 HA GLN A 5 16.861 -12.076 4.048 1.00 0.00 H new ATOM 0 HB2 GLN A 5 18.462 -12.550 2.303 1.00 0.00 H new ATOM 0 HB3 GLN A 5 18.278 -13.973 3.309 1.00 0.00 H new ATOM 0 HG2 GLN A 5 16.766 -14.958 1.588 1.00 0.00 H new ATOM 0 HG3 GLN A 5 17.036 -13.554 0.575 1.00 0.00 H new ATOM 0 HE21 GLN A 5 19.110 -13.189 -0.327 1.00 0.00 H new ATOM 0 HE22 GLN A 5 20.294 -14.495 -0.452 1.00 0.00 H new ATOM 76 N LEU A 6 14.890 -12.489 1.467 1.00 0.00 N ATOM 77 CA LEU A 6 14.096 -11.811 0.472 1.00 0.00 C ATOM 78 C LEU A 6 13.056 -10.958 1.190 1.00 0.00 C ATOM 79 O LEU A 6 12.884 -9.776 0.887 1.00 0.00 O ATOM 80 CB LEU A 6 13.473 -12.868 -0.497 1.00 0.00 C ATOM 81 CG LEU A 6 12.665 -12.379 -1.732 1.00 0.00 C ATOM 82 CD1 LEU A 6 11.290 -11.871 -1.357 1.00 0.00 C ATOM 83 CD2 LEU A 6 13.435 -11.311 -2.499 1.00 0.00 C ATOM 0 H LEU A 6 14.717 -13.493 1.524 1.00 0.00 H new ATOM 0 HA LEU A 6 14.699 -11.143 -0.144 1.00 0.00 H new ATOM 0 HB2 LEU A 6 14.285 -13.496 -0.863 1.00 0.00 H new ATOM 0 HB3 LEU A 6 12.816 -13.508 0.093 1.00 0.00 H new ATOM 0 HG LEU A 6 12.525 -13.245 -2.378 1.00 0.00 H new ATOM 0 HD11 LEU A 6 10.767 -11.541 -2.255 1.00 0.00 H new ATOM 0 HD12 LEU A 6 10.724 -12.671 -0.880 1.00 0.00 H new ATOM 0 HD13 LEU A 6 11.387 -11.034 -0.666 1.00 0.00 H new ATOM 0 HD21 LEU A 6 12.848 -10.986 -3.358 1.00 0.00 H new ATOM 0 HD22 LEU A 6 13.625 -10.459 -1.846 1.00 0.00 H new ATOM 0 HD23 LEU A 6 14.384 -11.723 -2.843 1.00 0.00 H new ATOM 95 N LYS A 7 12.413 -11.557 2.175 1.00 0.00 N ATOM 96 CA LYS A 7 11.440 -10.874 3.001 1.00 0.00 C ATOM 97 C LYS A 7 12.062 -9.739 3.757 1.00 0.00 C ATOM 98 O LYS A 7 11.437 -8.714 3.943 1.00 0.00 O ATOM 99 CB LYS A 7 10.762 -11.848 3.954 1.00 0.00 C ATOM 100 CG LYS A 7 9.372 -12.232 3.511 1.00 0.00 C ATOM 101 CD LYS A 7 8.384 -11.083 3.732 1.00 0.00 C ATOM 102 CE LYS A 7 7.960 -10.976 5.183 1.00 0.00 C ATOM 103 NZ LYS A 7 6.919 -9.940 5.388 1.00 0.00 N ATOM 0 H LYS A 7 12.553 -12.536 2.424 1.00 0.00 H new ATOM 0 HA LYS A 7 10.682 -10.455 2.339 1.00 0.00 H new ATOM 0 HB2 LYS A 7 11.372 -12.747 4.041 1.00 0.00 H new ATOM 0 HB3 LYS A 7 10.711 -11.401 4.947 1.00 0.00 H new ATOM 0 HG2 LYS A 7 9.386 -12.505 2.456 1.00 0.00 H new ATOM 0 HG3 LYS A 7 9.041 -13.111 4.064 1.00 0.00 H new ATOM 0 HD2 LYS A 7 8.841 -10.145 3.417 1.00 0.00 H new ATOM 0 HD3 LYS A 7 7.504 -11.235 3.107 1.00 0.00 H new ATOM 0 HE2 LYS A 7 7.582 -11.941 5.521 1.00 0.00 H new ATOM 0 HE3 LYS A 7 8.829 -10.742 5.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 6.624 -9.937 6.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 7.304 -9.007 5.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 6.098 -10.148 4.784 1.00 0.00 H new ATOM 117 N ASN A 8 13.297 -9.924 4.167 1.00 0.00 N ATOM 118 CA ASN A 8 14.039 -8.905 4.888 1.00 0.00 C ATOM 119 C ASN A 8 14.186 -7.655 4.043 1.00 0.00 C ATOM 120 O ASN A 8 13.913 -6.558 4.512 1.00 0.00 O ATOM 121 CB ASN A 8 15.416 -9.433 5.326 1.00 0.00 C ATOM 122 CG ASN A 8 16.291 -8.391 6.015 1.00 0.00 C ATOM 123 OD1 ASN A 8 15.804 -7.477 6.683 1.00 0.00 O ATOM 124 ND2 ASN A 8 17.581 -8.532 5.871 1.00 0.00 N ATOM 0 H ASN A 8 13.819 -10.786 4.011 1.00 0.00 H new ATOM 0 HA ASN A 8 13.477 -8.648 5.786 1.00 0.00 H new ATOM 0 HB2 ASN A 8 15.272 -10.276 6.002 1.00 0.00 H new ATOM 0 HB3 ASN A 8 15.943 -9.813 4.451 1.00 0.00 H new ATOM 0 HD21 ASN A 8 18.219 -7.874 6.319 1.00 0.00 H new ATOM 0 HD22 ASN A 8 17.951 -9.300 5.311 1.00 0.00 H new ATOM 131 N LYS A 9 14.574 -7.831 2.784 1.00 0.00 N ATOM 132 CA LYS A 9 14.727 -6.704 1.861 1.00 0.00 C ATOM 133 C LYS A 9 13.382 -6.009 1.667 1.00 0.00 C ATOM 134 O LYS A 9 13.317 -4.776 1.608 1.00 0.00 O ATOM 135 CB LYS A 9 15.241 -7.172 0.496 1.00 0.00 C ATOM 136 CG LYS A 9 16.606 -7.842 0.494 1.00 0.00 C ATOM 137 CD LYS A 9 17.711 -6.895 0.922 1.00 0.00 C ATOM 138 CE LYS A 9 19.064 -7.570 0.813 1.00 0.00 C ATOM 139 NZ LYS A 9 20.165 -6.676 1.203 1.00 0.00 N ATOM 0 H LYS A 9 14.789 -8.741 2.377 1.00 0.00 H new ATOM 0 HA LYS A 9 15.451 -6.014 2.293 1.00 0.00 H new ATOM 0 HB2 LYS A 9 14.515 -7.868 0.076 1.00 0.00 H new ATOM 0 HB3 LYS A 9 15.280 -6.311 -0.171 1.00 0.00 H new ATOM 0 HG2 LYS A 9 16.587 -8.702 1.164 1.00 0.00 H new ATOM 0 HG3 LYS A 9 16.821 -8.221 -0.505 1.00 0.00 H new ATOM 0 HD2 LYS A 9 17.693 -6.001 0.298 1.00 0.00 H new ATOM 0 HD3 LYS A 9 17.542 -6.571 1.949 1.00 0.00 H new ATOM 0 HE2 LYS A 9 19.077 -8.457 1.446 1.00 0.00 H new ATOM 0 HE3 LYS A 9 19.218 -7.907 -0.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 21.070 -7.180 1.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 20.170 -5.841 0.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 20.034 -6.374 2.189 1.00 0.00 H new ATOM 153 N ILE A 10 12.324 -6.815 1.563 1.00 0.00 N ATOM 154 CA ILE A 10 10.964 -6.312 1.430 1.00 0.00 C ATOM 155 C ILE A 10 10.585 -5.478 2.643 1.00 0.00 C ATOM 156 O ILE A 10 10.179 -4.334 2.495 1.00 0.00 O ATOM 157 CB ILE A 10 9.932 -7.464 1.207 1.00 0.00 C ATOM 158 CG1 ILE A 10 10.179 -8.122 -0.153 1.00 0.00 C ATOM 159 CG2 ILE A 10 8.485 -6.964 1.318 1.00 0.00 C ATOM 160 CD1 ILE A 10 9.217 -9.234 -0.490 1.00 0.00 C ATOM 0 H ILE A 10 12.390 -7.833 1.569 1.00 0.00 H new ATOM 0 HA ILE A 10 10.935 -5.678 0.544 1.00 0.00 H new ATOM 0 HB ILE A 10 10.073 -8.204 1.994 1.00 0.00 H new ATOM 0 HG12 ILE A 10 10.119 -7.359 -0.929 1.00 0.00 H new ATOM 0 HG13 ILE A 10 11.194 -8.518 -0.173 1.00 0.00 H new ATOM 0 HG21 ILE A 10 7.799 -7.796 1.157 1.00 0.00 H new ATOM 0 HG22 ILE A 10 8.320 -6.545 2.311 1.00 0.00 H new ATOM 0 HG23 ILE A 10 8.307 -6.196 0.566 1.00 0.00 H new ATOM 0 HD11 ILE A 10 9.464 -9.644 -1.469 1.00 0.00 H new ATOM 0 HD12 ILE A 10 9.291 -10.020 0.262 1.00 0.00 H new ATOM 0 HD13 ILE A 10 8.200 -8.843 -0.506 1.00 0.00 H new ATOM 172 N GLU A 11 10.759 -6.047 3.838 1.00 0.00 N ATOM 173 CA GLU A 11 10.479 -5.342 5.089 1.00 0.00 C ATOM 174 C GLU A 11 11.243 -4.043 5.116 1.00 0.00 C ATOM 175 O GLU A 11 10.670 -2.986 5.317 1.00 0.00 O ATOM 176 CB GLU A 11 10.887 -6.190 6.308 1.00 0.00 C ATOM 177 CG GLU A 11 10.152 -7.514 6.447 1.00 0.00 C ATOM 178 CD GLU A 11 8.674 -7.352 6.622 1.00 0.00 C ATOM 179 OE1 GLU A 11 8.217 -7.183 7.756 1.00 0.00 O ATOM 180 OE2 GLU A 11 7.922 -7.395 5.630 1.00 0.00 O ATOM 0 H GLU A 11 11.095 -7.002 3.965 1.00 0.00 H new ATOM 0 HA GLU A 11 9.407 -5.152 5.140 1.00 0.00 H new ATOM 0 HB2 GLU A 11 11.957 -6.390 6.250 1.00 0.00 H new ATOM 0 HB3 GLU A 11 10.721 -5.603 7.211 1.00 0.00 H new ATOM 0 HG2 GLU A 11 10.342 -8.122 5.563 1.00 0.00 H new ATOM 0 HG3 GLU A 11 10.555 -8.058 7.301 1.00 0.00 H new ATOM 187 N ASN A 12 12.515 -4.153 4.821 1.00 0.00 N ATOM 188 CA ASN A 12 13.469 -3.056 4.828 1.00 0.00 C ATOM 189 C ASN A 12 13.000 -1.900 3.940 1.00 0.00 C ATOM 190 O ASN A 12 12.918 -0.751 4.381 1.00 0.00 O ATOM 191 CB ASN A 12 14.797 -3.568 4.284 1.00 0.00 C ATOM 192 CG ASN A 12 15.940 -2.618 4.479 1.00 0.00 C ATOM 193 OD1 ASN A 12 16.163 -1.710 3.688 1.00 0.00 O ATOM 194 ND2 ASN A 12 16.724 -2.884 5.463 1.00 0.00 N ATOM 0 H ASN A 12 12.938 -5.043 4.558 1.00 0.00 H new ATOM 0 HA ASN A 12 13.568 -2.692 5.851 1.00 0.00 H new ATOM 0 HB2 ASN A 12 15.037 -4.514 4.769 1.00 0.00 H new ATOM 0 HB3 ASN A 12 14.687 -3.775 3.219 1.00 0.00 H new ATOM 0 HD21 ASN A 12 17.568 -2.330 5.607 1.00 0.00 H new ATOM 0 HD22 ASN A 12 16.502 -3.649 6.100 1.00 0.00 H new ATOM 201 N LYS A 13 12.662 -2.226 2.708 1.00 0.00 N ATOM 202 CA LYS A 13 12.292 -1.237 1.708 1.00 0.00 C ATOM 203 C LYS A 13 10.936 -0.623 2.029 1.00 0.00 C ATOM 204 O LYS A 13 10.730 0.587 1.885 1.00 0.00 O ATOM 205 CB LYS A 13 12.260 -1.902 0.343 1.00 0.00 C ATOM 206 CG LYS A 13 12.204 -0.943 -0.825 1.00 0.00 C ATOM 207 CD LYS A 13 13.436 -0.046 -0.880 1.00 0.00 C ATOM 208 CE LYS A 13 14.722 -0.842 -0.942 1.00 0.00 C ATOM 209 NZ LYS A 13 15.896 0.025 -1.115 1.00 0.00 N ATOM 0 H LYS A 13 12.635 -3.187 2.368 1.00 0.00 H new ATOM 0 HA LYS A 13 13.030 -0.435 1.708 1.00 0.00 H new ATOM 0 HB2 LYS A 13 13.145 -2.529 0.239 1.00 0.00 H new ATOM 0 HB3 LYS A 13 11.394 -2.562 0.296 1.00 0.00 H new ATOM 0 HG2 LYS A 13 12.123 -1.506 -1.755 1.00 0.00 H new ATOM 0 HG3 LYS A 13 11.309 -0.326 -0.747 1.00 0.00 H new ATOM 0 HD2 LYS A 13 13.371 0.604 -1.752 1.00 0.00 H new ATOM 0 HD3 LYS A 13 13.453 0.600 -0.002 1.00 0.00 H new ATOM 0 HE2 LYS A 13 14.833 -1.425 -0.027 1.00 0.00 H new ATOM 0 HE3 LYS A 13 14.670 -1.552 -1.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 16.760 -0.554 -1.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 15.828 0.524 -2.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 15.932 0.719 -0.341 1.00 0.00 H new ATOM 223 N LYS A 14 10.033 -1.470 2.466 1.00 0.00 N ATOM 224 CA LYS A 14 8.706 -1.080 2.894 1.00 0.00 C ATOM 225 C LYS A 14 8.822 -0.064 4.042 1.00 0.00 C ATOM 226 O LYS A 14 8.164 0.963 4.042 1.00 0.00 O ATOM 227 CB LYS A 14 7.967 -2.358 3.335 1.00 0.00 C ATOM 228 CG LYS A 14 6.633 -2.163 4.041 1.00 0.00 C ATOM 229 CD LYS A 14 6.181 -3.452 4.738 1.00 0.00 C ATOM 230 CE LYS A 14 6.990 -3.720 5.998 1.00 0.00 C ATOM 231 NZ LYS A 14 6.692 -5.044 6.610 1.00 0.00 N ATOM 0 H LYS A 14 10.203 -2.473 2.536 1.00 0.00 H new ATOM 0 HA LYS A 14 8.147 -0.602 2.090 1.00 0.00 H new ATOM 0 HB2 LYS A 14 7.799 -2.976 2.453 1.00 0.00 H new ATOM 0 HB3 LYS A 14 8.625 -2.921 3.998 1.00 0.00 H new ATOM 0 HG2 LYS A 14 6.720 -1.361 4.774 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.878 -1.853 3.318 1.00 0.00 H new ATOM 0 HD2 LYS A 14 5.124 -3.377 4.993 1.00 0.00 H new ATOM 0 HD3 LYS A 14 6.285 -4.293 4.052 1.00 0.00 H new ATOM 0 HE2 LYS A 14 8.052 -3.667 5.759 1.00 0.00 H new ATOM 0 HE3 LYS A 14 6.788 -2.935 6.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 7.320 -5.199 7.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 5.702 -5.065 6.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 6.846 -5.794 5.906 1.00 0.00 H new ATOM 245 N LYS A 15 9.705 -0.356 4.975 1.00 0.00 N ATOM 246 CA LYS A 15 9.984 0.505 6.126 1.00 0.00 C ATOM 247 C LYS A 15 10.575 1.835 5.704 1.00 0.00 C ATOM 248 O LYS A 15 10.197 2.883 6.257 1.00 0.00 O ATOM 249 CB LYS A 15 10.901 -0.198 7.117 1.00 0.00 C ATOM 250 CG LYS A 15 10.247 -1.365 7.838 1.00 0.00 C ATOM 251 CD LYS A 15 11.271 -2.213 8.573 1.00 0.00 C ATOM 252 CE LYS A 15 11.994 -1.435 9.657 1.00 0.00 C ATOM 253 NZ LYS A 15 13.048 -2.240 10.303 1.00 0.00 N ATOM 0 H LYS A 15 10.262 -1.210 4.962 1.00 0.00 H new ATOM 0 HA LYS A 15 9.032 0.709 6.617 1.00 0.00 H new ATOM 0 HB2 LYS A 15 11.783 -0.558 6.588 1.00 0.00 H new ATOM 0 HB3 LYS A 15 11.245 0.526 7.855 1.00 0.00 H new ATOM 0 HG2 LYS A 15 9.510 -0.988 8.547 1.00 0.00 H new ATOM 0 HG3 LYS A 15 9.711 -1.984 7.118 1.00 0.00 H new ATOM 0 HD2 LYS A 15 10.773 -3.075 9.018 1.00 0.00 H new ATOM 0 HD3 LYS A 15 11.999 -2.599 7.859 1.00 0.00 H new ATOM 0 HE2 LYS A 15 12.436 -0.537 9.226 1.00 0.00 H new ATOM 0 HE3 LYS A 15 11.276 -1.107 10.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 13.518 -1.672 11.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 12.623 -3.084 10.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 13.747 -2.532 9.591 1.00 0.00 H new ATOM 267 N GLU A 16 11.491 1.797 4.727 1.00 0.00 N ATOM 268 CA GLU A 16 12.069 3.017 4.165 1.00 0.00 C ATOM 269 C GLU A 16 10.956 3.913 3.622 1.00 0.00 C ATOM 270 O GLU A 16 10.958 5.138 3.823 1.00 0.00 O ATOM 271 CB GLU A 16 13.039 2.723 3.012 1.00 0.00 C ATOM 272 CG GLU A 16 14.363 2.065 3.345 1.00 0.00 C ATOM 273 CD GLU A 16 15.267 2.077 2.123 1.00 0.00 C ATOM 274 OE1 GLU A 16 15.734 3.171 1.740 1.00 0.00 O ATOM 275 OE2 GLU A 16 15.502 1.030 1.493 1.00 0.00 O ATOM 0 H GLU A 16 11.845 0.935 4.313 1.00 0.00 H new ATOM 0 HA GLU A 16 12.617 3.507 4.970 1.00 0.00 H new ATOM 0 HB2 GLU A 16 12.521 2.087 2.294 1.00 0.00 H new ATOM 0 HB3 GLU A 16 13.252 3.665 2.507 1.00 0.00 H new ATOM 0 HG2 GLU A 16 14.844 2.592 4.169 1.00 0.00 H new ATOM 0 HG3 GLU A 16 14.197 1.040 3.675 1.00 0.00 H new ATOM 282 N LEU A 17 10.004 3.282 2.952 1.00 0.00 N ATOM 283 CA LEU A 17 8.873 3.965 2.362 1.00 0.00 C ATOM 284 C LEU A 17 7.995 4.583 3.421 1.00 0.00 C ATOM 285 O LEU A 17 7.581 5.728 3.289 1.00 0.00 O ATOM 286 CB LEU A 17 8.025 3.008 1.558 1.00 0.00 C ATOM 287 CG LEU A 17 6.720 3.603 1.069 1.00 0.00 C ATOM 288 CD1 LEU A 17 6.898 4.529 -0.074 1.00 0.00 C ATOM 289 CD2 LEU A 17 5.683 2.569 0.851 1.00 0.00 C ATOM 0 H LEU A 17 9.999 2.273 2.804 1.00 0.00 H new ATOM 0 HA LEU A 17 9.278 4.744 1.716 1.00 0.00 H new ATOM 0 HB2 LEU A 17 8.600 2.663 0.699 1.00 0.00 H new ATOM 0 HB3 LEU A 17 7.807 2.131 2.168 1.00 0.00 H new ATOM 0 HG LEU A 17 6.341 4.233 1.874 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.928 4.922 -0.378 1.00 0.00 H new ATOM 0 HD12 LEU A 17 7.546 5.353 0.223 1.00 0.00 H new ATOM 0 HD13 LEU A 17 7.351 3.994 -0.909 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.765 3.042 0.501 1.00 0.00 H new ATOM 0 HD22 LEU A 17 6.032 1.856 0.104 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.487 2.047 1.787 1.00 0.00 H new ATOM 301 N ILE A 18 7.699 3.808 4.450 1.00 0.00 N ATOM 302 CA ILE A 18 6.847 4.247 5.551 1.00 0.00 C ATOM 303 C ILE A 18 7.372 5.548 6.135 1.00 0.00 C ATOM 304 O ILE A 18 6.618 6.474 6.365 1.00 0.00 O ATOM 305 CB ILE A 18 6.748 3.154 6.651 1.00 0.00 C ATOM 306 CG1 ILE A 18 6.096 1.897 6.071 1.00 0.00 C ATOM 307 CG2 ILE A 18 5.960 3.657 7.868 1.00 0.00 C ATOM 308 CD1 ILE A 18 6.185 0.685 6.961 1.00 0.00 C ATOM 0 H ILE A 18 8.042 2.853 4.549 1.00 0.00 H new ATOM 0 HA ILE A 18 5.844 4.418 5.159 1.00 0.00 H new ATOM 0 HB ILE A 18 7.756 2.913 6.989 1.00 0.00 H new ATOM 0 HG12 ILE A 18 5.046 2.107 5.868 1.00 0.00 H new ATOM 0 HG13 ILE A 18 6.566 1.666 5.115 1.00 0.00 H new ATOM 0 HG21 ILE A 18 5.909 2.869 8.619 1.00 0.00 H new ATOM 0 HG22 ILE A 18 6.460 4.529 8.290 1.00 0.00 H new ATOM 0 HG23 ILE A 18 4.951 3.931 7.560 1.00 0.00 H new ATOM 0 HD11 ILE A 18 5.699 -0.160 6.474 1.00 0.00 H new ATOM 0 HD12 ILE A 18 7.232 0.445 7.145 1.00 0.00 H new ATOM 0 HD13 ILE A 18 5.689 0.893 7.909 1.00 0.00 H new ATOM 320 N GLN A 19 8.679 5.617 6.297 1.00 0.00 N ATOM 321 CA GLN A 19 9.350 6.813 6.798 1.00 0.00 C ATOM 322 C GLN A 19 9.129 8.020 5.869 1.00 0.00 C ATOM 323 O GLN A 19 9.019 9.166 6.326 1.00 0.00 O ATOM 324 CB GLN A 19 10.835 6.549 6.952 1.00 0.00 C ATOM 325 CG GLN A 19 11.170 5.512 8.000 1.00 0.00 C ATOM 326 CD GLN A 19 12.651 5.295 8.128 1.00 0.00 C ATOM 327 OE1 GLN A 19 13.227 4.446 7.455 1.00 0.00 O ATOM 328 NE2 GLN A 19 13.279 6.057 8.978 1.00 0.00 N ATOM 0 H GLN A 19 9.312 4.846 6.086 1.00 0.00 H new ATOM 0 HA GLN A 19 8.918 7.053 7.769 1.00 0.00 H new ATOM 0 HB2 GLN A 19 11.237 6.224 5.992 1.00 0.00 H new ATOM 0 HB3 GLN A 19 11.335 7.483 7.207 1.00 0.00 H new ATOM 0 HG2 GLN A 19 10.766 5.826 8.962 1.00 0.00 H new ATOM 0 HG3 GLN A 19 10.687 4.569 7.744 1.00 0.00 H new ATOM 0 HE21 GLN A 19 12.763 6.751 9.519 1.00 0.00 H new ATOM 0 HE22 GLN A 19 14.287 5.959 9.103 1.00 0.00 H new ATOM 337 N LEU A 20 9.068 7.758 4.582 1.00 0.00 N ATOM 338 CA LEU A 20 8.846 8.793 3.588 1.00 0.00 C ATOM 339 C LEU A 20 7.387 9.259 3.584 1.00 0.00 C ATOM 340 O LEU A 20 7.115 10.459 3.589 1.00 0.00 O ATOM 341 CB LEU A 20 9.294 8.325 2.205 1.00 0.00 C ATOM 342 CG LEU A 20 10.784 7.983 2.076 1.00 0.00 C ATOM 343 CD1 LEU A 20 11.090 7.447 0.699 1.00 0.00 C ATOM 344 CD2 LEU A 20 11.652 9.204 2.370 1.00 0.00 C ATOM 0 H LEU A 20 9.171 6.821 4.191 1.00 0.00 H new ATOM 0 HA LEU A 20 9.456 9.655 3.858 1.00 0.00 H new ATOM 0 HB2 LEU A 20 8.712 7.445 1.932 1.00 0.00 H new ATOM 0 HB3 LEU A 20 9.053 9.104 1.481 1.00 0.00 H new ATOM 0 HG LEU A 20 11.015 7.212 2.811 1.00 0.00 H new ATOM 0 HD11 LEU A 20 12.152 7.211 0.628 1.00 0.00 H new ATOM 0 HD12 LEU A 20 10.505 6.545 0.521 1.00 0.00 H new ATOM 0 HD13 LEU A 20 10.835 8.198 -0.049 1.00 0.00 H new ATOM 0 HD21 LEU A 20 12.704 8.935 2.272 1.00 0.00 H new ATOM 0 HD22 LEU A 20 11.413 9.999 1.663 1.00 0.00 H new ATOM 0 HD23 LEU A 20 11.460 9.551 3.385 1.00 0.00 H new ATOM 356 N VAL A 21 6.447 8.308 3.573 1.00 0.00 N ATOM 357 CA VAL A 21 5.023 8.633 3.643 1.00 0.00 C ATOM 358 C VAL A 21 4.711 9.348 4.983 1.00 0.00 C ATOM 359 O VAL A 21 3.886 10.251 5.044 1.00 0.00 O ATOM 360 CB VAL A 21 4.167 7.341 3.521 1.00 0.00 C ATOM 361 CG1 VAL A 21 2.688 7.650 3.412 1.00 0.00 C ATOM 362 CG2 VAL A 21 4.611 6.525 2.333 1.00 0.00 C ATOM 0 H VAL A 21 6.648 7.310 3.516 1.00 0.00 H new ATOM 0 HA VAL A 21 4.774 9.297 2.815 1.00 0.00 H new ATOM 0 HB VAL A 21 4.320 6.764 4.433 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.127 6.719 3.329 1.00 0.00 H new ATOM 0 HG12 VAL A 21 2.363 8.191 4.301 1.00 0.00 H new ATOM 0 HG13 VAL A 21 2.508 8.262 2.528 1.00 0.00 H new ATOM 0 HG21 VAL A 21 4.002 5.624 2.262 1.00 0.00 H new ATOM 0 HG22 VAL A 21 4.495 7.114 1.423 1.00 0.00 H new ATOM 0 HG23 VAL A 21 5.658 6.246 2.454 1.00 0.00 H new ATOM 372 N ALA A 22 5.416 8.950 6.029 1.00 0.00 N ATOM 373 CA ALA A 22 5.266 9.527 7.356 1.00 0.00 C ATOM 374 C ALA A 22 5.635 11.007 7.374 1.00 0.00 C ATOM 375 O ALA A 22 4.836 11.852 7.791 1.00 0.00 O ATOM 376 CB ALA A 22 6.112 8.762 8.359 1.00 0.00 C ATOM 0 H ALA A 22 6.116 8.210 5.981 1.00 0.00 H new ATOM 0 HA ALA A 22 4.216 9.446 7.635 1.00 0.00 H new ATOM 0 HB1 ALA A 22 5.991 9.203 9.348 1.00 0.00 H new ATOM 0 HB2 ALA A 22 5.792 7.720 8.385 1.00 0.00 H new ATOM 0 HB3 ALA A 22 7.160 8.813 8.065 1.00 0.00 H new ATOM 382 N ARG A 23 6.820 11.322 6.861 1.00 0.00 N ATOM 383 CA ARG A 23 7.334 12.697 6.839 1.00 0.00 C ATOM 384 C ARG A 23 6.492 13.624 5.956 1.00 0.00 C ATOM 385 O ARG A 23 6.605 14.853 6.037 1.00 0.00 O ATOM 386 CB ARG A 23 8.828 12.749 6.501 1.00 0.00 C ATOM 387 CG ARG A 23 9.195 12.248 5.130 1.00 0.00 C ATOM 388 CD ARG A 23 10.699 12.114 4.992 1.00 0.00 C ATOM 389 NE ARG A 23 11.242 11.130 5.945 1.00 0.00 N ATOM 390 CZ ARG A 23 12.537 11.026 6.297 1.00 0.00 C ATOM 391 NH1 ARG A 23 13.455 11.821 5.749 1.00 0.00 N ATOM 392 NH2 ARG A 23 12.910 10.132 7.204 1.00 0.00 N ATOM 0 H ARG A 23 7.453 10.637 6.449 1.00 0.00 H new ATOM 0 HA ARG A 23 7.236 13.083 7.854 1.00 0.00 H new ATOM 0 HB2 ARG A 23 9.170 13.780 6.597 1.00 0.00 H new ATOM 0 HB3 ARG A 23 9.372 12.163 7.242 1.00 0.00 H new ATOM 0 HG2 ARG A 23 8.721 11.283 4.951 1.00 0.00 H new ATOM 0 HG3 ARG A 23 8.815 12.934 4.373 1.00 0.00 H new ATOM 0 HD2 ARG A 23 10.947 11.812 3.974 1.00 0.00 H new ATOM 0 HD3 ARG A 23 11.169 13.083 5.160 1.00 0.00 H new ATOM 0 HE ARG A 23 10.585 10.476 6.371 1.00 0.00 H new ATOM 0 HH11 ARG A 23 13.179 12.517 5.056 1.00 0.00 H new ATOM 0 HH12 ARG A 23 14.434 11.734 6.023 1.00 0.00 H new ATOM 0 HH21 ARG A 23 12.215 9.523 7.635 1.00 0.00 H new ATOM 0 HH22 ARG A 23 13.892 10.054 7.470 1.00 0.00 H new ATOM 406 N HIS A 24 5.690 13.023 5.076 1.00 0.00 N ATOM 407 CA HIS A 24 4.730 13.757 4.259 1.00 0.00 C ATOM 408 C HIS A 24 3.761 14.560 5.155 1.00 0.00 C ATOM 409 O HIS A 24 3.348 15.670 4.801 1.00 0.00 O ATOM 410 CB HIS A 24 3.937 12.779 3.342 1.00 0.00 C ATOM 411 CG HIS A 24 2.780 13.414 2.593 1.00 0.00 C ATOM 412 ND1 HIS A 24 2.765 14.062 1.414 1.00 0.00 N flip ATOM 413 CD2 HIS A 24 1.474 13.457 3.057 1.00 0.00 C flip ATOM 414 CE1 HIS A 24 1.476 14.511 1.145 1.00 0.00 C flip ATOM 415 NE2 HIS A 24 0.740 14.119 2.162 1.00 0.00 N flip ATOM 0 H HIS A 24 5.689 12.016 4.912 1.00 0.00 H new ATOM 0 HA HIS A 24 5.278 14.457 3.628 1.00 0.00 H new ATOM 0 HB2 HIS A 24 4.625 12.342 2.618 1.00 0.00 H new ATOM 0 HB3 HIS A 24 3.553 11.961 3.951 1.00 0.00 H new ATOM 0 HD2 HIS A 24 1.114 13.029 3.981 1.00 0.00 H new ATOM 0 HE1 HIS A 24 1.147 15.067 0.279 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -0.260 14.298 2.254 1.00 0.00 H new ATOM 423 N GLY A 25 3.424 14.014 6.311 1.00 0.00 N ATOM 424 CA GLY A 25 2.501 14.705 7.178 1.00 0.00 C ATOM 425 C GLY A 25 1.812 13.807 8.175 1.00 0.00 C ATOM 426 O GLY A 25 1.210 14.299 9.138 1.00 0.00 O ATOM 0 H GLY A 25 3.767 13.119 6.659 1.00 0.00 H new ATOM 0 HA2 GLY A 25 3.038 15.485 7.717 1.00 0.00 H new ATOM 0 HA3 GLY A 25 1.746 15.201 6.568 1.00 0.00 H new ATOM 430 N LEU A 26 1.884 12.502 7.949 1.00 0.00 N ATOM 431 CA LEU A 26 1.292 11.512 8.822 1.00 0.00 C ATOM 432 C LEU A 26 1.789 11.602 10.252 1.00 0.00 C ATOM 433 O LEU A 26 2.944 11.926 10.514 1.00 0.00 O ATOM 434 CB LEU A 26 1.572 10.118 8.303 1.00 0.00 C ATOM 435 CG LEU A 26 0.716 9.597 7.152 1.00 0.00 C ATOM 436 CD1 LEU A 26 0.873 10.402 5.878 1.00 0.00 C ATOM 437 CD2 LEU A 26 0.998 8.129 6.930 1.00 0.00 C ATOM 0 H LEU A 26 2.363 12.102 7.142 1.00 0.00 H new ATOM 0 HA LEU A 26 0.222 11.718 8.826 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.614 10.083 7.987 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.468 9.424 9.137 1.00 0.00 H new ATOM 0 HG LEU A 26 -0.329 9.718 7.439 1.00 0.00 H new ATOM 0 HD11 LEU A 26 0.238 9.979 5.100 1.00 0.00 H new ATOM 0 HD12 LEU A 26 0.581 11.436 6.063 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.913 10.371 5.554 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.385 7.761 6.107 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.052 7.994 6.686 1.00 0.00 H new ATOM 0 HD23 LEU A 26 0.761 7.572 7.836 1.00 0.00 H new ATOM 449 N ASP A 27 0.912 11.281 11.154 1.00 0.00 N ATOM 450 CA ASP A 27 1.216 11.282 12.582 1.00 0.00 C ATOM 451 C ASP A 27 1.599 9.864 12.947 1.00 0.00 C ATOM 452 O ASP A 27 1.470 8.976 12.109 1.00 0.00 O ATOM 453 CB ASP A 27 -0.031 11.685 13.379 1.00 0.00 C ATOM 454 CG ASP A 27 0.246 12.056 14.827 1.00 0.00 C ATOM 455 OD1 ASP A 27 0.416 11.163 15.679 1.00 0.00 O ATOM 456 OD2 ASP A 27 0.274 13.252 15.135 1.00 0.00 O ATOM 0 H ASP A 27 -0.046 11.007 10.935 1.00 0.00 H new ATOM 0 HA ASP A 27 2.017 11.986 12.809 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -0.507 12.531 12.884 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -0.744 10.861 13.357 1.00 0.00 H new ATOM 461 N HIS A 28 1.981 9.636 14.183 1.00 0.00 N ATOM 462 CA HIS A 28 2.379 8.329 14.661 1.00 0.00 C ATOM 463 C HIS A 28 1.241 7.343 14.476 1.00 0.00 C ATOM 464 O HIS A 28 1.467 6.213 14.069 1.00 0.00 O ATOM 465 CB HIS A 28 2.780 8.404 16.140 1.00 0.00 C ATOM 466 CG HIS A 28 3.282 7.107 16.729 1.00 0.00 C ATOM 467 ND1 HIS A 28 2.813 6.566 17.905 1.00 0.00 N ATOM 468 CD2 HIS A 28 4.254 6.261 16.293 1.00 0.00 C ATOM 469 CE1 HIS A 28 3.484 5.444 18.151 1.00 0.00 C ATOM 470 NE2 HIS A 28 4.380 5.203 17.197 1.00 0.00 N ATOM 0 H HIS A 28 2.025 10.364 14.896 1.00 0.00 H new ATOM 0 HA HIS A 28 3.239 7.989 14.084 1.00 0.00 H new ATOM 0 HB2 HIS A 28 3.555 9.162 16.253 1.00 0.00 H new ATOM 0 HB3 HIS A 28 1.919 8.740 16.718 1.00 0.00 H new ATOM 0 HD2 HIS A 28 4.836 6.387 15.392 1.00 0.00 H new ATOM 0 HE1 HIS A 28 3.323 4.812 19.012 1.00 0.00 H new ATOM 0 HE2 HIS A 28 5.023 4.413 17.138 1.00 0.00 H new ATOM 478 N ASP A 29 0.005 7.810 14.699 1.00 0.00 N ATOM 479 CA ASP A 29 -1.165 6.941 14.569 1.00 0.00 C ATOM 480 C ASP A 29 -1.315 6.486 13.145 1.00 0.00 C ATOM 481 O ASP A 29 -1.611 5.328 12.874 1.00 0.00 O ATOM 482 CB ASP A 29 -2.474 7.607 15.057 1.00 0.00 C ATOM 483 CG ASP A 29 -3.026 8.733 14.182 1.00 0.00 C ATOM 484 OD1 ASP A 29 -3.791 8.455 13.240 1.00 0.00 O ATOM 485 OD2 ASP A 29 -2.733 9.921 14.456 1.00 0.00 O ATOM 0 H ASP A 29 -0.206 8.771 14.966 1.00 0.00 H new ATOM 0 HA ASP A 29 -0.991 6.082 15.217 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -3.239 6.835 15.145 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -2.304 8.003 16.058 1.00 0.00 H new ATOM 490 N LYS A 30 -1.032 7.387 12.241 1.00 0.00 N ATOM 491 CA LYS A 30 -1.129 7.116 10.836 1.00 0.00 C ATOM 492 C LYS A 30 -0.013 6.207 10.392 1.00 0.00 C ATOM 493 O LYS A 30 -0.229 5.326 9.592 1.00 0.00 O ATOM 494 CB LYS A 30 -1.114 8.406 10.027 1.00 0.00 C ATOM 495 CG LYS A 30 -2.306 9.319 10.255 1.00 0.00 C ATOM 496 CD LYS A 30 -3.627 8.616 9.955 1.00 0.00 C ATOM 497 CE LYS A 30 -4.823 9.546 10.144 1.00 0.00 C ATOM 498 NZ LYS A 30 -4.820 10.196 11.476 1.00 0.00 N ATOM 0 H LYS A 30 -0.726 8.334 12.463 1.00 0.00 H new ATOM 0 HA LYS A 30 -2.080 6.613 10.658 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -0.203 8.956 10.265 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -1.066 8.153 8.968 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -2.306 9.665 11.289 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -2.213 10.202 9.623 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -3.615 8.243 8.931 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -3.734 7.750 10.608 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -4.813 10.311 9.368 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -5.746 8.979 10.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -5.788 10.214 11.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -4.204 9.661 12.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -4.465 11.170 11.386 1.00 0.00 H new ATOM 512 N VAL A 31 1.165 6.402 10.951 1.00 0.00 N ATOM 513 CA VAL A 31 2.316 5.592 10.612 1.00 0.00 C ATOM 514 C VAL A 31 2.090 4.160 11.083 1.00 0.00 C ATOM 515 O VAL A 31 2.410 3.209 10.376 1.00 0.00 O ATOM 516 CB VAL A 31 3.625 6.183 11.210 1.00 0.00 C ATOM 517 CG1 VAL A 31 4.835 5.324 10.878 1.00 0.00 C ATOM 518 CG2 VAL A 31 3.829 7.589 10.692 1.00 0.00 C ATOM 0 H VAL A 31 1.350 7.122 11.649 1.00 0.00 H new ATOM 0 HA VAL A 31 2.435 5.592 9.529 1.00 0.00 H new ATOM 0 HB VAL A 31 3.523 6.200 12.295 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.729 5.771 11.313 1.00 0.00 H new ATOM 0 HG12 VAL A 31 4.694 4.323 11.286 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.951 5.261 9.796 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.746 8.002 11.112 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.904 7.569 9.605 1.00 0.00 H new ATOM 0 HG23 VAL A 31 2.984 8.211 10.986 1.00 0.00 H new ATOM 528 N LEU A 32 1.494 4.016 12.254 1.00 0.00 N ATOM 529 CA LEU A 32 1.142 2.709 12.785 1.00 0.00 C ATOM 530 C LEU A 32 0.133 2.040 11.893 1.00 0.00 C ATOM 531 O LEU A 32 0.367 0.950 11.404 1.00 0.00 O ATOM 532 CB LEU A 32 0.571 2.838 14.185 1.00 0.00 C ATOM 533 CG LEU A 32 1.503 3.432 15.220 1.00 0.00 C ATOM 534 CD1 LEU A 32 0.802 3.543 16.541 1.00 0.00 C ATOM 535 CD2 LEU A 32 2.768 2.609 15.345 1.00 0.00 C ATOM 0 H LEU A 32 1.241 4.796 12.861 1.00 0.00 H new ATOM 0 HA LEU A 32 2.047 2.103 12.825 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.328 3.453 14.136 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.263 1.849 14.525 1.00 0.00 H new ATOM 0 HG LEU A 32 1.790 4.432 14.895 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.481 3.971 17.278 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.072 4.186 16.436 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.487 2.553 16.870 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.421 3.057 16.095 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.513 1.593 15.646 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.282 2.584 14.384 1.00 0.00 H new ATOM 547 N LEU A 33 -0.957 2.727 11.627 1.00 0.00 N ATOM 548 CA LEU A 33 -2.025 2.181 10.807 1.00 0.00 C ATOM 549 C LEU A 33 -1.535 1.855 9.398 1.00 0.00 C ATOM 550 O LEU A 33 -1.848 0.793 8.862 1.00 0.00 O ATOM 551 CB LEU A 33 -3.209 3.143 10.777 1.00 0.00 C ATOM 552 CG LEU A 33 -3.878 3.402 12.132 1.00 0.00 C ATOM 553 CD1 LEU A 33 -4.898 4.511 12.021 1.00 0.00 C ATOM 554 CD2 LEU A 33 -4.530 2.133 12.669 1.00 0.00 C ATOM 0 H LEU A 33 -1.130 3.672 11.968 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.356 1.244 11.254 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -2.871 4.096 10.369 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.958 2.750 10.090 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.104 3.712 12.834 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.361 4.678 12.994 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.406 5.426 11.691 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.664 4.230 11.298 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.997 2.343 13.631 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.287 1.787 11.965 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.772 1.360 12.795 1.00 0.00 H new ATOM 566 N PHE A 34 -0.733 2.745 8.835 1.00 0.00 N ATOM 567 CA PHE A 34 -0.176 2.551 7.514 1.00 0.00 C ATOM 568 C PHE A 34 0.769 1.359 7.494 1.00 0.00 C ATOM 569 O PHE A 34 0.624 0.487 6.661 1.00 0.00 O ATOM 570 CB PHE A 34 0.533 3.826 7.018 1.00 0.00 C ATOM 571 CG PHE A 34 1.153 3.707 5.650 1.00 0.00 C ATOM 572 CD1 PHE A 34 0.362 3.696 4.512 1.00 0.00 C ATOM 573 CD2 PHE A 34 2.528 3.611 5.506 1.00 0.00 C ATOM 574 CE1 PHE A 34 0.930 3.591 3.260 1.00 0.00 C ATOM 575 CE2 PHE A 34 3.099 3.507 4.258 1.00 0.00 C ATOM 576 CZ PHE A 34 2.303 3.494 3.134 1.00 0.00 C ATOM 0 H PHE A 34 -0.453 3.618 9.282 1.00 0.00 H new ATOM 0 HA PHE A 34 -0.999 2.341 6.831 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -0.186 4.645 7.006 1.00 0.00 H new ATOM 0 HB3 PHE A 34 1.311 4.095 7.733 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -0.711 3.771 4.607 1.00 0.00 H new ATOM 0 HD2 PHE A 34 3.159 3.618 6.383 1.00 0.00 H new ATOM 0 HE1 PHE A 34 0.304 3.585 2.380 1.00 0.00 H new ATOM 0 HE2 PHE A 34 4.172 3.436 4.160 1.00 0.00 H new ATOM 0 HZ PHE A 34 2.751 3.408 2.155 1.00 0.00 H new ATOM 586 N SER A 35 1.702 1.303 8.444 1.00 0.00 N ATOM 587 CA SER A 35 2.680 0.218 8.492 1.00 0.00 C ATOM 588 C SER A 35 2.012 -1.142 8.681 1.00 0.00 C ATOM 589 O SER A 35 2.489 -2.150 8.165 1.00 0.00 O ATOM 590 CB SER A 35 3.759 0.476 9.564 1.00 0.00 C ATOM 591 OG SER A 35 3.187 0.703 10.845 1.00 0.00 O ATOM 0 H SER A 35 1.801 1.994 9.188 1.00 0.00 H new ATOM 0 HA SER A 35 3.181 0.195 7.524 1.00 0.00 H new ATOM 0 HB2 SER A 35 4.434 -0.379 9.614 1.00 0.00 H new ATOM 0 HB3 SER A 35 4.359 1.339 9.276 1.00 0.00 H new ATOM 0 HG SER A 35 2.826 1.613 10.885 1.00 0.00 H new ATOM 597 N ARG A 36 0.914 -1.166 9.421 1.00 0.00 N ATOM 598 CA ARG A 36 0.158 -2.387 9.628 1.00 0.00 C ATOM 599 C ARG A 36 -0.557 -2.795 8.360 1.00 0.00 C ATOM 600 O ARG A 36 -0.392 -3.913 7.880 1.00 0.00 O ATOM 601 CB ARG A 36 -0.864 -2.206 10.740 1.00 0.00 C ATOM 602 CG ARG A 36 -0.261 -1.869 12.078 1.00 0.00 C ATOM 603 CD ARG A 36 -1.323 -1.703 13.136 1.00 0.00 C ATOM 604 NE ARG A 36 -2.067 -2.960 13.348 1.00 0.00 N ATOM 605 CZ ARG A 36 -3.165 -3.104 14.101 1.00 0.00 C ATOM 606 NH1 ARG A 36 -3.684 -2.058 14.761 1.00 0.00 N ATOM 607 NH2 ARG A 36 -3.735 -4.309 14.203 1.00 0.00 N ATOM 0 H ARG A 36 0.527 -0.347 9.890 1.00 0.00 H new ATOM 0 HA ARG A 36 0.864 -3.168 9.911 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -1.558 -1.415 10.456 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -1.447 -3.122 10.836 1.00 0.00 H new ATOM 0 HG2 ARG A 36 0.431 -2.657 12.376 1.00 0.00 H new ATOM 0 HG3 ARG A 36 0.319 -0.950 11.996 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -0.861 -1.388 14.072 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -2.014 -0.914 12.840 1.00 0.00 H new ATOM 0 HE ARG A 36 -1.713 -3.794 12.879 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -3.242 -1.141 14.692 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -4.521 -2.179 15.332 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -3.333 -5.107 13.710 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -4.572 -4.431 14.774 1.00 0.00 H new ATOM 621 N ASP A 37 -1.313 -1.865 7.803 1.00 0.00 N ATOM 622 CA ASP A 37 -2.152 -2.126 6.628 1.00 0.00 C ATOM 623 C ASP A 37 -1.279 -2.508 5.436 1.00 0.00 C ATOM 624 O ASP A 37 -1.571 -3.459 4.708 1.00 0.00 O ATOM 625 CB ASP A 37 -2.970 -0.881 6.295 1.00 0.00 C ATOM 626 CG ASP A 37 -4.251 -1.193 5.548 1.00 0.00 C ATOM 627 OD1 ASP A 37 -4.215 -1.788 4.470 1.00 0.00 O ATOM 628 OD2 ASP A 37 -5.344 -0.870 6.082 1.00 0.00 O ATOM 0 H ASP A 37 -1.368 -0.906 8.146 1.00 0.00 H new ATOM 0 HA ASP A 37 -2.828 -2.952 6.849 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -3.214 -0.356 7.219 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -2.362 -0.204 5.695 1.00 0.00 H new ATOM 633 N LEU A 38 -0.184 -1.779 5.281 1.00 0.00 N ATOM 634 CA LEU A 38 0.794 -2.018 4.233 1.00 0.00 C ATOM 635 C LEU A 38 1.409 -3.401 4.377 1.00 0.00 C ATOM 636 O LEU A 38 1.539 -4.132 3.397 1.00 0.00 O ATOM 637 CB LEU A 38 1.879 -0.926 4.283 1.00 0.00 C ATOM 638 CG LEU A 38 3.118 -1.102 3.407 1.00 0.00 C ATOM 639 CD1 LEU A 38 2.749 -1.290 1.965 1.00 0.00 C ATOM 640 CD2 LEU A 38 4.029 0.099 3.553 1.00 0.00 C ATOM 0 H LEU A 38 0.052 -0.994 5.888 1.00 0.00 H new ATOM 0 HA LEU A 38 0.296 -1.977 3.264 1.00 0.00 H new ATOM 0 HB2 LEU A 38 1.412 0.021 4.013 1.00 0.00 H new ATOM 0 HB3 LEU A 38 2.212 -0.834 5.317 1.00 0.00 H new ATOM 0 HG LEU A 38 3.640 -1.999 3.741 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.655 -1.412 1.371 1.00 0.00 H new ATOM 0 HD12 LEU A 38 2.125 -2.178 1.862 1.00 0.00 H new ATOM 0 HD13 LEU A 38 2.199 -0.417 1.613 1.00 0.00 H new ATOM 0 HD21 LEU A 38 4.910 -0.034 2.925 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.497 0.999 3.245 1.00 0.00 H new ATOM 0 HD23 LEU A 38 4.337 0.198 4.594 1.00 0.00 H new ATOM 652 N ASP A 39 1.745 -3.759 5.602 1.00 0.00 N ATOM 653 CA ASP A 39 2.347 -5.055 5.905 1.00 0.00 C ATOM 654 C ASP A 39 1.401 -6.158 5.484 1.00 0.00 C ATOM 655 O ASP A 39 1.783 -7.105 4.784 1.00 0.00 O ATOM 656 CB ASP A 39 2.616 -5.154 7.402 1.00 0.00 C ATOM 657 CG ASP A 39 3.383 -6.377 7.777 1.00 0.00 C ATOM 658 OD1 ASP A 39 4.607 -6.369 7.598 1.00 0.00 O ATOM 659 OD2 ASP A 39 2.792 -7.360 8.276 1.00 0.00 O ATOM 0 H ASP A 39 1.611 -3.163 6.419 1.00 0.00 H new ATOM 0 HA ASP A 39 3.287 -5.157 5.363 1.00 0.00 H new ATOM 0 HB2 ASP A 39 3.169 -4.272 7.725 1.00 0.00 H new ATOM 0 HB3 ASP A 39 1.666 -5.149 7.937 1.00 0.00 H new ATOM 664 N LYS A 40 0.155 -5.980 5.867 1.00 0.00 N ATOM 665 CA LYS A 40 -0.917 -6.900 5.550 1.00 0.00 C ATOM 666 C LYS A 40 -1.104 -7.045 4.043 1.00 0.00 C ATOM 667 O LYS A 40 -1.216 -8.158 3.544 1.00 0.00 O ATOM 668 CB LYS A 40 -2.226 -6.414 6.168 1.00 0.00 C ATOM 669 CG LYS A 40 -2.285 -6.448 7.690 1.00 0.00 C ATOM 670 CD LYS A 40 -3.471 -5.632 8.219 1.00 0.00 C ATOM 671 CE LYS A 40 -4.806 -6.108 7.659 1.00 0.00 C ATOM 672 NZ LYS A 40 -5.924 -5.240 8.080 1.00 0.00 N ATOM 0 H LYS A 40 -0.147 -5.177 6.418 1.00 0.00 H new ATOM 0 HA LYS A 40 -0.646 -7.872 5.962 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.406 -5.391 5.838 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -3.041 -7.023 5.776 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -2.370 -7.480 8.030 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -1.356 -6.053 8.101 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -3.494 -5.695 9.307 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -3.328 -4.582 7.964 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -4.755 -6.131 6.570 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -4.995 -7.129 7.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -6.813 -5.599 7.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -5.990 -5.238 9.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -5.757 -4.271 7.742 1.00 0.00 H new ATOM 686 N LEU A 41 -1.150 -5.919 3.337 1.00 0.00 N ATOM 687 CA LEU A 41 -1.357 -5.899 1.888 1.00 0.00 C ATOM 688 C LEU A 41 -0.267 -6.678 1.152 1.00 0.00 C ATOM 689 O LEU A 41 -0.562 -7.473 0.254 1.00 0.00 O ATOM 690 CB LEU A 41 -1.430 -4.449 1.371 1.00 0.00 C ATOM 691 CG LEU A 41 -1.625 -4.269 -0.147 1.00 0.00 C ATOM 692 CD1 LEU A 41 -2.931 -4.894 -0.618 1.00 0.00 C ATOM 693 CD2 LEU A 41 -1.570 -2.799 -0.527 1.00 0.00 C ATOM 0 H LEU A 41 -1.045 -4.993 3.751 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.308 -6.391 1.684 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -2.250 -3.945 1.882 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.512 -3.937 1.660 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.807 -4.787 -0.648 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -3.037 -4.749 -1.693 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.925 -5.961 -0.395 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -3.767 -4.420 -0.104 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.710 -2.696 -1.603 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.360 -2.258 -0.005 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -0.601 -2.387 -0.246 1.00 0.00 H new ATOM 705 N ILE A 42 0.971 -6.478 1.559 1.00 0.00 N ATOM 706 CA ILE A 42 2.101 -7.150 0.929 1.00 0.00 C ATOM 707 C ILE A 42 2.015 -8.648 1.169 1.00 0.00 C ATOM 708 O ILE A 42 1.924 -9.431 0.224 1.00 0.00 O ATOM 709 CB ILE A 42 3.451 -6.618 1.468 1.00 0.00 C ATOM 710 CG1 ILE A 42 3.557 -5.124 1.225 1.00 0.00 C ATOM 711 CG2 ILE A 42 4.620 -7.340 0.807 1.00 0.00 C ATOM 712 CD1 ILE A 42 4.808 -4.509 1.766 1.00 0.00 C ATOM 0 H ILE A 42 1.225 -5.854 2.325 1.00 0.00 H new ATOM 0 HA ILE A 42 2.055 -6.944 -0.140 1.00 0.00 H new ATOM 0 HB ILE A 42 3.492 -6.809 2.540 1.00 0.00 H new ATOM 0 HG12 ILE A 42 3.506 -4.936 0.153 1.00 0.00 H new ATOM 0 HG13 ILE A 42 2.696 -4.630 1.677 1.00 0.00 H new ATOM 0 HG21 ILE A 42 5.558 -6.950 1.201 1.00 0.00 H new ATOM 0 HG22 ILE A 42 4.554 -8.408 1.017 1.00 0.00 H new ATOM 0 HG23 ILE A 42 4.584 -7.180 -0.271 1.00 0.00 H new ATOM 0 HD11 ILE A 42 4.810 -3.440 1.553 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.853 -4.664 2.844 1.00 0.00 H new ATOM 0 HD13 ILE A 42 5.675 -4.974 1.296 1.00 0.00 H new ATOM 724 N ASN A 43 1.965 -9.021 2.430 1.00 0.00 N ATOM 725 CA ASN A 43 1.895 -10.422 2.865 1.00 0.00 C ATOM 726 C ASN A 43 0.687 -11.139 2.276 1.00 0.00 C ATOM 727 O ASN A 43 0.719 -12.349 2.074 1.00 0.00 O ATOM 728 CB ASN A 43 1.885 -10.527 4.392 1.00 0.00 C ATOM 729 CG ASN A 43 3.190 -10.078 5.044 1.00 0.00 C ATOM 730 OD1 ASN A 43 4.290 -10.212 4.482 1.00 0.00 O ATOM 731 ND2 ASN A 43 3.082 -9.536 6.215 1.00 0.00 N ATOM 0 H ASN A 43 1.971 -8.357 3.204 1.00 0.00 H new ATOM 0 HA ASN A 43 2.791 -10.916 2.490 1.00 0.00 H new ATOM 0 HB2 ASN A 43 1.066 -9.923 4.784 1.00 0.00 H new ATOM 0 HB3 ASN A 43 1.684 -11.560 4.675 1.00 0.00 H new ATOM 0 HD21 ASN A 43 3.915 -9.205 6.702 1.00 0.00 H new ATOM 0 HD22 ASN A 43 2.164 -9.440 6.650 1.00 0.00 H new ATOM 738 N LYS A 44 -0.366 -10.383 2.009 1.00 0.00 N ATOM 739 CA LYS A 44 -1.589 -10.887 1.390 1.00 0.00 C ATOM 740 C LYS A 44 -1.290 -11.387 -0.021 1.00 0.00 C ATOM 741 O LYS A 44 -1.751 -12.451 -0.430 1.00 0.00 O ATOM 742 CB LYS A 44 -2.611 -9.755 1.309 1.00 0.00 C ATOM 743 CG LYS A 44 -3.986 -10.151 0.808 1.00 0.00 C ATOM 744 CD LYS A 44 -4.885 -8.935 0.639 1.00 0.00 C ATOM 745 CE LYS A 44 -5.067 -8.161 1.944 1.00 0.00 C ATOM 746 NZ LYS A 44 -5.644 -8.984 3.037 1.00 0.00 N ATOM 0 H LYS A 44 -0.399 -9.385 2.218 1.00 0.00 H new ATOM 0 HA LYS A 44 -1.983 -11.708 1.989 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -2.718 -9.314 2.300 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -2.215 -8.978 0.655 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.892 -10.672 -0.145 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.443 -10.849 1.509 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -4.460 -8.274 -0.116 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -5.860 -9.255 0.270 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -4.102 -7.769 2.264 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -5.715 -7.303 1.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -5.806 -8.387 3.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -6.547 -9.393 2.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -4.984 -9.749 3.281 1.00 0.00 H new ATOM 760 N PHE A 45 -0.522 -10.607 -0.754 1.00 0.00 N ATOM 761 CA PHE A 45 -0.147 -10.946 -2.107 1.00 0.00 C ATOM 762 C PHE A 45 0.956 -11.977 -2.142 1.00 0.00 C ATOM 763 O PHE A 45 0.969 -12.852 -3.004 1.00 0.00 O ATOM 764 CB PHE A 45 0.224 -9.698 -2.913 1.00 0.00 C ATOM 765 CG PHE A 45 -0.974 -8.980 -3.461 1.00 0.00 C ATOM 766 CD1 PHE A 45 -1.723 -8.121 -2.675 1.00 0.00 C ATOM 767 CD2 PHE A 45 -1.364 -9.190 -4.772 1.00 0.00 C ATOM 768 CE1 PHE A 45 -2.832 -7.482 -3.190 1.00 0.00 C ATOM 769 CE2 PHE A 45 -2.472 -8.557 -5.290 1.00 0.00 C ATOM 770 CZ PHE A 45 -3.208 -7.702 -4.498 1.00 0.00 C ATOM 0 H PHE A 45 -0.141 -9.720 -0.426 1.00 0.00 H new ATOM 0 HA PHE A 45 -1.020 -11.395 -2.581 1.00 0.00 H new ATOM 0 HB2 PHE A 45 0.791 -9.017 -2.278 1.00 0.00 H new ATOM 0 HB3 PHE A 45 0.878 -9.985 -3.737 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -1.436 -7.949 -1.648 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -0.792 -9.859 -5.397 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -3.405 -6.810 -2.569 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -2.764 -8.730 -6.315 1.00 0.00 H new ATOM 0 HZ PHE A 45 -4.078 -7.205 -4.902 1.00 0.00 H new ATOM 780 N MET A 46 1.856 -11.892 -1.183 1.00 0.00 N ATOM 781 CA MET A 46 2.980 -12.828 -1.091 1.00 0.00 C ATOM 782 C MET A 46 2.474 -14.207 -0.682 1.00 0.00 C ATOM 783 O MET A 46 3.016 -15.242 -1.100 1.00 0.00 O ATOM 784 CB MET A 46 3.974 -12.386 -0.017 1.00 0.00 C ATOM 785 CG MET A 46 4.487 -10.962 -0.107 1.00 0.00 C ATOM 786 SD MET A 46 5.762 -10.611 1.119 1.00 0.00 S ATOM 787 CE MET A 46 7.010 -11.789 0.632 1.00 0.00 C ATOM 0 H MET A 46 1.838 -11.184 -0.449 1.00 0.00 H new ATOM 0 HA MET A 46 3.463 -12.853 -2.068 1.00 0.00 H new ATOM 0 HB2 MET A 46 3.503 -12.517 0.957 1.00 0.00 H new ATOM 0 HB3 MET A 46 4.831 -13.059 -0.049 1.00 0.00 H new ATOM 0 HG2 MET A 46 4.888 -10.786 -1.105 1.00 0.00 H new ATOM 0 HG3 MET A 46 3.656 -10.270 0.029 1.00 0.00 H new ATOM 0 HE1 MET A 46 7.953 -11.542 1.119 1.00 0.00 H new ATOM 0 HE2 MET A 46 6.700 -12.791 0.928 1.00 0.00 H new ATOM 0 HE3 MET A 46 7.141 -11.755 -0.450 1.00 0.00 H new ATOM 1151 N LEU B 6 9.551 14.834 -2.837 1.00 0.00 N ATOM 1152 CA LEU B 6 9.234 14.030 -1.672 1.00 0.00 C ATOM 1153 C LEU B 6 8.374 12.858 -2.142 1.00 0.00 C ATOM 1154 O LEU B 6 8.652 11.700 -1.830 1.00 0.00 O ATOM 1155 CB LEU B 6 8.516 14.921 -0.606 1.00 0.00 C ATOM 1156 CG LEU B 6 8.110 14.294 0.760 1.00 0.00 C ATOM 1157 CD1 LEU B 6 6.872 13.422 0.651 1.00 0.00 C ATOM 1158 CD2 LEU B 6 9.267 13.508 1.362 1.00 0.00 C ATOM 0 HA LEU B 6 10.129 13.632 -1.194 1.00 0.00 H new ATOM 0 HB2 LEU B 6 9.166 15.770 -0.397 1.00 0.00 H new ATOM 0 HB3 LEU B 6 7.611 15.318 -1.066 1.00 0.00 H new ATOM 0 HG LEU B 6 7.863 15.121 1.426 1.00 0.00 H new ATOM 0 HD11 LEU B 6 6.631 13.009 1.630 1.00 0.00 H new ATOM 0 HD12 LEU B 6 6.035 14.022 0.294 1.00 0.00 H new ATOM 0 HD13 LEU B 6 7.060 12.609 -0.050 1.00 0.00 H new ATOM 0 HD21 LEU B 6 8.959 13.080 2.316 1.00 0.00 H new ATOM 0 HD22 LEU B 6 9.556 12.707 0.681 1.00 0.00 H new ATOM 0 HD23 LEU B 6 10.116 14.174 1.521 1.00 0.00 H new ATOM 1170 N LYS B 7 7.361 13.174 -2.944 1.00 0.00 N ATOM 1171 CA LYS B 7 6.502 12.173 -3.553 1.00 0.00 C ATOM 1172 C LYS B 7 7.304 11.261 -4.455 1.00 0.00 C ATOM 1173 O LYS B 7 7.044 10.092 -4.520 1.00 0.00 O ATOM 1174 CB LYS B 7 5.373 12.845 -4.340 1.00 0.00 C ATOM 1175 CG LYS B 7 3.986 12.578 -3.779 1.00 0.00 C ATOM 1176 CD LYS B 7 3.483 11.164 -4.102 1.00 0.00 C ATOM 1177 CE LYS B 7 3.157 11.012 -5.581 1.00 0.00 C ATOM 1178 NZ LYS B 7 2.511 9.716 -5.877 1.00 0.00 N ATOM 0 H LYS B 7 7.116 14.134 -3.188 1.00 0.00 H new ATOM 0 HA LYS B 7 6.061 11.570 -2.759 1.00 0.00 H new ATOM 0 HB2 LYS B 7 5.546 13.921 -4.357 1.00 0.00 H new ATOM 0 HB3 LYS B 7 5.409 12.500 -5.373 1.00 0.00 H new ATOM 0 HG2 LYS B 7 4.002 12.716 -2.698 1.00 0.00 H new ATOM 0 HG3 LYS B 7 3.287 13.310 -4.184 1.00 0.00 H new ATOM 0 HD2 LYS B 7 4.241 10.434 -3.818 1.00 0.00 H new ATOM 0 HD3 LYS B 7 2.595 10.948 -3.509 1.00 0.00 H new ATOM 0 HE2 LYS B 7 2.500 11.824 -5.892 1.00 0.00 H new ATOM 0 HE3 LYS B 7 4.073 11.102 -6.165 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 2.322 9.647 -6.897 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 3.141 8.940 -5.589 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 1.615 9.647 -5.354 1.00 0.00 H new ATOM 1192 N ASN B 8 8.296 11.819 -5.119 1.00 0.00 N ATOM 1193 CA ASN B 8 9.190 11.060 -6.005 1.00 0.00 C ATOM 1194 C ASN B 8 10.010 10.056 -5.180 1.00 0.00 C ATOM 1195 O ASN B 8 10.244 8.927 -5.618 1.00 0.00 O ATOM 1196 CB ASN B 8 10.097 12.042 -6.772 1.00 0.00 C ATOM 1197 CG ASN B 8 10.985 11.435 -7.861 1.00 0.00 C ATOM 1198 OD1 ASN B 8 11.443 10.298 -7.779 1.00 0.00 O ATOM 1199 ND2 ASN B 8 11.225 12.203 -8.893 1.00 0.00 N ATOM 0 H ASN B 8 8.515 12.814 -5.067 1.00 0.00 H new ATOM 0 HA ASN B 8 8.608 10.494 -6.732 1.00 0.00 H new ATOM 0 HB2 ASN B 8 9.466 12.804 -7.230 1.00 0.00 H new ATOM 0 HB3 ASN B 8 10.738 12.550 -6.051 1.00 0.00 H new ATOM 0 HD21 ASN B 8 11.807 11.862 -9.658 1.00 0.00 H new ATOM 0 HD22 ASN B 8 10.830 13.143 -8.932 1.00 0.00 H new ATOM 1206 N LYS B 9 10.427 10.463 -3.972 1.00 0.00 N ATOM 1207 CA LYS B 9 11.148 9.559 -3.065 1.00 0.00 C ATOM 1208 C LYS B 9 10.212 8.436 -2.676 1.00 0.00 C ATOM 1209 O LYS B 9 10.585 7.266 -2.722 1.00 0.00 O ATOM 1210 CB LYS B 9 11.609 10.260 -1.771 1.00 0.00 C ATOM 1211 CG LYS B 9 12.429 11.535 -1.937 1.00 0.00 C ATOM 1212 CD LYS B 9 13.697 11.325 -2.745 1.00 0.00 C ATOM 1213 CE LYS B 9 14.502 12.619 -2.844 1.00 0.00 C ATOM 1214 NZ LYS B 9 13.714 13.729 -3.427 1.00 0.00 N ATOM 0 H LYS B 9 10.279 11.403 -3.603 1.00 0.00 H new ATOM 0 HA LYS B 9 12.034 9.201 -3.589 1.00 0.00 H new ATOM 0 HB2 LYS B 9 10.725 10.499 -1.180 1.00 0.00 H new ATOM 0 HB3 LYS B 9 12.198 9.550 -1.191 1.00 0.00 H new ATOM 0 HG2 LYS B 9 11.816 12.294 -2.424 1.00 0.00 H new ATOM 0 HG3 LYS B 9 12.692 11.922 -0.952 1.00 0.00 H new ATOM 0 HD2 LYS B 9 14.305 10.549 -2.280 1.00 0.00 H new ATOM 0 HD3 LYS B 9 13.442 10.974 -3.745 1.00 0.00 H new ATOM 0 HE2 LYS B 9 14.849 12.905 -1.851 1.00 0.00 H new ATOM 0 HE3 LYS B 9 15.389 12.447 -3.454 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 14.353 14.505 -3.693 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 13.209 13.391 -4.271 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 13.026 14.072 -2.726 1.00 0.00 H new ATOM 1228 N ILE B 10 8.985 8.822 -2.298 1.00 0.00 N ATOM 1229 CA ILE B 10 7.931 7.882 -1.941 1.00 0.00 C ATOM 1230 C ILE B 10 7.707 6.910 -3.085 1.00 0.00 C ATOM 1231 O ILE B 10 7.745 5.708 -2.887 1.00 0.00 O ATOM 1232 CB ILE B 10 6.594 8.621 -1.590 1.00 0.00 C ATOM 1233 CG1 ILE B 10 6.769 9.467 -0.316 1.00 0.00 C ATOM 1234 CG2 ILE B 10 5.425 7.640 -1.440 1.00 0.00 C ATOM 1235 CD1 ILE B 10 5.534 10.243 0.102 1.00 0.00 C ATOM 0 H ILE B 10 8.702 9.800 -2.233 1.00 0.00 H new ATOM 0 HA ILE B 10 8.249 7.336 -1.053 1.00 0.00 H new ATOM 0 HB ILE B 10 6.352 9.285 -2.420 1.00 0.00 H new ATOM 0 HG12 ILE B 10 7.064 8.810 0.503 1.00 0.00 H new ATOM 0 HG13 ILE B 10 7.588 10.169 -0.472 1.00 0.00 H new ATOM 0 HG21 ILE B 10 4.517 8.191 -1.197 1.00 0.00 H new ATOM 0 HG22 ILE B 10 5.282 7.099 -2.375 1.00 0.00 H new ATOM 0 HG23 ILE B 10 5.645 6.932 -0.641 1.00 0.00 H new ATOM 0 HD11 ILE B 10 5.750 10.809 1.008 1.00 0.00 H new ATOM 0 HD12 ILE B 10 5.248 10.929 -0.695 1.00 0.00 H new ATOM 0 HD13 ILE B 10 4.716 9.549 0.294 1.00 0.00 H new ATOM 1247 N GLU B 11 7.526 7.452 -4.280 1.00 0.00 N ATOM 1248 CA GLU B 11 7.330 6.664 -5.478 1.00 0.00 C ATOM 1249 C GLU B 11 8.426 5.665 -5.665 1.00 0.00 C ATOM 1250 O GLU B 11 8.173 4.476 -5.629 1.00 0.00 O ATOM 1251 CB GLU B 11 7.232 7.543 -6.718 1.00 0.00 C ATOM 1252 CG GLU B 11 5.968 8.339 -6.799 1.00 0.00 C ATOM 1253 CD GLU B 11 4.776 7.451 -6.775 1.00 0.00 C ATOM 1254 OE1 GLU B 11 4.632 6.593 -7.671 1.00 0.00 O ATOM 1255 OE2 GLU B 11 3.973 7.552 -5.847 1.00 0.00 O ATOM 0 H GLU B 11 7.512 8.459 -4.442 1.00 0.00 H new ATOM 0 HA GLU B 11 6.387 6.133 -5.347 1.00 0.00 H new ATOM 0 HB2 GLU B 11 8.081 8.226 -6.735 1.00 0.00 H new ATOM 0 HB3 GLU B 11 7.311 6.914 -7.604 1.00 0.00 H new ATOM 0 HG2 GLU B 11 5.921 9.039 -5.965 1.00 0.00 H new ATOM 0 HG3 GLU B 11 5.966 8.932 -7.714 1.00 0.00 H new ATOM 1262 N ASN B 12 9.632 6.156 -5.826 1.00 0.00 N ATOM 1263 CA ASN B 12 10.793 5.323 -6.059 1.00 0.00 C ATOM 1264 C ASN B 12 10.951 4.263 -4.985 1.00 0.00 C ATOM 1265 O ASN B 12 11.174 3.117 -5.299 1.00 0.00 O ATOM 1266 CB ASN B 12 12.063 6.173 -6.169 1.00 0.00 C ATOM 1267 CG ASN B 12 13.313 5.345 -6.421 1.00 0.00 C ATOM 1268 OD1 ASN B 12 13.653 5.044 -7.566 1.00 0.00 O ATOM 1269 ND2 ASN B 12 14.022 5.011 -5.379 1.00 0.00 N ATOM 0 H ASN B 12 9.839 7.154 -5.799 1.00 0.00 H new ATOM 0 HA ASN B 12 10.637 4.809 -7.008 1.00 0.00 H new ATOM 0 HB2 ASN B 12 11.942 6.894 -6.978 1.00 0.00 H new ATOM 0 HB3 ASN B 12 12.192 6.744 -5.250 1.00 0.00 H new ATOM 0 HD21 ASN B 12 14.887 4.484 -5.498 1.00 0.00 H new ATOM 0 HD22 ASN B 12 13.711 5.276 -4.444 1.00 0.00 H new ATOM 1276 N LYS B 13 10.770 4.642 -3.728 1.00 0.00 N ATOM 1277 CA LYS B 13 10.934 3.709 -2.623 1.00 0.00 C ATOM 1278 C LYS B 13 9.874 2.616 -2.665 1.00 0.00 C ATOM 1279 O LYS B 13 10.176 1.426 -2.535 1.00 0.00 O ATOM 1280 CB LYS B 13 10.857 4.444 -1.301 1.00 0.00 C ATOM 1281 CG LYS B 13 11.370 3.642 -0.129 1.00 0.00 C ATOM 1282 CD LYS B 13 12.814 3.235 -0.342 1.00 0.00 C ATOM 1283 CE LYS B 13 13.700 4.424 -0.622 1.00 0.00 C ATOM 1284 NZ LYS B 13 15.092 4.027 -0.793 1.00 0.00 N ATOM 0 H LYS B 13 10.510 5.588 -3.448 1.00 0.00 H new ATOM 0 HA LYS B 13 11.914 3.243 -2.721 1.00 0.00 H new ATOM 0 HB2 LYS B 13 11.430 5.368 -1.376 1.00 0.00 H new ATOM 0 HB3 LYS B 13 9.821 4.725 -1.112 1.00 0.00 H new ATOM 0 HG2 LYS B 13 11.285 4.231 0.784 1.00 0.00 H new ATOM 0 HG3 LYS B 13 10.754 2.753 0.006 1.00 0.00 H new ATOM 0 HD2 LYS B 13 13.178 2.712 0.542 1.00 0.00 H new ATOM 0 HD3 LYS B 13 12.874 2.534 -1.174 1.00 0.00 H new ATOM 0 HE2 LYS B 13 13.353 4.933 -1.521 1.00 0.00 H new ATOM 0 HE3 LYS B 13 13.623 5.137 0.198 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 15.675 4.871 -0.967 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 15.425 3.548 0.068 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 15.171 3.379 -1.602 1.00 0.00 H new ATOM 1298 N LYS B 14 8.649 3.040 -2.851 1.00 0.00 N ATOM 1299 CA LYS B 14 7.503 2.163 -2.984 1.00 0.00 C ATOM 1300 C LYS B 14 7.717 1.214 -4.165 1.00 0.00 C ATOM 1301 O LYS B 14 7.479 0.024 -4.070 1.00 0.00 O ATOM 1302 CB LYS B 14 6.275 3.035 -3.225 1.00 0.00 C ATOM 1303 CG LYS B 14 5.018 2.293 -3.625 1.00 0.00 C ATOM 1304 CD LYS B 14 3.974 3.235 -4.200 1.00 0.00 C ATOM 1305 CE LYS B 14 4.439 3.856 -5.505 1.00 0.00 C ATOM 1306 NZ LYS B 14 3.451 4.794 -6.055 1.00 0.00 N ATOM 0 H LYS B 14 8.411 4.030 -2.916 1.00 0.00 H new ATOM 0 HA LYS B 14 7.368 1.565 -2.083 1.00 0.00 H new ATOM 0 HB2 LYS B 14 6.069 3.601 -2.316 1.00 0.00 H new ATOM 0 HB3 LYS B 14 6.512 3.759 -4.004 1.00 0.00 H new ATOM 0 HG2 LYS B 14 5.265 1.528 -4.362 1.00 0.00 H new ATOM 0 HG3 LYS B 14 4.606 1.778 -2.757 1.00 0.00 H new ATOM 0 HD2 LYS B 14 3.044 2.691 -4.366 1.00 0.00 H new ATOM 0 HD3 LYS B 14 3.757 4.023 -3.479 1.00 0.00 H new ATOM 0 HE2 LYS B 14 5.382 4.378 -5.342 1.00 0.00 H new ATOM 0 HE3 LYS B 14 4.633 3.067 -6.232 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 3.795 5.168 -6.962 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 2.548 4.299 -6.204 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 3.309 5.579 -5.388 1.00 0.00 H new ATOM 1320 N LYS B 15 8.191 1.766 -5.254 1.00 0.00 N ATOM 1321 CA LYS B 15 8.476 1.024 -6.473 1.00 0.00 C ATOM 1322 C LYS B 15 9.604 0.034 -6.257 1.00 0.00 C ATOM 1323 O LYS B 15 9.516 -1.107 -6.720 1.00 0.00 O ATOM 1324 CB LYS B 15 8.763 1.980 -7.629 1.00 0.00 C ATOM 1325 CG LYS B 15 7.535 2.776 -8.063 1.00 0.00 C ATOM 1326 CD LYS B 15 7.907 3.924 -8.979 1.00 0.00 C ATOM 1327 CE LYS B 15 6.681 4.695 -9.445 1.00 0.00 C ATOM 1328 NZ LYS B 15 7.039 5.815 -10.341 1.00 0.00 N ATOM 0 H LYS B 15 8.396 2.762 -5.327 1.00 0.00 H new ATOM 0 HA LYS B 15 7.593 0.444 -6.741 1.00 0.00 H new ATOM 0 HB2 LYS B 15 9.552 2.672 -7.334 1.00 0.00 H new ATOM 0 HB3 LYS B 15 9.139 1.411 -8.479 1.00 0.00 H new ATOM 0 HG2 LYS B 15 6.835 2.115 -8.574 1.00 0.00 H new ATOM 0 HG3 LYS B 15 7.023 3.164 -7.183 1.00 0.00 H new ATOM 0 HD2 LYS B 15 8.585 4.600 -8.458 1.00 0.00 H new ATOM 0 HD3 LYS B 15 8.445 3.538 -9.845 1.00 0.00 H new ATOM 0 HE2 LYS B 15 6.003 4.018 -9.964 1.00 0.00 H new ATOM 0 HE3 LYS B 15 6.144 5.081 -8.578 1.00 0.00 H new ATOM 0 HZ1 LYS B 15 6.175 6.314 -10.635 1.00 0.00 H new ATOM 0 HZ2 LYS B 15 7.666 6.475 -9.838 1.00 0.00 H new ATOM 0 HZ3 LYS B 15 7.528 5.445 -11.181 1.00 0.00 H new ATOM 1342 N GLU B 16 10.644 0.457 -5.522 1.00 0.00 N ATOM 1343 CA GLU B 16 11.731 -0.438 -5.132 1.00 0.00 C ATOM 1344 C GLU B 16 11.160 -1.645 -4.392 1.00 0.00 C ATOM 1345 O GLU B 16 11.591 -2.784 -4.603 1.00 0.00 O ATOM 1346 CB GLU B 16 12.760 0.243 -4.213 1.00 0.00 C ATOM 1347 CG GLU B 16 13.648 1.309 -4.825 1.00 0.00 C ATOM 1348 CD GLU B 16 14.754 1.708 -3.861 1.00 0.00 C ATOM 1349 OE1 GLU B 16 15.744 0.960 -3.754 1.00 0.00 O ATOM 1350 OE2 GLU B 16 14.661 2.750 -3.174 1.00 0.00 O ATOM 0 H GLU B 16 10.750 1.415 -5.188 1.00 0.00 H new ATOM 0 HA GLU B 16 12.237 -0.736 -6.050 1.00 0.00 H new ATOM 0 HB2 GLU B 16 12.221 0.693 -3.379 1.00 0.00 H new ATOM 0 HB3 GLU B 16 13.403 -0.532 -3.796 1.00 0.00 H new ATOM 0 HG2 GLU B 16 14.084 0.937 -5.752 1.00 0.00 H new ATOM 0 HG3 GLU B 16 13.050 2.183 -5.082 1.00 0.00 H new ATOM 1357 N LEU B 17 10.167 -1.380 -3.554 1.00 0.00 N ATOM 1358 CA LEU B 17 9.502 -2.409 -2.787 1.00 0.00 C ATOM 1359 C LEU B 17 8.697 -3.310 -3.692 1.00 0.00 C ATOM 1360 O LEU B 17 8.767 -4.522 -3.568 1.00 0.00 O ATOM 1361 CB LEU B 17 8.561 -1.810 -1.762 1.00 0.00 C ATOM 1362 CG LEU B 17 7.671 -2.825 -1.068 1.00 0.00 C ATOM 1363 CD1 LEU B 17 8.357 -3.589 -0.005 1.00 0.00 C ATOM 1364 CD2 LEU B 17 6.360 -2.258 -0.670 1.00 0.00 C ATOM 0 H LEU B 17 9.804 -0.441 -3.391 1.00 0.00 H new ATOM 0 HA LEU B 17 10.279 -2.980 -2.279 1.00 0.00 H new ATOM 0 HB2 LEU B 17 9.148 -1.284 -1.010 1.00 0.00 H new ATOM 0 HB3 LEU B 17 7.932 -1.067 -2.253 1.00 0.00 H new ATOM 0 HG LEU B 17 7.436 -3.580 -1.818 1.00 0.00 H new ATOM 0 HD11 LEU B 17 7.658 -4.294 0.445 1.00 0.00 H new ATOM 0 HD12 LEU B 17 9.198 -4.135 -0.434 1.00 0.00 H new ATOM 0 HD13 LEU B 17 8.722 -2.902 0.759 1.00 0.00 H new ATOM 0 HD21 LEU B 17 5.765 -3.028 -0.178 1.00 0.00 H new ATOM 0 HD22 LEU B 17 6.517 -1.426 0.017 1.00 0.00 H new ATOM 0 HD23 LEU B 17 5.833 -1.903 -1.556 1.00 0.00 H new ATOM 1376 N ILE B 18 7.923 -2.707 -4.587 1.00 0.00 N ATOM 1377 CA ILE B 18 7.076 -3.445 -5.524 1.00 0.00 C ATOM 1378 C ILE B 18 7.918 -4.441 -6.301 1.00 0.00 C ATOM 1379 O ILE B 18 7.536 -5.590 -6.451 1.00 0.00 O ATOM 1380 CB ILE B 18 6.325 -2.497 -6.509 1.00 0.00 C ATOM 1381 CG1 ILE B 18 5.442 -1.524 -5.728 1.00 0.00 C ATOM 1382 CG2 ILE B 18 5.472 -3.301 -7.501 1.00 0.00 C ATOM 1383 CD1 ILE B 18 4.864 -0.404 -6.563 1.00 0.00 C ATOM 0 H ILE B 18 7.863 -1.694 -4.686 1.00 0.00 H new ATOM 0 HA ILE B 18 6.321 -3.973 -4.942 1.00 0.00 H new ATOM 0 HB ILE B 18 7.067 -1.933 -7.074 1.00 0.00 H new ATOM 0 HG12 ILE B 18 4.624 -2.080 -5.271 1.00 0.00 H new ATOM 0 HG13 ILE B 18 6.027 -1.092 -4.916 1.00 0.00 H new ATOM 0 HG21 ILE B 18 4.958 -2.617 -8.177 1.00 0.00 H new ATOM 0 HG22 ILE B 18 6.115 -3.967 -8.077 1.00 0.00 H new ATOM 0 HG23 ILE B 18 4.737 -3.891 -6.954 1.00 0.00 H new ATOM 0 HD11 ILE B 18 4.251 0.240 -5.933 1.00 0.00 H new ATOM 0 HD12 ILE B 18 5.674 0.180 -6.999 1.00 0.00 H new ATOM 0 HD13 ILE B 18 4.250 -0.824 -7.360 1.00 0.00 H new ATOM 1395 N GLN B 19 9.089 -3.992 -6.731 1.00 0.00 N ATOM 1396 CA GLN B 19 10.054 -4.834 -7.428 1.00 0.00 C ATOM 1397 C GLN B 19 10.435 -6.045 -6.581 1.00 0.00 C ATOM 1398 O GLN B 19 10.574 -7.157 -7.096 1.00 0.00 O ATOM 1399 CB GLN B 19 11.307 -4.036 -7.729 1.00 0.00 C ATOM 1400 CG GLN B 19 11.100 -2.886 -8.679 1.00 0.00 C ATOM 1401 CD GLN B 19 12.350 -2.031 -8.806 1.00 0.00 C ATOM 1402 OE1 GLN B 19 13.474 -2.521 -8.650 1.00 0.00 O ATOM 1403 NE2 GLN B 19 12.174 -0.765 -9.085 1.00 0.00 N ATOM 0 H GLN B 19 9.399 -3.028 -6.606 1.00 0.00 H new ATOM 0 HA GLN B 19 9.594 -5.179 -8.354 1.00 0.00 H new ATOM 0 HB2 GLN B 19 11.711 -3.650 -6.793 1.00 0.00 H new ATOM 0 HB3 GLN B 19 12.058 -4.706 -8.147 1.00 0.00 H new ATOM 0 HG2 GLN B 19 10.820 -3.270 -9.660 1.00 0.00 H new ATOM 0 HG3 GLN B 19 10.271 -2.270 -8.330 1.00 0.00 H new ATOM 0 HE21 GLN B 19 11.231 -0.396 -9.207 1.00 0.00 H new ATOM 0 HE22 GLN B 19 12.980 -0.147 -9.181 1.00 0.00 H new ATOM 1412 N LEU B 20 10.576 -5.819 -5.288 1.00 0.00 N ATOM 1413 CA LEU B 20 10.950 -6.852 -4.347 1.00 0.00 C ATOM 1414 C LEU B 20 9.801 -7.825 -4.110 1.00 0.00 C ATOM 1415 O LEU B 20 10.000 -9.039 -4.147 1.00 0.00 O ATOM 1416 CB LEU B 20 11.433 -6.248 -3.030 1.00 0.00 C ATOM 1417 CG LEU B 20 12.667 -5.353 -3.126 1.00 0.00 C ATOM 1418 CD1 LEU B 20 13.015 -4.788 -1.771 1.00 0.00 C ATOM 1419 CD2 LEU B 20 13.848 -6.119 -3.701 1.00 0.00 C ATOM 0 H LEU B 20 10.432 -4.904 -4.860 1.00 0.00 H new ATOM 0 HA LEU B 20 11.777 -7.412 -4.783 1.00 0.00 H new ATOM 0 HB2 LEU B 20 10.618 -5.667 -2.597 1.00 0.00 H new ATOM 0 HB3 LEU B 20 11.649 -7.061 -2.336 1.00 0.00 H new ATOM 0 HG LEU B 20 12.437 -4.527 -3.799 1.00 0.00 H new ATOM 0 HD11 LEU B 20 13.896 -4.153 -1.857 1.00 0.00 H new ATOM 0 HD12 LEU B 20 12.178 -4.199 -1.397 1.00 0.00 H new ATOM 0 HD13 LEU B 20 13.222 -5.604 -1.079 1.00 0.00 H new ATOM 0 HD21 LEU B 20 14.715 -5.461 -3.760 1.00 0.00 H new ATOM 0 HD22 LEU B 20 14.080 -6.968 -3.057 1.00 0.00 H new ATOM 0 HD23 LEU B 20 13.597 -6.479 -4.699 1.00 0.00 H new ATOM 1431 N VAL B 21 8.603 -7.298 -3.881 1.00 0.00 N ATOM 1432 CA VAL B 21 7.424 -8.137 -3.710 1.00 0.00 C ATOM 1433 C VAL B 21 7.167 -8.945 -5.008 1.00 0.00 C ATOM 1434 O VAL B 21 6.792 -10.120 -4.974 1.00 0.00 O ATOM 1435 CB VAL B 21 6.180 -7.273 -3.371 1.00 0.00 C ATOM 1436 CG1 VAL B 21 5.010 -8.129 -2.963 1.00 0.00 C ATOM 1437 CG2 VAL B 21 6.493 -6.275 -2.276 1.00 0.00 C ATOM 0 H VAL B 21 8.424 -6.296 -3.810 1.00 0.00 H new ATOM 0 HA VAL B 21 7.602 -8.824 -2.883 1.00 0.00 H new ATOM 0 HB VAL B 21 5.910 -6.729 -4.276 1.00 0.00 H new ATOM 0 HG11 VAL B 21 4.156 -7.492 -2.733 1.00 0.00 H new ATOM 0 HG12 VAL B 21 4.750 -8.803 -3.779 1.00 0.00 H new ATOM 0 HG13 VAL B 21 5.276 -8.712 -2.081 1.00 0.00 H new ATOM 0 HG21 VAL B 21 5.604 -5.683 -2.058 1.00 0.00 H new ATOM 0 HG22 VAL B 21 6.804 -6.807 -1.377 1.00 0.00 H new ATOM 0 HG23 VAL B 21 7.297 -5.616 -2.604 1.00 0.00 H new ATOM 1447 N ALA B 22 7.428 -8.312 -6.141 1.00 0.00 N ATOM 1448 CA ALA B 22 7.267 -8.928 -7.445 1.00 0.00 C ATOM 1449 C ALA B 22 8.243 -10.088 -7.645 1.00 0.00 C ATOM 1450 O ALA B 22 7.841 -11.177 -8.084 1.00 0.00 O ATOM 1451 CB ALA B 22 7.427 -7.893 -8.550 1.00 0.00 C ATOM 0 H ALA B 22 7.760 -7.348 -6.180 1.00 0.00 H new ATOM 0 HA ALA B 22 6.258 -9.336 -7.495 1.00 0.00 H new ATOM 0 HB1 ALA B 22 7.303 -8.374 -9.520 1.00 0.00 H new ATOM 0 HB2 ALA B 22 6.673 -7.115 -8.432 1.00 0.00 H new ATOM 0 HB3 ALA B 22 8.420 -7.448 -8.490 1.00 0.00 H new ATOM 1457 N ARG B 23 9.516 -9.877 -7.276 1.00 0.00 N ATOM 1458 CA ARG B 23 10.551 -10.914 -7.438 1.00 0.00 C ATOM 1459 C ARG B 23 10.409 -12.022 -6.400 1.00 0.00 C ATOM 1460 O ARG B 23 11.154 -13.007 -6.429 1.00 0.00 O ATOM 1461 CB ARG B 23 11.971 -10.333 -7.387 1.00 0.00 C ATOM 1462 CG ARG B 23 12.323 -9.677 -6.077 1.00 0.00 C ATOM 1463 CD ARG B 23 13.741 -9.136 -6.060 1.00 0.00 C ATOM 1464 NE ARG B 23 14.743 -10.196 -6.195 1.00 0.00 N ATOM 1465 CZ ARG B 23 16.010 -10.130 -5.757 1.00 0.00 C ATOM 1466 NH1 ARG B 23 16.457 -9.047 -5.105 1.00 0.00 N ATOM 1467 NH2 ARG B 23 16.822 -11.148 -5.969 1.00 0.00 N ATOM 0 H ARG B 23 9.853 -9.006 -6.867 1.00 0.00 H new ATOM 0 HA ARG B 23 10.395 -11.341 -8.429 1.00 0.00 H new ATOM 0 HB2 ARG B 23 12.686 -11.132 -7.584 1.00 0.00 H new ATOM 0 HB3 ARG B 23 12.081 -9.602 -8.188 1.00 0.00 H new ATOM 0 HG2 ARG B 23 11.625 -8.863 -5.883 1.00 0.00 H new ATOM 0 HG3 ARG B 23 12.203 -10.399 -5.269 1.00 0.00 H new ATOM 0 HD2 ARG B 23 13.863 -8.418 -6.871 1.00 0.00 H new ATOM 0 HD3 ARG B 23 13.910 -8.596 -5.128 1.00 0.00 H new ATOM 0 HE ARG B 23 14.454 -11.056 -6.661 1.00 0.00 H new ATOM 0 HH11 ARG B 23 15.832 -8.259 -4.936 1.00 0.00 H new ATOM 0 HH12 ARG B 23 17.422 -9.011 -4.778 1.00 0.00 H new ATOM 0 HH21 ARG B 23 16.485 -11.975 -6.462 1.00 0.00 H new ATOM 0 HH22 ARG B 23 17.787 -11.108 -5.640 1.00 0.00 H new ATOM 1481 N HIS B 24 9.494 -11.838 -5.458 1.00 0.00 N ATOM 1482 CA HIS B 24 9.188 -12.868 -4.501 1.00 0.00 C ATOM 1483 C HIS B 24 8.470 -14.004 -5.202 1.00 0.00 C ATOM 1484 O HIS B 24 8.690 -15.180 -4.900 1.00 0.00 O ATOM 1485 CB HIS B 24 8.349 -12.322 -3.329 1.00 0.00 C ATOM 1486 CG HIS B 24 7.899 -13.397 -2.367 1.00 0.00 C ATOM 1487 ND1 HIS B 24 8.738 -14.128 -1.552 1.00 0.00 N ATOM 1488 CD2 HIS B 24 6.678 -13.880 -2.159 1.00 0.00 C ATOM 1489 CE1 HIS B 24 8.000 -15.016 -0.886 1.00 0.00 C ATOM 1490 NE2 HIS B 24 6.729 -14.911 -1.218 1.00 0.00 N ATOM 0 H HIS B 24 8.955 -10.980 -5.344 1.00 0.00 H new ATOM 0 HA HIS B 24 10.121 -13.239 -4.076 1.00 0.00 H new ATOM 0 HB2 HIS B 24 8.935 -11.580 -2.786 1.00 0.00 H new ATOM 0 HB3 HIS B 24 7.473 -11.809 -3.726 1.00 0.00 H new ATOM 0 HD2 HIS B 24 5.780 -13.528 -2.645 1.00 0.00 H new ATOM 0 HE1 HIS B 24 8.391 -15.725 -0.171 1.00 0.00 H new ATOM 0 HE2 HIS B 24 5.949 -15.464 -0.863 1.00 0.00 H new ATOM 1498 N GLY B 25 7.634 -13.646 -6.138 1.00 0.00 N ATOM 1499 CA GLY B 25 6.910 -14.628 -6.878 1.00 0.00 C ATOM 1500 C GLY B 25 5.530 -14.167 -7.216 1.00 0.00 C ATOM 1501 O GLY B 25 4.557 -14.904 -7.035 1.00 0.00 O ATOM 0 H GLY B 25 7.441 -12.680 -6.402 1.00 0.00 H new ATOM 0 HA2 GLY B 25 7.450 -14.861 -7.796 1.00 0.00 H new ATOM 0 HA3 GLY B 25 6.853 -15.550 -6.299 1.00 0.00 H new ATOM 1505 N LEU B 26 5.411 -12.940 -7.653 1.00 0.00 N ATOM 1506 CA LEU B 26 4.135 -12.456 -8.071 1.00 0.00 C ATOM 1507 C LEU B 26 4.004 -12.492 -9.544 1.00 0.00 C ATOM 1508 O LEU B 26 4.964 -12.266 -10.283 1.00 0.00 O ATOM 1509 CB LEU B 26 3.815 -11.045 -7.578 1.00 0.00 C ATOM 1510 CG LEU B 26 3.517 -10.888 -6.109 1.00 0.00 C ATOM 1511 CD1 LEU B 26 3.033 -9.491 -5.770 1.00 0.00 C ATOM 1512 CD2 LEU B 26 2.587 -11.963 -5.576 1.00 0.00 C ATOM 0 H LEU B 26 6.176 -12.270 -7.726 1.00 0.00 H new ATOM 0 HA LEU B 26 3.415 -13.132 -7.611 1.00 0.00 H new ATOM 0 HB2 LEU B 26 4.659 -10.400 -7.824 1.00 0.00 H new ATOM 0 HB3 LEU B 26 2.957 -10.676 -8.140 1.00 0.00 H new ATOM 0 HG LEU B 26 4.466 -11.029 -5.592 1.00 0.00 H new ATOM 0 HD11 LEU B 26 2.831 -9.425 -4.701 1.00 0.00 H new ATOM 0 HD12 LEU B 26 3.800 -8.765 -6.040 1.00 0.00 H new ATOM 0 HD13 LEU B 26 2.120 -9.277 -6.326 1.00 0.00 H new ATOM 0 HD21 LEU B 26 2.410 -11.797 -4.513 1.00 0.00 H new ATOM 0 HD22 LEU B 26 1.639 -11.923 -6.113 1.00 0.00 H new ATOM 0 HD23 LEU B 26 3.043 -12.942 -5.719 1.00 0.00 H new ATOM 1524 N ASP B 27 2.821 -12.815 -9.956 1.00 0.00 N ATOM 1525 CA ASP B 27 2.416 -12.748 -11.346 1.00 0.00 C ATOM 1526 C ASP B 27 2.351 -11.279 -11.657 1.00 0.00 C ATOM 1527 O ASP B 27 2.195 -10.473 -10.732 1.00 0.00 O ATOM 1528 CB ASP B 27 0.992 -13.312 -11.527 1.00 0.00 C ATOM 1529 CG ASP B 27 0.774 -14.679 -10.922 1.00 0.00 C ATOM 1530 OD1 ASP B 27 0.791 -14.804 -9.671 1.00 0.00 O ATOM 1531 OD2 ASP B 27 0.562 -15.646 -11.667 1.00 0.00 O ATOM 0 H ASP B 27 2.084 -13.142 -9.331 1.00 0.00 H new ATOM 0 HA ASP B 27 3.101 -13.312 -11.979 1.00 0.00 H new ATOM 0 HB2 ASP B 27 0.281 -12.615 -11.083 1.00 0.00 H new ATOM 0 HB3 ASP B 27 0.768 -13.361 -12.593 1.00 0.00 H new ATOM 1536 N HIS B 28 2.409 -10.901 -12.897 1.00 0.00 N ATOM 1537 CA HIS B 28 2.362 -9.479 -13.222 1.00 0.00 C ATOM 1538 C HIS B 28 1.033 -8.864 -12.821 1.00 0.00 C ATOM 1539 O HIS B 28 0.983 -7.723 -12.401 1.00 0.00 O ATOM 1540 CB HIS B 28 2.730 -9.200 -14.681 1.00 0.00 C ATOM 1541 CG HIS B 28 4.183 -9.442 -14.967 1.00 0.00 C ATOM 1542 ND1 HIS B 28 5.079 -8.453 -15.278 1.00 0.00 N ATOM 1543 CD2 HIS B 28 4.888 -10.591 -14.974 1.00 0.00 C ATOM 1544 CE1 HIS B 28 6.271 -9.013 -15.460 1.00 0.00 C ATOM 1545 NE2 HIS B 28 6.212 -10.318 -15.289 1.00 0.00 N ATOM 0 H HIS B 28 2.487 -11.529 -13.697 1.00 0.00 H new ATOM 0 HA HIS B 28 3.130 -8.986 -12.627 1.00 0.00 H new ATOM 0 HB2 HIS B 28 2.125 -9.832 -15.331 1.00 0.00 H new ATOM 0 HB3 HIS B 28 2.483 -8.166 -14.923 1.00 0.00 H new ATOM 0 HD2 HIS B 28 4.485 -11.571 -14.767 1.00 0.00 H new ATOM 0 HE1 HIS B 28 7.169 -8.470 -15.714 1.00 0.00 H new ATOM 0 HE2 HIS B 28 6.978 -10.987 -15.371 1.00 0.00 H new ATOM 1553 N ASP B 29 -0.014 -9.672 -12.861 1.00 0.00 N ATOM 1554 CA ASP B 29 -1.349 -9.263 -12.445 1.00 0.00 C ATOM 1555 C ASP B 29 -1.345 -8.941 -10.955 1.00 0.00 C ATOM 1556 O ASP B 29 -1.931 -7.957 -10.516 1.00 0.00 O ATOM 1557 CB ASP B 29 -2.346 -10.379 -12.756 1.00 0.00 C ATOM 1558 CG ASP B 29 -3.783 -10.024 -12.450 1.00 0.00 C ATOM 1559 OD1 ASP B 29 -4.395 -9.250 -13.223 1.00 0.00 O ATOM 1560 OD2 ASP B 29 -4.350 -10.555 -11.476 1.00 0.00 O ATOM 0 H ASP B 29 0.037 -10.638 -13.185 1.00 0.00 H new ATOM 0 HA ASP B 29 -1.647 -8.368 -12.991 1.00 0.00 H new ATOM 0 HB2 ASP B 29 -2.264 -10.641 -13.811 1.00 0.00 H new ATOM 0 HB3 ASP B 29 -2.072 -11.266 -12.185 1.00 0.00 H new ATOM 1565 N LYS B 30 -0.603 -9.747 -10.201 1.00 0.00 N ATOM 1566 CA LYS B 30 -0.438 -9.562 -8.766 1.00 0.00 C ATOM 1567 C LYS B 30 0.262 -8.234 -8.510 1.00 0.00 C ATOM 1568 O LYS B 30 -0.196 -7.437 -7.708 1.00 0.00 O ATOM 1569 CB LYS B 30 0.407 -10.697 -8.198 1.00 0.00 C ATOM 1570 CG LYS B 30 -0.194 -12.080 -8.341 1.00 0.00 C ATOM 1571 CD LYS B 30 -1.384 -12.340 -7.447 1.00 0.00 C ATOM 1572 CE LYS B 30 -1.933 -13.753 -7.692 1.00 0.00 C ATOM 1573 NZ LYS B 30 -0.900 -14.817 -7.500 1.00 0.00 N ATOM 0 H LYS B 30 -0.097 -10.551 -10.572 1.00 0.00 H new ATOM 0 HA LYS B 30 -1.415 -9.563 -8.283 1.00 0.00 H new ATOM 0 HB2 LYS B 30 1.379 -10.687 -8.691 1.00 0.00 H new ATOM 0 HB3 LYS B 30 0.585 -10.503 -7.140 1.00 0.00 H new ATOM 0 HG2 LYS B 30 -0.496 -12.226 -9.378 1.00 0.00 H new ATOM 0 HG3 LYS B 30 0.576 -12.821 -8.125 1.00 0.00 H new ATOM 0 HD2 LYS B 30 -1.094 -12.231 -6.402 1.00 0.00 H new ATOM 0 HD3 LYS B 30 -2.162 -11.601 -7.641 1.00 0.00 H new ATOM 0 HE2 LYS B 30 -2.767 -13.936 -7.015 1.00 0.00 H new ATOM 0 HE3 LYS B 30 -2.327 -13.814 -8.707 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 -1.367 -15.742 -7.408 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 -0.260 -14.832 -8.320 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 -0.353 -14.618 -6.638 1.00 0.00 H new ATOM 1587 N VAL B 31 1.362 -8.004 -9.243 1.00 0.00 N ATOM 1588 CA VAL B 31 2.148 -6.777 -9.153 1.00 0.00 C ATOM 1589 C VAL B 31 1.265 -5.564 -9.457 1.00 0.00 C ATOM 1590 O VAL B 31 1.322 -4.561 -8.754 1.00 0.00 O ATOM 1591 CB VAL B 31 3.353 -6.803 -10.149 1.00 0.00 C ATOM 1592 CG1 VAL B 31 4.275 -5.603 -9.965 1.00 0.00 C ATOM 1593 CG2 VAL B 31 4.128 -8.098 -10.026 1.00 0.00 C ATOM 0 H VAL B 31 1.729 -8.674 -9.919 1.00 0.00 H new ATOM 0 HA VAL B 31 2.538 -6.704 -8.138 1.00 0.00 H new ATOM 0 HB VAL B 31 2.938 -6.741 -11.155 1.00 0.00 H new ATOM 0 HG11 VAL B 31 5.097 -5.663 -10.678 1.00 0.00 H new ATOM 0 HG12 VAL B 31 3.714 -4.684 -10.135 1.00 0.00 H new ATOM 0 HG13 VAL B 31 4.674 -5.603 -8.950 1.00 0.00 H new ATOM 0 HG21 VAL B 31 4.961 -8.092 -10.729 1.00 0.00 H new ATOM 0 HG22 VAL B 31 4.511 -8.198 -9.010 1.00 0.00 H new ATOM 0 HG23 VAL B 31 3.471 -8.938 -10.250 1.00 0.00 H new ATOM 1603 N LEU B 32 0.435 -5.677 -10.486 1.00 0.00 N ATOM 1604 CA LEU B 32 -0.482 -4.602 -10.879 1.00 0.00 C ATOM 1605 C LEU B 32 -1.463 -4.289 -9.777 1.00 0.00 C ATOM 1606 O LEU B 32 -1.557 -3.146 -9.340 1.00 0.00 O ATOM 1607 CB LEU B 32 -1.242 -4.957 -12.154 1.00 0.00 C ATOM 1608 CG LEU B 32 -0.390 -5.276 -13.373 1.00 0.00 C ATOM 1609 CD1 LEU B 32 -1.257 -5.505 -14.579 1.00 0.00 C ATOM 1610 CD2 LEU B 32 0.641 -4.192 -13.630 1.00 0.00 C ATOM 0 H LEU B 32 0.374 -6.510 -11.072 1.00 0.00 H new ATOM 0 HA LEU B 32 0.128 -3.719 -11.069 1.00 0.00 H new ATOM 0 HB2 LEU B 32 -1.879 -5.817 -11.946 1.00 0.00 H new ATOM 0 HB3 LEU B 32 -1.901 -4.125 -12.404 1.00 0.00 H new ATOM 0 HG LEU B 32 0.156 -6.197 -13.170 1.00 0.00 H new ATOM 0 HD11 LEU B 32 -0.629 -5.732 -15.441 1.00 0.00 H new ATOM 0 HD12 LEU B 32 -1.930 -6.342 -14.390 1.00 0.00 H new ATOM 0 HD13 LEU B 32 -1.842 -4.608 -14.782 1.00 0.00 H new ATOM 0 HD21 LEU B 32 1.232 -4.453 -14.508 1.00 0.00 H new ATOM 0 HD22 LEU B 32 0.135 -3.242 -13.802 1.00 0.00 H new ATOM 0 HD23 LEU B 32 1.298 -4.102 -12.765 1.00 0.00 H new ATOM 1622 N LEU B 33 -2.155 -5.308 -9.306 1.00 0.00 N ATOM 1623 CA LEU B 33 -3.157 -5.151 -8.258 1.00 0.00 C ATOM 1624 C LEU B 33 -2.532 -4.615 -6.991 1.00 0.00 C ATOM 1625 O LEU B 33 -3.081 -3.720 -6.341 1.00 0.00 O ATOM 1626 CB LEU B 33 -3.826 -6.477 -7.983 1.00 0.00 C ATOM 1627 CG LEU B 33 -4.578 -7.088 -9.155 1.00 0.00 C ATOM 1628 CD1 LEU B 33 -5.001 -8.495 -8.824 1.00 0.00 C ATOM 1629 CD2 LEU B 33 -5.783 -6.236 -9.523 1.00 0.00 C ATOM 0 H LEU B 33 -2.043 -6.267 -9.635 1.00 0.00 H new ATOM 0 HA LEU B 33 -3.904 -4.435 -8.601 1.00 0.00 H new ATOM 0 HB2 LEU B 33 -3.066 -7.185 -7.653 1.00 0.00 H new ATOM 0 HB3 LEU B 33 -4.523 -6.347 -7.155 1.00 0.00 H new ATOM 0 HG LEU B 33 -3.912 -7.120 -10.017 1.00 0.00 H new ATOM 0 HD11 LEU B 33 -5.539 -8.922 -9.671 1.00 0.00 H new ATOM 0 HD12 LEU B 33 -4.119 -9.100 -8.612 1.00 0.00 H new ATOM 0 HD13 LEU B 33 -5.652 -8.483 -7.950 1.00 0.00 H new ATOM 0 HD21 LEU B 33 -6.307 -6.691 -10.364 1.00 0.00 H new ATOM 0 HD22 LEU B 33 -6.456 -6.170 -8.668 1.00 0.00 H new ATOM 0 HD23 LEU B 33 -5.450 -5.236 -9.801 1.00 0.00 H new ATOM 1641 N PHE B 34 -1.374 -5.140 -6.664 1.00 0.00 N ATOM 1642 CA PHE B 34 -0.641 -4.708 -5.512 1.00 0.00 C ATOM 1643 C PHE B 34 -0.219 -3.253 -5.645 1.00 0.00 C ATOM 1644 O PHE B 34 -0.555 -2.451 -4.800 1.00 0.00 O ATOM 1645 CB PHE B 34 0.561 -5.627 -5.259 1.00 0.00 C ATOM 1646 CG PHE B 34 1.492 -5.149 -4.189 1.00 0.00 C ATOM 1647 CD1 PHE B 34 1.109 -5.162 -2.862 1.00 0.00 C ATOM 1648 CD2 PHE B 34 2.748 -4.663 -4.520 1.00 0.00 C ATOM 1649 CE1 PHE B 34 1.960 -4.704 -1.882 1.00 0.00 C ATOM 1650 CE2 PHE B 34 3.599 -4.202 -3.545 1.00 0.00 C ATOM 1651 CZ PHE B 34 3.209 -4.221 -2.227 1.00 0.00 C ATOM 0 H PHE B 34 -0.918 -5.881 -7.196 1.00 0.00 H new ATOM 0 HA PHE B 34 -1.297 -4.775 -4.644 1.00 0.00 H new ATOM 0 HB2 PHE B 34 0.195 -6.617 -4.989 1.00 0.00 H new ATOM 0 HB3 PHE B 34 1.121 -5.737 -6.188 1.00 0.00 H new ATOM 0 HD1 PHE B 34 0.132 -5.535 -2.591 1.00 0.00 H new ATOM 0 HD2 PHE B 34 3.060 -4.647 -5.554 1.00 0.00 H new ATOM 0 HE1 PHE B 34 1.653 -4.722 -0.847 1.00 0.00 H new ATOM 0 HE2 PHE B 34 4.575 -3.825 -3.814 1.00 0.00 H new ATOM 0 HZ PHE B 34 3.878 -3.859 -1.461 1.00 0.00 H new ATOM 1661 N SER B 35 0.463 -2.911 -6.733 1.00 0.00 N ATOM 1662 CA SER B 35 0.966 -1.557 -6.931 1.00 0.00 C ATOM 1663 C SER B 35 -0.149 -0.513 -6.935 1.00 0.00 C ATOM 1664 O SER B 35 -0.016 0.531 -6.307 1.00 0.00 O ATOM 1665 CB SER B 35 1.833 -1.463 -8.199 1.00 0.00 C ATOM 1666 OG SER B 35 1.147 -1.950 -9.352 1.00 0.00 O ATOM 0 H SER B 35 0.680 -3.555 -7.493 1.00 0.00 H new ATOM 0 HA SER B 35 1.600 -1.329 -6.075 1.00 0.00 H new ATOM 0 HB2 SER B 35 2.126 -0.426 -8.362 1.00 0.00 H new ATOM 0 HB3 SER B 35 2.750 -2.034 -8.054 1.00 0.00 H new ATOM 0 HG SER B 35 1.309 -2.912 -9.447 1.00 0.00 H new ATOM 1672 N ARG B 36 -1.264 -0.824 -7.588 1.00 0.00 N ATOM 1673 CA ARG B 36 -2.370 0.117 -7.661 1.00 0.00 C ATOM 1674 C ARG B 36 -3.051 0.296 -6.312 1.00 0.00 C ATOM 1675 O ARG B 36 -3.446 1.410 -5.957 1.00 0.00 O ATOM 1676 CB ARG B 36 -3.385 -0.267 -8.748 1.00 0.00 C ATOM 1677 CG ARG B 36 -4.076 -1.598 -8.531 1.00 0.00 C ATOM 1678 CD ARG B 36 -4.962 -1.963 -9.697 1.00 0.00 C ATOM 1679 NE ARG B 36 -6.089 -1.034 -9.853 1.00 0.00 N ATOM 1680 CZ ARG B 36 -6.975 -1.067 -10.855 1.00 0.00 C ATOM 1681 NH1 ARG B 36 -6.828 -1.933 -11.853 1.00 0.00 N ATOM 1682 NH2 ARG B 36 -7.988 -0.209 -10.871 1.00 0.00 N ATOM 0 H ARG B 36 -1.423 -1.710 -8.068 1.00 0.00 H new ATOM 0 HA ARG B 36 -1.941 1.078 -7.943 1.00 0.00 H new ATOM 0 HB2 ARG B 36 -4.143 0.514 -8.810 1.00 0.00 H new ATOM 0 HB3 ARG B 36 -2.874 -0.292 -9.710 1.00 0.00 H new ATOM 0 HG2 ARG B 36 -3.328 -2.377 -8.385 1.00 0.00 H new ATOM 0 HG3 ARG B 36 -4.673 -1.554 -7.620 1.00 0.00 H new ATOM 0 HD2 ARG B 36 -4.370 -1.969 -10.612 1.00 0.00 H new ATOM 0 HD3 ARG B 36 -5.344 -2.974 -9.557 1.00 0.00 H new ATOM 0 HE ARG B 36 -6.205 -0.310 -9.144 1.00 0.00 H new ATOM 0 HH11 ARG B 36 -6.037 -2.577 -11.857 1.00 0.00 H new ATOM 0 HH12 ARG B 36 -7.507 -1.954 -12.614 1.00 0.00 H new ATOM 0 HH21 ARG B 36 -8.090 0.474 -10.120 1.00 0.00 H new ATOM 0 HH22 ARG B 36 -8.664 -0.233 -11.634 1.00 0.00 H new ATOM 1696 N ASP B 37 -3.167 -0.777 -5.539 1.00 0.00 N ATOM 1697 CA ASP B 37 -3.839 -0.664 -4.255 1.00 0.00 C ATOM 1698 C ASP B 37 -2.891 -0.087 -3.220 1.00 0.00 C ATOM 1699 O ASP B 37 -3.299 0.619 -2.317 1.00 0.00 O ATOM 1700 CB ASP B 37 -4.422 -1.989 -3.785 1.00 0.00 C ATOM 1701 CG ASP B 37 -5.558 -1.762 -2.809 1.00 0.00 C ATOM 1702 OD1 ASP B 37 -6.700 -1.474 -3.268 1.00 0.00 O ATOM 1703 OD2 ASP B 37 -5.364 -1.861 -1.596 1.00 0.00 O ATOM 0 H ASP B 37 -2.816 -1.707 -5.770 1.00 0.00 H new ATOM 0 HA ASP B 37 -4.681 0.016 -4.384 1.00 0.00 H new ATOM 0 HB2 ASP B 37 -4.782 -2.558 -4.643 1.00 0.00 H new ATOM 0 HB3 ASP B 37 -3.643 -2.586 -3.311 1.00 0.00 H new ATOM 1708 N LEU B 38 -1.615 -0.378 -3.388 1.00 0.00 N ATOM 1709 CA LEU B 38 -0.551 0.199 -2.577 1.00 0.00 C ATOM 1710 C LEU B 38 -0.502 1.702 -2.784 1.00 0.00 C ATOM 1711 O LEU B 38 -0.460 2.466 -1.823 1.00 0.00 O ATOM 1712 CB LEU B 38 0.794 -0.456 -2.948 1.00 0.00 C ATOM 1713 CG LEU B 38 2.087 0.196 -2.443 1.00 0.00 C ATOM 1714 CD1 LEU B 38 2.082 0.367 -0.949 1.00 0.00 C ATOM 1715 CD2 LEU B 38 3.274 -0.641 -2.862 1.00 0.00 C ATOM 0 H LEU B 38 -1.281 -1.029 -4.099 1.00 0.00 H new ATOM 0 HA LEU B 38 -0.748 0.008 -1.522 1.00 0.00 H new ATOM 0 HB2 LEU B 38 0.775 -1.483 -2.582 1.00 0.00 H new ATOM 0 HB3 LEU B 38 0.850 -0.506 -4.035 1.00 0.00 H new ATOM 0 HG LEU B 38 2.157 1.189 -2.887 1.00 0.00 H new ATOM 0 HD11 LEU B 38 3.016 0.832 -0.633 1.00 0.00 H new ATOM 0 HD12 LEU B 38 1.244 1.001 -0.658 1.00 0.00 H new ATOM 0 HD13 LEU B 38 1.982 -0.608 -0.472 1.00 0.00 H new ATOM 0 HD21 LEU B 38 4.192 -0.176 -2.502 1.00 0.00 H new ATOM 0 HD22 LEU B 38 3.183 -1.641 -2.437 1.00 0.00 H new ATOM 0 HD23 LEU B 38 3.304 -0.711 -3.949 1.00 0.00 H new ATOM 1727 N ASP B 39 -0.537 2.112 -4.041 1.00 0.00 N ATOM 1728 CA ASP B 39 -0.532 3.525 -4.409 1.00 0.00 C ATOM 1729 C ASP B 39 -1.751 4.215 -3.796 1.00 0.00 C ATOM 1730 O ASP B 39 -1.659 5.314 -3.247 1.00 0.00 O ATOM 1731 CB ASP B 39 -0.557 3.657 -5.936 1.00 0.00 C ATOM 1732 CG ASP B 39 -0.366 5.070 -6.434 1.00 0.00 C ATOM 1733 OD1 ASP B 39 0.798 5.472 -6.683 1.00 0.00 O ATOM 1734 OD2 ASP B 39 -1.349 5.785 -6.635 1.00 0.00 O ATOM 0 H ASP B 39 -0.570 1.477 -4.838 1.00 0.00 H new ATOM 0 HA ASP B 39 0.372 4.001 -4.029 1.00 0.00 H new ATOM 0 HB2 ASP B 39 0.225 3.025 -6.358 1.00 0.00 H new ATOM 0 HB3 ASP B 39 -1.509 3.277 -6.308 1.00 0.00 H new ATOM 1739 N LYS B 40 -2.876 3.523 -3.848 1.00 0.00 N ATOM 1740 CA LYS B 40 -4.107 3.952 -3.300 1.00 0.00 C ATOM 1741 C LYS B 40 -3.991 4.097 -1.782 1.00 0.00 C ATOM 1742 O LYS B 40 -4.424 5.087 -1.219 1.00 0.00 O ATOM 1743 CB LYS B 40 -5.092 2.879 -3.611 1.00 0.00 C ATOM 1744 CG LYS B 40 -6.496 3.200 -3.274 1.00 0.00 C ATOM 1745 CD LYS B 40 -7.374 1.972 -3.425 1.00 0.00 C ATOM 1746 CE LYS B 40 -7.361 1.426 -4.847 1.00 0.00 C ATOM 1747 NZ LYS B 40 -8.075 0.147 -4.935 1.00 0.00 N ATOM 0 H LYS B 40 -2.936 2.609 -4.298 1.00 0.00 H new ATOM 0 HA LYS B 40 -4.403 4.917 -3.712 1.00 0.00 H new ATOM 0 HB2 LYS B 40 -5.033 2.650 -4.675 1.00 0.00 H new ATOM 0 HB3 LYS B 40 -4.803 1.975 -3.074 1.00 0.00 H new ATOM 0 HG2 LYS B 40 -6.554 3.572 -2.251 1.00 0.00 H new ATOM 0 HG3 LYS B 40 -6.859 3.996 -3.924 1.00 0.00 H new ATOM 0 HD2 LYS B 40 -7.034 1.198 -2.737 1.00 0.00 H new ATOM 0 HD3 LYS B 40 -8.397 2.222 -3.143 1.00 0.00 H new ATOM 0 HE2 LYS B 40 -7.822 2.149 -5.520 1.00 0.00 H new ATOM 0 HE3 LYS B 40 -6.331 1.293 -5.178 1.00 0.00 H new ATOM 0 HZ1 LYS B 40 -7.934 -0.265 -5.879 1.00 0.00 H new ATOM 0 HZ2 LYS B 40 -7.707 -0.506 -4.214 1.00 0.00 H new ATOM 0 HZ3 LYS B 40 -9.090 0.304 -4.774 1.00 0.00 H new ATOM 1761 N LEU B 41 -3.412 3.087 -1.143 1.00 0.00 N ATOM 1762 CA LEU B 41 -3.209 3.061 0.300 1.00 0.00 C ATOM 1763 C LEU B 41 -2.368 4.245 0.738 1.00 0.00 C ATOM 1764 O LEU B 41 -2.646 4.875 1.763 1.00 0.00 O ATOM 1765 CB LEU B 41 -2.543 1.743 0.723 1.00 0.00 C ATOM 1766 CG LEU B 41 -2.241 1.574 2.219 1.00 0.00 C ATOM 1767 CD1 LEU B 41 -3.516 1.632 3.048 1.00 0.00 C ATOM 1768 CD2 LEU B 41 -1.503 0.270 2.463 1.00 0.00 C ATOM 0 H LEU B 41 -3.066 2.253 -1.618 1.00 0.00 H new ATOM 0 HA LEU B 41 -4.181 3.129 0.788 1.00 0.00 H new ATOM 0 HB2 LEU B 41 -3.186 0.921 0.410 1.00 0.00 H new ATOM 0 HB3 LEU B 41 -1.607 1.642 0.173 1.00 0.00 H new ATOM 0 HG LEU B 41 -1.603 2.401 2.532 1.00 0.00 H new ATOM 0 HD11 LEU B 41 -3.270 1.509 4.103 1.00 0.00 H new ATOM 0 HD12 LEU B 41 -4.004 2.595 2.899 1.00 0.00 H new ATOM 0 HD13 LEU B 41 -4.189 0.833 2.737 1.00 0.00 H new ATOM 0 HD21 LEU B 41 -1.295 0.163 3.528 1.00 0.00 H new ATOM 0 HD22 LEU B 41 -2.119 -0.565 2.128 1.00 0.00 H new ATOM 0 HD23 LEU B 41 -0.564 0.274 1.909 1.00 0.00 H new ATOM 1780 N ILE B 42 -1.375 4.564 -0.049 1.00 0.00 N ATOM 1781 CA ILE B 42 -0.538 5.695 0.240 1.00 0.00 C ATOM 1782 C ILE B 42 -1.346 6.974 0.099 1.00 0.00 C ATOM 1783 O ILE B 42 -1.459 7.726 1.055 1.00 0.00 O ATOM 1784 CB ILE B 42 0.735 5.716 -0.634 1.00 0.00 C ATOM 1785 CG1 ILE B 42 1.559 4.467 -0.341 1.00 0.00 C ATOM 1786 CG2 ILE B 42 1.565 6.969 -0.361 1.00 0.00 C ATOM 1787 CD1 ILE B 42 2.812 4.360 -1.151 1.00 0.00 C ATOM 0 H ILE B 42 -1.127 4.054 -0.897 1.00 0.00 H new ATOM 0 HA ILE B 42 -0.190 5.614 1.270 1.00 0.00 H new ATOM 0 HB ILE B 42 0.444 5.730 -1.684 1.00 0.00 H new ATOM 0 HG12 ILE B 42 1.821 4.457 0.717 1.00 0.00 H new ATOM 0 HG13 ILE B 42 0.943 3.587 -0.525 1.00 0.00 H new ATOM 0 HG21 ILE B 42 2.456 6.959 -0.989 1.00 0.00 H new ATOM 0 HG22 ILE B 42 0.971 7.855 -0.587 1.00 0.00 H new ATOM 0 HG23 ILE B 42 1.861 6.988 0.688 1.00 0.00 H new ATOM 0 HD11 ILE B 42 3.341 3.445 -0.884 1.00 0.00 H new ATOM 0 HD12 ILE B 42 2.559 4.336 -2.211 1.00 0.00 H new ATOM 0 HD13 ILE B 42 3.450 5.220 -0.949 1.00 0.00 H new ATOM 1799 N ASN B 43 -1.971 7.167 -1.071 1.00 0.00 N ATOM 1800 CA ASN B 43 -2.858 8.335 -1.338 1.00 0.00 C ATOM 1801 C ASN B 43 -3.919 8.504 -0.251 1.00 0.00 C ATOM 1802 O ASN B 43 -4.265 9.622 0.119 1.00 0.00 O ATOM 1803 CB ASN B 43 -3.562 8.238 -2.710 1.00 0.00 C ATOM 1804 CG ASN B 43 -2.696 8.621 -3.904 1.00 0.00 C ATOM 1805 OD1 ASN B 43 -2.632 9.780 -4.291 1.00 0.00 O ATOM 1806 ND2 ASN B 43 -2.048 7.678 -4.501 1.00 0.00 N ATOM 0 H ASN B 43 -1.884 6.529 -1.862 1.00 0.00 H new ATOM 0 HA ASN B 43 -2.202 9.205 -1.341 1.00 0.00 H new ATOM 0 HB2 ASN B 43 -3.916 7.216 -2.849 1.00 0.00 H new ATOM 0 HB3 ASN B 43 -4.442 8.881 -2.697 1.00 0.00 H new ATOM 0 HD21 ASN B 43 -1.468 7.892 -5.312 1.00 0.00 H new ATOM 0 HD22 ASN B 43 -2.116 6.719 -4.161 1.00 0.00 H new ATOM 1813 N LYS B 44 -4.414 7.386 0.249 1.00 0.00 N ATOM 1814 CA LYS B 44 -5.391 7.337 1.329 1.00 0.00 C ATOM 1815 C LYS B 44 -4.844 8.077 2.551 1.00 0.00 C ATOM 1816 O LYS B 44 -5.470 9.003 3.062 1.00 0.00 O ATOM 1817 CB LYS B 44 -5.660 5.869 1.687 1.00 0.00 C ATOM 1818 CG LYS B 44 -6.752 5.635 2.719 1.00 0.00 C ATOM 1819 CD LYS B 44 -6.869 4.150 3.096 1.00 0.00 C ATOM 1820 CE LYS B 44 -7.054 3.263 1.866 1.00 0.00 C ATOM 1821 NZ LYS B 44 -7.328 1.850 2.217 1.00 0.00 N ATOM 0 H LYS B 44 -4.143 6.463 -0.091 1.00 0.00 H new ATOM 0 HA LYS B 44 -6.318 7.815 1.013 1.00 0.00 H new ATOM 0 HB2 LYS B 44 -5.926 5.334 0.775 1.00 0.00 H new ATOM 0 HB3 LYS B 44 -4.734 5.428 2.057 1.00 0.00 H new ATOM 0 HG2 LYS B 44 -6.540 6.222 3.613 1.00 0.00 H new ATOM 0 HG3 LYS B 44 -7.706 5.987 2.326 1.00 0.00 H new ATOM 0 HD2 LYS B 44 -5.974 3.841 3.635 1.00 0.00 H new ATOM 0 HD3 LYS B 44 -7.712 4.013 3.773 1.00 0.00 H new ATOM 0 HE2 LYS B 44 -7.876 3.650 1.264 1.00 0.00 H new ATOM 0 HE3 LYS B 44 -6.157 3.313 1.249 1.00 0.00 H new ATOM 0 HZ1 LYS B 44 -7.445 1.293 1.347 1.00 0.00 H new ATOM 0 HZ2 LYS B 44 -6.533 1.469 2.768 1.00 0.00 H new ATOM 0 HZ3 LYS B 44 -8.199 1.795 2.783 1.00 0.00 H new ATOM 1835 N PHE B 45 -3.652 7.698 2.966 1.00 0.00 N ATOM 1836 CA PHE B 45 -3.005 8.295 4.122 1.00 0.00 C ATOM 1837 C PHE B 45 -2.440 9.682 3.835 1.00 0.00 C ATOM 1838 O PHE B 45 -2.333 10.517 4.737 1.00 0.00 O ATOM 1839 CB PHE B 45 -1.949 7.373 4.699 1.00 0.00 C ATOM 1840 CG PHE B 45 -2.524 6.264 5.525 1.00 0.00 C ATOM 1841 CD1 PHE B 45 -3.083 5.137 4.941 1.00 0.00 C ATOM 1842 CD2 PHE B 45 -2.521 6.366 6.899 1.00 0.00 C ATOM 1843 CE1 PHE B 45 -3.617 4.134 5.720 1.00 0.00 C ATOM 1844 CE2 PHE B 45 -3.056 5.368 7.685 1.00 0.00 C ATOM 1845 CZ PHE B 45 -3.605 4.248 7.094 1.00 0.00 C ATOM 0 H PHE B 45 -3.103 6.968 2.513 1.00 0.00 H new ATOM 0 HA PHE B 45 -3.781 8.432 4.875 1.00 0.00 H new ATOM 0 HB2 PHE B 45 -1.364 6.946 3.884 1.00 0.00 H new ATOM 0 HB3 PHE B 45 -1.262 7.956 5.312 1.00 0.00 H new ATOM 0 HD1 PHE B 45 -3.100 5.045 3.865 1.00 0.00 H new ATOM 0 HD2 PHE B 45 -2.093 7.240 7.367 1.00 0.00 H new ATOM 0 HE1 PHE B 45 -4.045 3.258 5.254 1.00 0.00 H new ATOM 0 HE2 PHE B 45 -3.046 5.462 8.761 1.00 0.00 H new ATOM 0 HZ PHE B 45 -4.024 3.463 7.706 1.00 0.00 H new ATOM 1855 N MET B 46 -2.100 9.939 2.574 1.00 0.00 N ATOM 1856 CA MET B 46 -1.638 11.272 2.135 1.00 0.00 C ATOM 1857 C MET B 46 -2.824 12.232 2.143 1.00 0.00 C ATOM 1858 O MET B 46 -2.665 13.450 2.029 1.00 0.00 O ATOM 1859 CB MET B 46 -1.051 11.215 0.717 1.00 0.00 C ATOM 1860 CG MET B 46 0.059 10.196 0.545 1.00 0.00 C ATOM 1861 SD MET B 46 0.851 10.265 -1.066 1.00 0.00 S ATOM 1862 CE MET B 46 1.711 11.806 -0.902 1.00 0.00 C ATOM 0 H MET B 46 -2.133 9.244 1.828 1.00 0.00 H new ATOM 0 HA MET B 46 -0.860 11.613 2.818 1.00 0.00 H new ATOM 0 HB2 MET B 46 -1.851 10.986 0.013 1.00 0.00 H new ATOM 0 HB3 MET B 46 -0.668 12.201 0.454 1.00 0.00 H new ATOM 0 HG2 MET B 46 0.811 10.355 1.318 1.00 0.00 H new ATOM 0 HG3 MET B 46 -0.349 9.197 0.698 1.00 0.00 H new ATOM 0 HE1 MET B 46 2.647 11.761 -1.458 1.00 0.00 H new ATOM 0 HE2 MET B 46 1.092 12.612 -1.297 1.00 0.00 H new ATOM 0 HE3 MET B 46 1.923 11.994 0.151 1.00 0.00 H new