USER MOD reduce.3.24.130724 H: found=0, std=0, add=764, rem=0, adj=22 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= 0.385 F(o=-4.2,f=-1.6) USER MOD Set 1.2: B 46 MET CE :methyl 166:sc= -1.96 (180deg=-2.73) USER MOD Set 2.1: A 46 MET CE :methyl 144:sc= -2.05 (180deg=-5.47!) USER MOD Set 2.2: B 24 HIS :FLIP no HD1:sc= -0.2 F(o=-3.3,f=-2.2) USER MOD Set 3.1: A 5 GLN : amide:sc= 0.0128 K(o=1.3,f=-1.9) USER MOD Set 3.2: A 8 ASN : amide:sc= 0.164 K(o=1.3,f=-1.6!) USER MOD Set 3.3: A 12 ASN : amide:sc= 1.11 K(o=1.3,f=0.22) USER MOD Set 4.1: A 7 LYS NZ :NH3+ -178:sc= 1.75 (180deg=1.2) USER MOD Set 4.2: A 43 ASN : amide:sc= 0.419 K(o=2.2,f=-4.7!) USER MOD Single : A 9 LYS NZ :NH3+ 172:sc=-0.00496 (180deg=-0.102) USER MOD Single : A 13 LYS NZ :NH3+ -172:sc= 1.26 (180deg=1.14) USER MOD Single : A 14 LYS NZ :NH3+ 176:sc= 1.9 (180deg=1.73) USER MOD Single : A 15 LYS NZ :NH3+ -158:sc= -0.134 (180deg=-0.56) USER MOD Single : A 19 GLN :FLIP amide:sc= -1 F(o=-2.9!,f=-1) USER MOD Single : A 28 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 30 LYS NZ :NH3+ -171:sc= 0.825 (180deg=0.344) USER MOD Single : A 35 SER OG : rot -95:sc= 1.28 USER MOD Single : A 40 LYS NZ :NH3+ -133:sc= 0.321 (180deg=-0.889!) USER MOD Single : A 44 LYS NZ :NH3+ -172:sc= -0.0135 (180deg=-0.112) USER MOD Single : B 7 LYS NZ :NH3+ -150:sc= 1.24 (180deg=1.03) USER MOD Single : B 8 ASN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : B 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 12 ASN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : B 13 LYS NZ :NH3+ -158:sc= 1.26 (180deg=1.21) USER MOD Single : B 14 LYS NZ :NH3+ -176:sc= 1.15 (180deg=0.968) USER MOD Single : B 15 LYS NZ :NH3+ -175:sc= 0.686 (180deg=0.611) USER MOD Single : B 19 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : B 28 HIS : no HD1:sc= -0.215 X(o=-0.22,f=0) USER MOD Single : B 30 LYS NZ :NH3+ 177:sc= 1.07 (180deg=1.05) USER MOD Single : B 35 SER OG : rot -80:sc= 1.22 USER MOD Single : B 40 LYS NZ :NH3+ 150:sc= -1.39! (180deg=-3.01!) USER MOD Single : B 43 ASN : amide:sc=-0.00177 K(o=-0.0018,f=-0.6) USER MOD Single : B 44 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0268) USER MOD ----------------------------------------------------------------- ATOM 59 N GLN A 5 16.234 -13.344 3.644 1.00 0.00 N ATOM 60 CA GLN A 5 16.827 -12.029 3.449 1.00 0.00 C ATOM 61 C GLN A 5 16.034 -11.210 2.439 1.00 0.00 C ATOM 62 O GLN A 5 16.085 -9.982 2.446 1.00 0.00 O ATOM 63 CB GLN A 5 18.290 -12.141 3.035 1.00 0.00 C ATOM 64 CG GLN A 5 19.188 -12.652 4.145 1.00 0.00 C ATOM 65 CD GLN A 5 19.204 -11.711 5.333 1.00 0.00 C ATOM 66 OE1 GLN A 5 18.389 -11.823 6.251 1.00 0.00 O ATOM 67 NE2 GLN A 5 20.120 -10.779 5.333 1.00 0.00 N ATOM 0 HA GLN A 5 16.789 -11.505 4.404 1.00 0.00 H new ATOM 0 HB2 GLN A 5 18.368 -12.809 2.177 1.00 0.00 H new ATOM 0 HB3 GLN A 5 18.645 -11.163 2.711 1.00 0.00 H new ATOM 0 HG2 GLN A 5 18.846 -13.636 4.465 1.00 0.00 H new ATOM 0 HG3 GLN A 5 20.202 -12.775 3.765 1.00 0.00 H new ATOM 0 HE21 GLN A 5 20.780 -10.713 4.558 1.00 0.00 H new ATOM 0 HE22 GLN A 5 20.175 -10.118 6.108 1.00 0.00 H new ATOM 76 N LEU A 6 15.299 -11.897 1.585 1.00 0.00 N ATOM 77 CA LEU A 6 14.410 -11.263 0.630 1.00 0.00 C ATOM 78 C LEU A 6 13.262 -10.607 1.411 1.00 0.00 C ATOM 79 O LEU A 6 12.960 -9.435 1.210 1.00 0.00 O ATOM 80 CB LEU A 6 13.924 -12.327 -0.413 1.00 0.00 C ATOM 81 CG LEU A 6 13.009 -11.902 -1.598 1.00 0.00 C ATOM 82 CD1 LEU A 6 11.584 -11.642 -1.163 1.00 0.00 C ATOM 83 CD2 LEU A 6 13.576 -10.697 -2.333 1.00 0.00 C ATOM 0 H LEU A 6 15.302 -12.916 1.534 1.00 0.00 H new ATOM 0 HA LEU A 6 14.914 -10.482 0.061 1.00 0.00 H new ATOM 0 HB2 LEU A 6 14.813 -12.789 -0.841 1.00 0.00 H new ATOM 0 HB3 LEU A 6 13.396 -13.104 0.140 1.00 0.00 H new ATOM 0 HG LEU A 6 12.986 -12.745 -2.288 1.00 0.00 H new ATOM 0 HD11 LEU A 6 10.988 -11.349 -2.027 1.00 0.00 H new ATOM 0 HD12 LEU A 6 11.166 -12.548 -0.724 1.00 0.00 H new ATOM 0 HD13 LEU A 6 11.570 -10.841 -0.424 1.00 0.00 H new ATOM 0 HD21 LEU A 6 12.913 -10.427 -3.154 1.00 0.00 H new ATOM 0 HD22 LEU A 6 13.661 -9.857 -1.644 1.00 0.00 H new ATOM 0 HD23 LEU A 6 14.562 -10.943 -2.728 1.00 0.00 H new ATOM 95 N LYS A 7 12.678 -11.356 2.349 1.00 0.00 N ATOM 96 CA LYS A 7 11.617 -10.827 3.218 1.00 0.00 C ATOM 97 C LYS A 7 12.155 -9.733 4.107 1.00 0.00 C ATOM 98 O LYS A 7 11.473 -8.753 4.374 1.00 0.00 O ATOM 99 CB LYS A 7 10.986 -11.933 4.066 1.00 0.00 C ATOM 100 CG LYS A 7 9.547 -12.238 3.689 1.00 0.00 C ATOM 101 CD LYS A 7 8.564 -11.119 4.112 1.00 0.00 C ATOM 102 CE LYS A 7 8.219 -11.189 5.590 1.00 0.00 C ATOM 103 NZ LYS A 7 7.113 -10.268 5.965 1.00 0.00 N ATOM 0 H LYS A 7 12.920 -12.331 2.528 1.00 0.00 H new ATOM 0 HA LYS A 7 10.842 -10.410 2.575 1.00 0.00 H new ATOM 0 HB2 LYS A 7 11.580 -12.841 3.965 1.00 0.00 H new ATOM 0 HB3 LYS A 7 11.025 -11.642 5.116 1.00 0.00 H new ATOM 0 HG2 LYS A 7 9.482 -12.383 2.611 1.00 0.00 H new ATOM 0 HG3 LYS A 7 9.245 -13.176 4.156 1.00 0.00 H new ATOM 0 HD2 LYS A 7 9.004 -10.147 3.889 1.00 0.00 H new ATOM 0 HD3 LYS A 7 7.650 -11.198 3.523 1.00 0.00 H new ATOM 0 HE2 LYS A 7 7.938 -12.211 5.845 1.00 0.00 H new ATOM 0 HE3 LYS A 7 9.104 -10.946 6.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 6.941 -10.331 6.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 7.374 -9.292 5.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 6.249 -10.536 5.452 1.00 0.00 H new ATOM 117 N ASN A 8 13.392 -9.911 4.540 1.00 0.00 N ATOM 118 CA ASN A 8 14.094 -8.935 5.374 1.00 0.00 C ATOM 119 C ASN A 8 14.181 -7.597 4.617 1.00 0.00 C ATOM 120 O ASN A 8 13.889 -6.525 5.173 1.00 0.00 O ATOM 121 CB ASN A 8 15.517 -9.462 5.698 1.00 0.00 C ATOM 122 CG ASN A 8 16.301 -8.639 6.729 1.00 0.00 C ATOM 123 OD1 ASN A 8 16.095 -7.439 6.898 1.00 0.00 O ATOM 124 ND2 ASN A 8 17.236 -9.269 7.387 1.00 0.00 N ATOM 0 H ASN A 8 13.946 -10.740 4.324 1.00 0.00 H new ATOM 0 HA ASN A 8 13.553 -8.784 6.308 1.00 0.00 H new ATOM 0 HB2 ASN A 8 15.433 -10.486 6.062 1.00 0.00 H new ATOM 0 HB3 ASN A 8 16.093 -9.499 4.773 1.00 0.00 H new ATOM 0 HD21 ASN A 8 17.815 -8.765 8.059 1.00 0.00 H new ATOM 0 HD22 ASN A 8 17.388 -10.265 7.229 1.00 0.00 H new ATOM 131 N LYS A 9 14.554 -7.673 3.343 1.00 0.00 N ATOM 132 CA LYS A 9 14.629 -6.494 2.497 1.00 0.00 C ATOM 133 C LYS A 9 13.253 -5.921 2.210 1.00 0.00 C ATOM 134 O LYS A 9 13.100 -4.709 2.147 1.00 0.00 O ATOM 135 CB LYS A 9 15.391 -6.760 1.203 1.00 0.00 C ATOM 136 CG LYS A 9 16.875 -6.995 1.407 1.00 0.00 C ATOM 137 CD LYS A 9 17.587 -7.171 0.082 1.00 0.00 C ATOM 138 CE LYS A 9 19.089 -7.334 0.266 1.00 0.00 C ATOM 139 NZ LYS A 9 19.431 -8.547 1.041 1.00 0.00 N ATOM 0 H LYS A 9 14.809 -8.543 2.876 1.00 0.00 H new ATOM 0 HA LYS A 9 15.192 -5.747 3.056 1.00 0.00 H new ATOM 0 HB2 LYS A 9 14.959 -7.631 0.710 1.00 0.00 H new ATOM 0 HB3 LYS A 9 15.255 -5.913 0.531 1.00 0.00 H new ATOM 0 HG2 LYS A 9 17.309 -6.153 1.947 1.00 0.00 H new ATOM 0 HG3 LYS A 9 17.024 -7.881 2.024 1.00 0.00 H new ATOM 0 HD2 LYS A 9 17.187 -8.044 -0.433 1.00 0.00 H new ATOM 0 HD3 LYS A 9 17.390 -6.308 -0.554 1.00 0.00 H new ATOM 0 HE2 LYS A 9 19.569 -7.382 -0.711 1.00 0.00 H new ATOM 0 HE3 LYS A 9 19.488 -6.456 0.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 20.461 -8.690 1.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 19.112 -8.432 2.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 18.961 -9.373 0.619 1.00 0.00 H new ATOM 153 N ILE A 10 12.258 -6.788 2.042 1.00 0.00 N ATOM 154 CA ILE A 10 10.874 -6.343 1.858 1.00 0.00 C ATOM 155 C ILE A 10 10.432 -5.504 3.049 1.00 0.00 C ATOM 156 O ILE A 10 9.925 -4.394 2.872 1.00 0.00 O ATOM 157 CB ILE A 10 9.883 -7.532 1.631 1.00 0.00 C ATOM 158 CG1 ILE A 10 10.150 -8.183 0.270 1.00 0.00 C ATOM 159 CG2 ILE A 10 8.419 -7.083 1.742 1.00 0.00 C ATOM 160 CD1 ILE A 10 9.235 -9.339 -0.058 1.00 0.00 C ATOM 0 H ILE A 10 12.381 -7.801 2.029 1.00 0.00 H new ATOM 0 HA ILE A 10 10.849 -5.735 0.954 1.00 0.00 H new ATOM 0 HB ILE A 10 10.054 -8.267 2.417 1.00 0.00 H new ATOM 0 HG12 ILE A 10 10.051 -7.425 -0.507 1.00 0.00 H new ATOM 0 HG13 ILE A 10 11.182 -8.533 0.244 1.00 0.00 H new ATOM 0 HG21 ILE A 10 7.763 -7.938 1.578 1.00 0.00 H new ATOM 0 HG22 ILE A 10 8.239 -6.672 2.735 1.00 0.00 H new ATOM 0 HG23 ILE A 10 8.215 -6.320 0.991 1.00 0.00 H new ATOM 0 HD11 ILE A 10 9.493 -9.741 -1.038 1.00 0.00 H new ATOM 0 HD12 ILE A 10 9.349 -10.119 0.695 1.00 0.00 H new ATOM 0 HD13 ILE A 10 8.201 -8.993 -0.068 1.00 0.00 H new ATOM 172 N GLU A 11 10.672 -6.024 4.252 1.00 0.00 N ATOM 173 CA GLU A 11 10.360 -5.318 5.490 1.00 0.00 C ATOM 174 C GLU A 11 11.036 -3.955 5.519 1.00 0.00 C ATOM 175 O GLU A 11 10.388 -2.934 5.740 1.00 0.00 O ATOM 176 CB GLU A 11 10.794 -6.136 6.714 1.00 0.00 C ATOM 177 CG GLU A 11 10.036 -7.441 6.908 1.00 0.00 C ATOM 178 CD GLU A 11 8.564 -7.211 7.057 1.00 0.00 C ATOM 179 OE1 GLU A 11 8.149 -6.552 8.026 1.00 0.00 O ATOM 180 OE2 GLU A 11 7.774 -7.666 6.201 1.00 0.00 O ATOM 0 H GLU A 11 11.087 -6.945 4.394 1.00 0.00 H new ATOM 0 HA GLU A 11 9.280 -5.179 5.527 1.00 0.00 H new ATOM 0 HB2 GLU A 11 11.857 -6.359 6.627 1.00 0.00 H new ATOM 0 HB3 GLU A 11 10.669 -5.523 7.607 1.00 0.00 H new ATOM 0 HG2 GLU A 11 10.217 -8.097 6.056 1.00 0.00 H new ATOM 0 HG3 GLU A 11 10.415 -7.954 7.792 1.00 0.00 H new ATOM 187 N ASN A 12 12.323 -3.955 5.257 1.00 0.00 N ATOM 188 CA ASN A 12 13.136 -2.775 5.240 1.00 0.00 C ATOM 189 C ASN A 12 12.701 -1.761 4.205 1.00 0.00 C ATOM 190 O ASN A 12 12.552 -0.598 4.530 1.00 0.00 O ATOM 191 CB ASN A 12 14.591 -3.148 5.040 1.00 0.00 C ATOM 192 CG ASN A 12 15.309 -3.445 6.334 1.00 0.00 C ATOM 193 OD1 ASN A 12 15.900 -2.556 6.941 1.00 0.00 O ATOM 194 ND2 ASN A 12 15.284 -4.671 6.768 1.00 0.00 N ATOM 0 H ASN A 12 12.843 -4.806 5.044 1.00 0.00 H new ATOM 0 HA ASN A 12 13.009 -2.294 6.210 1.00 0.00 H new ATOM 0 HB2 ASN A 12 14.650 -4.021 4.390 1.00 0.00 H new ATOM 0 HB3 ASN A 12 15.102 -2.333 4.527 1.00 0.00 H new ATOM 0 HD21 ASN A 12 15.764 -4.915 7.634 1.00 0.00 H new ATOM 0 HD22 ASN A 12 14.785 -5.388 6.242 1.00 0.00 H new ATOM 201 N LYS A 13 12.465 -2.204 2.979 1.00 0.00 N ATOM 202 CA LYS A 13 12.110 -1.305 1.880 1.00 0.00 C ATOM 203 C LYS A 13 10.724 -0.692 2.121 1.00 0.00 C ATOM 204 O LYS A 13 10.493 0.483 1.838 1.00 0.00 O ATOM 205 CB LYS A 13 12.177 -2.057 0.535 1.00 0.00 C ATOM 206 CG LYS A 13 12.186 -1.161 -0.709 1.00 0.00 C ATOM 207 CD LYS A 13 13.379 -0.194 -0.706 1.00 0.00 C ATOM 208 CE LYS A 13 14.740 -0.893 -0.756 1.00 0.00 C ATOM 209 NZ LYS A 13 15.013 -1.511 -2.069 1.00 0.00 N ATOM 0 H LYS A 13 12.512 -3.188 2.714 1.00 0.00 H new ATOM 0 HA LYS A 13 12.829 -0.487 1.838 1.00 0.00 H new ATOM 0 HB2 LYS A 13 13.075 -2.675 0.526 1.00 0.00 H new ATOM 0 HB3 LYS A 13 11.324 -2.733 0.471 1.00 0.00 H new ATOM 0 HG2 LYS A 13 12.224 -1.782 -1.604 1.00 0.00 H new ATOM 0 HG3 LYS A 13 11.257 -0.592 -0.754 1.00 0.00 H new ATOM 0 HD2 LYS A 13 13.294 0.477 -1.561 1.00 0.00 H new ATOM 0 HD3 LYS A 13 13.331 0.425 0.190 1.00 0.00 H new ATOM 0 HE2 LYS A 13 15.524 -0.171 -0.529 1.00 0.00 H new ATOM 0 HE3 LYS A 13 14.779 -1.660 0.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 15.879 -2.083 -2.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 14.214 -2.119 -2.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 15.138 -0.766 -2.784 1.00 0.00 H new ATOM 223 N LYS A 14 9.829 -1.506 2.663 1.00 0.00 N ATOM 224 CA LYS A 14 8.510 -1.101 3.094 1.00 0.00 C ATOM 225 C LYS A 14 8.659 0.013 4.119 1.00 0.00 C ATOM 226 O LYS A 14 8.077 1.076 3.981 1.00 0.00 O ATOM 227 CB LYS A 14 7.838 -2.322 3.732 1.00 0.00 C ATOM 228 CG LYS A 14 6.445 -2.122 4.295 1.00 0.00 C ATOM 229 CD LYS A 14 5.927 -3.415 4.933 1.00 0.00 C ATOM 230 CE LYS A 14 6.725 -3.801 6.166 1.00 0.00 C ATOM 231 NZ LYS A 14 6.337 -5.131 6.685 1.00 0.00 N ATOM 0 H LYS A 14 10.013 -2.497 2.817 1.00 0.00 H new ATOM 0 HA LYS A 14 7.908 -0.739 2.261 1.00 0.00 H new ATOM 0 HB2 LYS A 14 7.791 -3.113 2.984 1.00 0.00 H new ATOM 0 HB3 LYS A 14 8.480 -2.681 4.536 1.00 0.00 H new ATOM 0 HG2 LYS A 14 6.459 -1.324 5.038 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.768 -1.806 3.501 1.00 0.00 H new ATOM 0 HD2 LYS A 14 4.879 -3.291 5.204 1.00 0.00 H new ATOM 0 HD3 LYS A 14 5.974 -4.223 4.203 1.00 0.00 H new ATOM 0 HE2 LYS A 14 7.788 -3.803 5.924 1.00 0.00 H new ATOM 0 HE3 LYS A 14 6.576 -3.051 6.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 6.952 -5.384 7.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 5.347 -5.104 7.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 6.439 -5.841 5.932 1.00 0.00 H new ATOM 245 N LYS A 15 9.485 -0.243 5.127 1.00 0.00 N ATOM 246 CA LYS A 15 9.778 0.721 6.180 1.00 0.00 C ATOM 247 C LYS A 15 10.410 1.991 5.638 1.00 0.00 C ATOM 248 O LYS A 15 10.083 3.080 6.095 1.00 0.00 O ATOM 249 CB LYS A 15 10.639 0.076 7.256 1.00 0.00 C ATOM 250 CG LYS A 15 9.864 -0.877 8.149 1.00 0.00 C ATOM 251 CD LYS A 15 10.792 -1.811 8.889 1.00 0.00 C ATOM 252 CE LYS A 15 10.086 -2.545 10.016 1.00 0.00 C ATOM 253 NZ LYS A 15 9.519 -1.621 11.034 1.00 0.00 N ATOM 0 H LYS A 15 9.973 -1.132 5.237 1.00 0.00 H new ATOM 0 HA LYS A 15 8.832 1.023 6.631 1.00 0.00 H new ATOM 0 HB2 LYS A 15 11.458 -0.465 6.782 1.00 0.00 H new ATOM 0 HB3 LYS A 15 11.087 0.857 7.871 1.00 0.00 H new ATOM 0 HG2 LYS A 15 9.271 -0.307 8.865 1.00 0.00 H new ATOM 0 HG3 LYS A 15 9.165 -1.457 7.546 1.00 0.00 H new ATOM 0 HD2 LYS A 15 11.209 -2.536 8.190 1.00 0.00 H new ATOM 0 HD3 LYS A 15 11.629 -1.243 9.295 1.00 0.00 H new ATOM 0 HE2 LYS A 15 9.286 -3.157 9.600 1.00 0.00 H new ATOM 0 HE3 LYS A 15 10.789 -3.224 10.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 9.389 -2.131 11.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 10.171 -0.824 11.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 8.601 -1.262 10.703 1.00 0.00 H new ATOM 267 N GLU A 16 11.291 1.848 4.654 1.00 0.00 N ATOM 268 CA GLU A 16 11.908 2.990 3.984 1.00 0.00 C ATOM 269 C GLU A 16 10.841 3.890 3.391 1.00 0.00 C ATOM 270 O GLU A 16 10.913 5.115 3.506 1.00 0.00 O ATOM 271 CB GLU A 16 12.871 2.531 2.893 1.00 0.00 C ATOM 272 CG GLU A 16 14.145 1.903 3.410 1.00 0.00 C ATOM 273 CD GLU A 16 14.996 2.896 4.154 1.00 0.00 C ATOM 274 OE1 GLU A 16 15.649 3.732 3.494 1.00 0.00 O ATOM 275 OE2 GLU A 16 15.031 2.864 5.404 1.00 0.00 O ATOM 0 H GLU A 16 11.597 0.942 4.299 1.00 0.00 H new ATOM 0 HA GLU A 16 12.476 3.551 4.726 1.00 0.00 H new ATOM 0 HB2 GLU A 16 12.360 1.812 2.253 1.00 0.00 H new ATOM 0 HB3 GLU A 16 13.129 3.387 2.269 1.00 0.00 H new ATOM 0 HG2 GLU A 16 13.898 1.070 4.069 1.00 0.00 H new ATOM 0 HG3 GLU A 16 14.712 1.492 2.575 1.00 0.00 H new ATOM 282 N LEU A 17 9.838 3.269 2.801 1.00 0.00 N ATOM 283 CA LEU A 17 8.722 3.979 2.243 1.00 0.00 C ATOM 284 C LEU A 17 7.907 4.620 3.338 1.00 0.00 C ATOM 285 O LEU A 17 7.549 5.791 3.230 1.00 0.00 O ATOM 286 CB LEU A 17 7.884 3.041 1.313 1.00 0.00 C ATOM 287 CG LEU A 17 6.396 3.389 1.008 1.00 0.00 C ATOM 288 CD1 LEU A 17 5.474 2.985 2.131 1.00 0.00 C ATOM 289 CD2 LEU A 17 6.203 4.845 0.604 1.00 0.00 C ATOM 0 H LEU A 17 9.781 2.256 2.699 1.00 0.00 H new ATOM 0 HA LEU A 17 9.084 4.791 1.612 1.00 0.00 H new ATOM 0 HB2 LEU A 17 8.406 2.977 0.358 1.00 0.00 H new ATOM 0 HB3 LEU A 17 7.902 2.044 1.754 1.00 0.00 H new ATOM 0 HG LEU A 17 6.117 2.792 0.140 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.448 3.248 1.872 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.544 1.909 2.290 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.763 3.506 3.044 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.148 5.030 0.404 1.00 0.00 H new ATOM 0 HD22 LEU A 17 6.538 5.494 1.413 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.785 5.054 -0.294 1.00 0.00 H new ATOM 301 N ILE A 18 7.630 3.866 4.392 1.00 0.00 N ATOM 302 CA ILE A 18 6.814 4.360 5.488 1.00 0.00 C ATOM 303 C ILE A 18 7.429 5.621 6.069 1.00 0.00 C ATOM 304 O ILE A 18 6.736 6.576 6.320 1.00 0.00 O ATOM 305 CB ILE A 18 6.613 3.314 6.607 1.00 0.00 C ATOM 306 CG1 ILE A 18 6.032 2.026 6.028 1.00 0.00 C ATOM 307 CG2 ILE A 18 5.649 3.883 7.643 1.00 0.00 C ATOM 308 CD1 ILE A 18 6.038 0.858 6.986 1.00 0.00 C ATOM 0 H ILE A 18 7.960 2.908 4.510 1.00 0.00 H new ATOM 0 HA ILE A 18 5.830 4.580 5.073 1.00 0.00 H new ATOM 0 HB ILE A 18 7.574 3.089 7.069 1.00 0.00 H new ATOM 0 HG12 ILE A 18 5.007 2.214 5.709 1.00 0.00 H new ATOM 0 HG13 ILE A 18 6.598 1.754 5.137 1.00 0.00 H new ATOM 0 HG21 ILE A 18 5.498 3.154 8.439 1.00 0.00 H new ATOM 0 HG22 ILE A 18 6.065 4.798 8.063 1.00 0.00 H new ATOM 0 HG23 ILE A 18 4.693 4.104 7.168 1.00 0.00 H new ATOM 0 HD11 ILE A 18 5.609 -0.016 6.496 1.00 0.00 H new ATOM 0 HD12 ILE A 18 7.063 0.639 7.287 1.00 0.00 H new ATOM 0 HD13 ILE A 18 5.447 1.107 7.867 1.00 0.00 H new ATOM 320 N GLN A 19 8.743 5.619 6.218 1.00 0.00 N ATOM 321 CA GLN A 19 9.486 6.782 6.701 1.00 0.00 C ATOM 322 C GLN A 19 9.261 7.992 5.776 1.00 0.00 C ATOM 323 O GLN A 19 9.078 9.118 6.246 1.00 0.00 O ATOM 324 CB GLN A 19 10.970 6.441 6.776 1.00 0.00 C ATOM 325 CG GLN A 19 11.287 5.342 7.785 1.00 0.00 C ATOM 326 CD GLN A 19 12.689 4.767 7.653 1.00 0.00 C ATOM 327 OE1 GLN A 19 13.220 4.757 6.460 1.00 0.00 O flip ATOM 328 NE2 GLN A 19 13.282 4.324 8.641 1.00 0.00 N flip ATOM 0 H GLN A 19 9.330 4.812 6.008 1.00 0.00 H new ATOM 0 HA GLN A 19 9.126 7.045 7.696 1.00 0.00 H new ATOM 0 HB2 GLN A 19 11.314 6.129 5.790 1.00 0.00 H new ATOM 0 HB3 GLN A 19 11.529 7.339 7.040 1.00 0.00 H new ATOM 0 HG2 GLN A 19 11.162 5.740 8.792 1.00 0.00 H new ATOM 0 HG3 GLN A 19 10.562 4.536 7.669 1.00 0.00 H new ATOM 0 HE21 GLN A 19 12.835 4.349 9.558 1.00 0.00 H new ATOM 0 HE22 GLN A 19 14.219 3.933 8.541 1.00 0.00 H new ATOM 337 N LEU A 20 9.224 7.734 4.477 1.00 0.00 N ATOM 338 CA LEU A 20 9.016 8.768 3.473 1.00 0.00 C ATOM 339 C LEU A 20 7.583 9.306 3.506 1.00 0.00 C ATOM 340 O LEU A 20 7.375 10.517 3.497 1.00 0.00 O ATOM 341 CB LEU A 20 9.387 8.263 2.075 1.00 0.00 C ATOM 342 CG LEU A 20 10.856 7.865 1.876 1.00 0.00 C ATOM 343 CD1 LEU A 20 11.067 7.315 0.483 1.00 0.00 C ATOM 344 CD2 LEU A 20 11.783 9.052 2.122 1.00 0.00 C ATOM 0 H LEU A 20 9.338 6.798 4.088 1.00 0.00 H new ATOM 0 HA LEU A 20 9.680 9.598 3.716 1.00 0.00 H new ATOM 0 HB2 LEU A 20 8.762 7.401 1.843 1.00 0.00 H new ATOM 0 HB3 LEU A 20 9.139 9.040 1.351 1.00 0.00 H new ATOM 0 HG LEU A 20 11.098 7.089 2.602 1.00 0.00 H new ATOM 0 HD11 LEU A 20 12.113 7.037 0.356 1.00 0.00 H new ATOM 0 HD12 LEU A 20 10.438 6.436 0.340 1.00 0.00 H new ATOM 0 HD13 LEU A 20 10.802 8.075 -0.252 1.00 0.00 H new ATOM 0 HD21 LEU A 20 12.818 8.742 1.974 1.00 0.00 H new ATOM 0 HD22 LEU A 20 11.541 9.853 1.424 1.00 0.00 H new ATOM 0 HD23 LEU A 20 11.654 9.409 3.144 1.00 0.00 H new ATOM 356 N VAL A 21 6.593 8.428 3.533 1.00 0.00 N ATOM 357 CA VAL A 21 5.218 8.895 3.673 1.00 0.00 C ATOM 358 C VAL A 21 4.946 9.511 5.065 1.00 0.00 C ATOM 359 O VAL A 21 4.170 10.442 5.198 1.00 0.00 O ATOM 360 CB VAL A 21 4.164 7.837 3.228 1.00 0.00 C ATOM 361 CG1 VAL A 21 4.448 6.482 3.762 1.00 0.00 C ATOM 362 CG2 VAL A 21 2.732 8.260 3.516 1.00 0.00 C ATOM 0 H VAL A 21 6.706 7.417 3.462 1.00 0.00 H new ATOM 0 HA VAL A 21 5.095 9.715 2.965 1.00 0.00 H new ATOM 0 HB VAL A 21 4.260 7.780 2.144 1.00 0.00 H new ATOM 0 HG11 VAL A 21 3.681 5.788 3.419 1.00 0.00 H new ATOM 0 HG12 VAL A 21 5.424 6.149 3.408 1.00 0.00 H new ATOM 0 HG13 VAL A 21 4.448 6.513 4.852 1.00 0.00 H new ATOM 0 HG21 VAL A 21 2.048 7.480 3.182 1.00 0.00 H new ATOM 0 HG22 VAL A 21 2.608 8.418 4.587 1.00 0.00 H new ATOM 0 HG23 VAL A 21 2.512 9.186 2.985 1.00 0.00 H new ATOM 372 N ALA A 22 5.616 9.015 6.070 1.00 0.00 N ATOM 373 CA ALA A 22 5.505 9.561 7.424 1.00 0.00 C ATOM 374 C ALA A 22 5.968 11.023 7.480 1.00 0.00 C ATOM 375 O ALA A 22 5.207 11.897 7.920 1.00 0.00 O ATOM 376 CB ALA A 22 6.286 8.721 8.418 1.00 0.00 C ATOM 0 H ALA A 22 6.255 8.224 5.989 1.00 0.00 H new ATOM 0 HA ALA A 22 4.451 9.530 7.700 1.00 0.00 H new ATOM 0 HB1 ALA A 22 6.186 9.150 9.415 1.00 0.00 H new ATOM 0 HB2 ALA A 22 5.896 7.703 8.420 1.00 0.00 H new ATOM 0 HB3 ALA A 22 7.338 8.706 8.134 1.00 0.00 H new ATOM 382 N ARG A 23 7.191 11.297 6.960 1.00 0.00 N ATOM 383 CA ARG A 23 7.774 12.665 6.951 1.00 0.00 C ATOM 384 C ARG A 23 6.917 13.642 6.148 1.00 0.00 C ATOM 385 O ARG A 23 7.052 14.863 6.280 1.00 0.00 O ATOM 386 CB ARG A 23 9.235 12.688 6.441 1.00 0.00 C ATOM 387 CG ARG A 23 9.430 12.102 5.054 1.00 0.00 C ATOM 388 CD ARG A 23 10.827 12.349 4.490 1.00 0.00 C ATOM 389 NE ARG A 23 11.025 13.757 4.108 1.00 0.00 N ATOM 390 CZ ARG A 23 11.819 14.197 3.110 1.00 0.00 C ATOM 391 NH1 ARG A 23 12.645 13.367 2.475 1.00 0.00 N ATOM 392 NH2 ARG A 23 11.806 15.475 2.783 1.00 0.00 N ATOM 0 H ARG A 23 7.794 10.589 6.541 1.00 0.00 H new ATOM 0 HA ARG A 23 7.785 12.990 7.991 1.00 0.00 H new ATOM 0 HB2 ARG A 23 9.589 13.719 6.438 1.00 0.00 H new ATOM 0 HB3 ARG A 23 9.860 12.138 7.145 1.00 0.00 H new ATOM 0 HG2 ARG A 23 9.244 11.029 5.090 1.00 0.00 H new ATOM 0 HG3 ARG A 23 8.691 12.531 4.378 1.00 0.00 H new ATOM 0 HD2 ARG A 23 11.573 12.066 5.232 1.00 0.00 H new ATOM 0 HD3 ARG A 23 10.985 11.711 3.620 1.00 0.00 H new ATOM 0 HE ARG A 23 10.518 14.461 4.644 1.00 0.00 H new ATOM 0 HH11 ARG A 23 12.684 12.383 2.741 1.00 0.00 H new ATOM 0 HH12 ARG A 23 13.239 13.715 1.722 1.00 0.00 H new ATOM 0 HH21 ARG A 23 11.198 16.123 3.284 1.00 0.00 H new ATOM 0 HH22 ARG A 23 12.404 15.815 2.030 1.00 0.00 H new ATOM 406 N HIS A 24 6.061 13.095 5.290 1.00 0.00 N ATOM 407 CA HIS A 24 5.116 13.877 4.517 1.00 0.00 C ATOM 408 C HIS A 24 4.203 14.709 5.442 1.00 0.00 C ATOM 409 O HIS A 24 3.806 15.829 5.094 1.00 0.00 O ATOM 410 CB HIS A 24 4.272 12.955 3.604 1.00 0.00 C ATOM 411 CG HIS A 24 3.146 13.653 2.900 1.00 0.00 C ATOM 412 ND1 HIS A 24 3.156 14.433 1.799 1.00 0.00 N flip ATOM 413 CD2 HIS A 24 1.849 13.642 3.341 1.00 0.00 C flip ATOM 414 CE1 HIS A 24 1.882 14.910 1.565 1.00 0.00 C flip ATOM 415 NE2 HIS A 24 1.136 14.402 2.522 1.00 0.00 N flip ATOM 0 H HIS A 24 6.007 12.092 5.114 1.00 0.00 H new ATOM 0 HA HIS A 24 5.678 14.567 3.888 1.00 0.00 H new ATOM 0 HB2 HIS A 24 4.926 12.502 2.859 1.00 0.00 H new ATOM 0 HB3 HIS A 24 3.863 12.143 4.205 1.00 0.00 H new ATOM 0 HD2 HIS A 24 1.474 13.109 4.202 1.00 0.00 H new ATOM 0 HE1 HIS A 24 1.565 15.563 0.765 1.00 0.00 H new ATOM 0 HE2 HIS A 24 0.135 14.572 2.621 1.00 0.00 H new ATOM 423 N GLY A 25 3.897 14.184 6.613 1.00 0.00 N ATOM 424 CA GLY A 25 3.033 14.912 7.505 1.00 0.00 C ATOM 425 C GLY A 25 2.155 14.033 8.348 1.00 0.00 C ATOM 426 O GLY A 25 1.351 14.537 9.123 1.00 0.00 O ATOM 0 H GLY A 25 4.226 13.282 6.957 1.00 0.00 H new ATOM 0 HA2 GLY A 25 3.643 15.535 8.159 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.405 15.584 6.920 1.00 0.00 H new ATOM 430 N LEU A 26 2.268 12.734 8.175 1.00 0.00 N ATOM 431 CA LEU A 26 1.534 11.788 8.963 1.00 0.00 C ATOM 432 C LEU A 26 1.900 11.845 10.430 1.00 0.00 C ATOM 433 O LEU A 26 3.051 12.125 10.799 1.00 0.00 O ATOM 434 CB LEU A 26 1.757 10.380 8.447 1.00 0.00 C ATOM 435 CG LEU A 26 0.906 9.937 7.269 1.00 0.00 C ATOM 436 CD1 LEU A 26 1.170 10.707 5.996 1.00 0.00 C ATOM 437 CD2 LEU A 26 1.009 8.448 7.063 1.00 0.00 C ATOM 0 H LEU A 26 2.878 12.309 7.477 1.00 0.00 H new ATOM 0 HA LEU A 26 0.482 12.058 8.870 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.805 10.285 8.163 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.585 9.686 9.270 1.00 0.00 H new ATOM 0 HG LEU A 26 -0.125 10.177 7.531 1.00 0.00 H new ATOM 0 HD11 LEU A 26 0.524 10.331 5.203 1.00 0.00 H new ATOM 0 HD12 LEU A 26 0.964 11.765 6.161 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.213 10.581 5.704 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.391 8.155 6.214 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.047 8.179 6.867 1.00 0.00 H new ATOM 0 HD23 LEU A 26 0.664 7.932 7.959 1.00 0.00 H new ATOM 449 N ASP A 27 0.921 11.586 11.250 1.00 0.00 N ATOM 450 CA ASP A 27 1.096 11.542 12.695 1.00 0.00 C ATOM 451 C ASP A 27 1.561 10.147 13.044 1.00 0.00 C ATOM 452 O ASP A 27 1.571 9.272 12.176 1.00 0.00 O ATOM 453 CB ASP A 27 -0.228 11.757 13.432 1.00 0.00 C ATOM 454 CG ASP A 27 -1.036 12.945 12.994 1.00 0.00 C ATOM 455 OD1 ASP A 27 -0.859 14.045 13.554 1.00 0.00 O ATOM 456 OD2 ASP A 27 -1.891 12.798 12.096 1.00 0.00 O ATOM 0 H ASP A 27 -0.033 11.396 10.943 1.00 0.00 H new ATOM 0 HA ASP A 27 1.799 12.323 12.985 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -0.838 10.862 13.311 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -0.017 11.858 14.497 1.00 0.00 H new ATOM 461 N HIS A 28 1.868 9.900 14.305 1.00 0.00 N ATOM 462 CA HIS A 28 2.309 8.570 14.714 1.00 0.00 C ATOM 463 C HIS A 28 1.201 7.548 14.551 1.00 0.00 C ATOM 464 O HIS A 28 1.450 6.435 14.103 1.00 0.00 O ATOM 465 CB HIS A 28 2.882 8.538 16.140 1.00 0.00 C ATOM 466 CG HIS A 28 4.229 9.186 16.271 1.00 0.00 C ATOM 467 ND1 HIS A 28 5.421 8.486 16.274 1.00 0.00 N ATOM 468 CD2 HIS A 28 4.566 10.492 16.410 1.00 0.00 C ATOM 469 CE1 HIS A 28 6.414 9.359 16.413 1.00 0.00 C ATOM 470 NE2 HIS A 28 5.952 10.598 16.499 1.00 0.00 N ATOM 0 H HIS A 28 1.823 10.588 15.056 1.00 0.00 H new ATOM 0 HA HIS A 28 3.127 8.302 14.045 1.00 0.00 H new ATOM 0 HB2 HIS A 28 2.184 9.036 16.812 1.00 0.00 H new ATOM 0 HB3 HIS A 28 2.956 7.501 16.468 1.00 0.00 H new ATOM 0 HD2 HIS A 28 3.871 11.318 16.446 1.00 0.00 H new ATOM 0 HE1 HIS A 28 7.460 9.093 16.451 1.00 0.00 H new ATOM 0 HE2 HIS A 28 6.498 11.452 16.608 1.00 0.00 H new ATOM 478 N ASP A 29 -0.035 7.951 14.858 1.00 0.00 N ATOM 479 CA ASP A 29 -1.189 7.057 14.714 1.00 0.00 C ATOM 480 C ASP A 29 -1.357 6.682 13.253 1.00 0.00 C ATOM 481 O ASP A 29 -1.604 5.535 12.928 1.00 0.00 O ATOM 482 CB ASP A 29 -2.502 7.693 15.253 1.00 0.00 C ATOM 483 CG ASP A 29 -3.096 8.783 14.362 1.00 0.00 C ATOM 484 OD1 ASP A 29 -2.467 9.825 14.187 1.00 0.00 O ATOM 485 OD2 ASP A 29 -4.220 8.614 13.832 1.00 0.00 O ATOM 0 H ASP A 29 -0.262 8.883 15.205 1.00 0.00 H new ATOM 0 HA ASP A 29 -0.995 6.167 15.312 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -3.244 6.905 15.384 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -2.307 8.115 16.239 1.00 0.00 H new ATOM 490 N LYS A 30 -1.135 7.657 12.385 1.00 0.00 N ATOM 491 CA LYS A 30 -1.256 7.476 10.953 1.00 0.00 C ATOM 492 C LYS A 30 -0.242 6.478 10.466 1.00 0.00 C ATOM 493 O LYS A 30 -0.569 5.585 9.693 1.00 0.00 O ATOM 494 CB LYS A 30 -1.036 8.789 10.227 1.00 0.00 C ATOM 495 CG LYS A 30 -1.970 9.893 10.633 1.00 0.00 C ATOM 496 CD LYS A 30 -3.410 9.569 10.356 1.00 0.00 C ATOM 497 CE LYS A 30 -4.304 10.706 10.829 1.00 0.00 C ATOM 498 NZ LYS A 30 -4.036 11.071 12.245 1.00 0.00 N ATOM 0 H LYS A 30 -0.864 8.601 12.660 1.00 0.00 H new ATOM 0 HA LYS A 30 -2.262 7.111 10.746 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -0.011 9.117 10.399 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -1.140 8.618 9.156 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -1.846 10.095 11.697 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -1.699 10.806 10.102 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -3.554 9.403 9.288 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -3.686 8.644 10.863 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -4.149 11.578 10.194 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -5.349 10.415 10.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -4.762 11.739 12.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -4.060 10.215 12.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -3.099 11.516 12.317 1.00 0.00 H new ATOM 512 N VAL A 31 0.980 6.612 10.956 1.00 0.00 N ATOM 513 CA VAL A 31 2.064 5.742 10.568 1.00 0.00 C ATOM 514 C VAL A 31 1.766 4.313 11.008 1.00 0.00 C ATOM 515 O VAL A 31 1.959 3.375 10.244 1.00 0.00 O ATOM 516 CB VAL A 31 3.430 6.238 11.134 1.00 0.00 C ATOM 517 CG1 VAL A 31 4.564 5.299 10.769 1.00 0.00 C ATOM 518 CG2 VAL A 31 3.724 7.634 10.619 1.00 0.00 C ATOM 0 H VAL A 31 1.242 7.328 11.633 1.00 0.00 H new ATOM 0 HA VAL A 31 2.148 5.761 9.481 1.00 0.00 H new ATOM 0 HB VAL A 31 3.354 6.257 12.221 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.498 5.679 11.182 1.00 0.00 H new ATOM 0 HG12 VAL A 31 4.363 4.309 11.179 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.647 5.233 9.684 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.679 7.975 11.018 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.770 7.618 9.530 1.00 0.00 H new ATOM 0 HG23 VAL A 31 2.934 8.314 10.939 1.00 0.00 H new ATOM 528 N LEU A 32 1.237 4.165 12.212 1.00 0.00 N ATOM 529 CA LEU A 32 0.854 2.863 12.750 1.00 0.00 C ATOM 530 C LEU A 32 -0.220 2.222 11.902 1.00 0.00 C ATOM 531 O LEU A 32 -0.062 1.093 11.459 1.00 0.00 O ATOM 532 CB LEU A 32 0.368 2.998 14.189 1.00 0.00 C ATOM 533 CG LEU A 32 1.374 3.575 15.181 1.00 0.00 C ATOM 534 CD1 LEU A 32 0.767 3.653 16.557 1.00 0.00 C ATOM 535 CD2 LEU A 32 2.662 2.764 15.204 1.00 0.00 C ATOM 0 H LEU A 32 1.060 4.943 12.847 1.00 0.00 H new ATOM 0 HA LEU A 32 1.736 2.223 12.734 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.521 3.629 14.194 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.062 2.013 14.543 1.00 0.00 H new ATOM 0 HG LEU A 32 1.628 4.583 14.854 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.496 4.066 17.254 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.114 4.295 16.530 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.478 2.654 16.884 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.356 3.203 15.921 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.440 1.737 15.495 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.114 2.770 14.212 1.00 0.00 H new ATOM 547 N LEU A 33 -1.273 2.964 11.632 1.00 0.00 N ATOM 548 CA LEU A 33 -2.405 2.457 10.863 1.00 0.00 C ATOM 549 C LEU A 33 -1.990 2.099 9.452 1.00 0.00 C ATOM 550 O LEU A 33 -2.391 1.053 8.923 1.00 0.00 O ATOM 551 CB LEU A 33 -3.511 3.488 10.806 1.00 0.00 C ATOM 552 CG LEU A 33 -4.016 4.013 12.145 1.00 0.00 C ATOM 553 CD1 LEU A 33 -5.032 5.115 11.940 1.00 0.00 C ATOM 554 CD2 LEU A 33 -4.585 2.895 13.000 1.00 0.00 C ATOM 0 H LEU A 33 -1.375 3.933 11.935 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.766 1.559 11.365 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.159 4.335 10.217 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.355 3.055 10.268 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.165 4.432 12.681 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.379 5.475 12.909 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.572 5.937 11.391 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.878 4.729 11.372 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.936 3.304 13.947 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.418 2.425 12.477 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.810 2.152 13.190 1.00 0.00 H new ATOM 566 N PHE A 34 -1.197 2.961 8.856 1.00 0.00 N ATOM 567 CA PHE A 34 -0.699 2.757 7.522 1.00 0.00 C ATOM 568 C PHE A 34 0.180 1.524 7.460 1.00 0.00 C ATOM 569 O PHE A 34 -0.091 0.617 6.686 1.00 0.00 O ATOM 570 CB PHE A 34 0.059 4.003 7.035 1.00 0.00 C ATOM 571 CG PHE A 34 0.734 3.848 5.700 1.00 0.00 C ATOM 572 CD1 PHE A 34 0.002 3.893 4.530 1.00 0.00 C ATOM 573 CD2 PHE A 34 2.104 3.641 5.622 1.00 0.00 C ATOM 574 CE1 PHE A 34 0.623 3.744 3.309 1.00 0.00 C ATOM 575 CE2 PHE A 34 2.722 3.491 4.402 1.00 0.00 C ATOM 576 CZ PHE A 34 1.983 3.538 3.251 1.00 0.00 C ATOM 0 H PHE A 34 -0.880 3.828 9.290 1.00 0.00 H new ATOM 0 HA PHE A 34 -1.547 2.595 6.857 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -0.640 4.837 6.978 1.00 0.00 H new ATOM 0 HB3 PHE A 34 0.811 4.267 7.778 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -1.066 4.046 4.572 1.00 0.00 H new ATOM 0 HD2 PHE A 34 2.691 3.597 6.528 1.00 0.00 H new ATOM 0 HE1 PHE A 34 0.044 3.789 2.399 1.00 0.00 H new ATOM 0 HE2 PHE A 34 3.790 3.336 4.353 1.00 0.00 H new ATOM 0 HZ PHE A 34 2.468 3.413 2.294 1.00 0.00 H new ATOM 586 N SER A 35 1.193 1.471 8.314 1.00 0.00 N ATOM 587 CA SER A 35 2.154 0.387 8.294 1.00 0.00 C ATOM 588 C SER A 35 1.509 -0.971 8.539 1.00 0.00 C ATOM 589 O SER A 35 1.824 -1.930 7.848 1.00 0.00 O ATOM 590 CB SER A 35 3.298 0.654 9.276 1.00 0.00 C ATOM 591 OG SER A 35 2.807 0.909 10.576 1.00 0.00 O ATOM 0 H SER A 35 1.367 2.174 9.033 1.00 0.00 H new ATOM 0 HA SER A 35 2.573 0.349 7.288 1.00 0.00 H new ATOM 0 HB2 SER A 35 3.968 -0.205 9.300 1.00 0.00 H new ATOM 0 HB3 SER A 35 3.884 1.506 8.932 1.00 0.00 H new ATOM 0 HG SER A 35 2.730 1.876 10.713 1.00 0.00 H new ATOM 597 N ARG A 36 0.570 -1.043 9.477 1.00 0.00 N ATOM 598 CA ARG A 36 -0.074 -2.307 9.787 1.00 0.00 C ATOM 599 C ARG A 36 -0.981 -2.784 8.653 1.00 0.00 C ATOM 600 O ARG A 36 -1.046 -3.993 8.368 1.00 0.00 O ATOM 601 CB ARG A 36 -0.825 -2.255 11.121 1.00 0.00 C ATOM 602 CG ARG A 36 -1.947 -1.234 11.190 1.00 0.00 C ATOM 603 CD ARG A 36 -2.549 -1.198 12.569 1.00 0.00 C ATOM 604 NE ARG A 36 -3.186 -2.482 12.890 1.00 0.00 N ATOM 605 CZ ARG A 36 -3.181 -3.099 14.075 1.00 0.00 C ATOM 606 NH1 ARG A 36 -2.533 -2.584 15.113 1.00 0.00 N ATOM 607 NH2 ARG A 36 -3.842 -4.237 14.210 1.00 0.00 N ATOM 0 H ARG A 36 0.243 -0.249 10.028 1.00 0.00 H new ATOM 0 HA ARG A 36 0.722 -3.044 9.892 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -1.240 -3.242 11.325 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -0.110 -2.040 11.915 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -1.564 -0.247 10.929 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -2.716 -1.481 10.458 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -1.775 -0.976 13.304 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -3.285 -0.396 12.629 1.00 0.00 H new ATOM 0 HE ARG A 36 -3.682 -2.950 12.132 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -2.028 -1.703 15.013 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -2.540 -3.069 16.010 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -4.346 -4.631 13.416 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -3.848 -4.720 15.108 1.00 0.00 H new ATOM 621 N ASP A 37 -1.659 -1.851 7.984 1.00 0.00 N ATOM 622 CA ASP A 37 -2.545 -2.229 6.885 1.00 0.00 C ATOM 623 C ASP A 37 -1.722 -2.580 5.654 1.00 0.00 C ATOM 624 O ASP A 37 -2.025 -3.535 4.931 1.00 0.00 O ATOM 625 CB ASP A 37 -3.552 -1.124 6.576 1.00 0.00 C ATOM 626 CG ASP A 37 -4.707 -1.630 5.739 1.00 0.00 C ATOM 627 OD1 ASP A 37 -5.387 -2.597 6.170 1.00 0.00 O ATOM 628 OD2 ASP A 37 -5.014 -1.054 4.693 1.00 0.00 O ATOM 0 H ASP A 37 -1.614 -0.851 8.178 1.00 0.00 H new ATOM 0 HA ASP A 37 -3.115 -3.108 7.188 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -3.934 -0.710 7.509 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -3.050 -0.313 6.049 1.00 0.00 H new ATOM 633 N LEU A 38 -0.659 -1.819 5.460 1.00 0.00 N ATOM 634 CA LEU A 38 0.327 -2.030 4.398 1.00 0.00 C ATOM 635 C LEU A 38 0.972 -3.402 4.538 1.00 0.00 C ATOM 636 O LEU A 38 1.106 -4.150 3.567 1.00 0.00 O ATOM 637 CB LEU A 38 1.396 -0.925 4.509 1.00 0.00 C ATOM 638 CG LEU A 38 2.697 -1.092 3.725 1.00 0.00 C ATOM 639 CD1 LEU A 38 2.450 -1.181 2.247 1.00 0.00 C ATOM 640 CD2 LEU A 38 3.632 0.054 4.025 1.00 0.00 C ATOM 0 H LEU A 38 -0.446 -1.014 6.049 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.159 -1.986 3.424 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.938 0.013 4.196 1.00 0.00 H new ATOM 0 HB3 LEU A 38 1.654 -0.818 5.562 1.00 0.00 H new ATOM 0 HG LEU A 38 3.156 -2.029 4.041 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.400 -1.299 1.726 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.811 -2.039 2.036 1.00 0.00 H new ATOM 0 HD13 LEU A 38 1.959 -0.270 1.905 1.00 0.00 H new ATOM 0 HD21 LEU A 38 4.556 -0.074 3.462 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.159 0.994 3.739 1.00 0.00 H new ATOM 0 HD23 LEU A 38 3.856 0.071 5.092 1.00 0.00 H new ATOM 652 N ASP A 39 1.345 -3.715 5.756 1.00 0.00 N ATOM 653 CA ASP A 39 1.995 -4.969 6.108 1.00 0.00 C ATOM 654 C ASP A 39 1.138 -6.162 5.706 1.00 0.00 C ATOM 655 O ASP A 39 1.630 -7.120 5.101 1.00 0.00 O ATOM 656 CB ASP A 39 2.255 -4.982 7.606 1.00 0.00 C ATOM 657 CG ASP A 39 3.008 -6.176 8.073 1.00 0.00 C ATOM 658 OD1 ASP A 39 4.244 -6.197 7.911 1.00 0.00 O ATOM 659 OD2 ASP A 39 2.392 -7.087 8.644 1.00 0.00 O ATOM 0 H ASP A 39 1.205 -3.095 6.553 1.00 0.00 H new ATOM 0 HA ASP A 39 2.939 -5.047 5.568 1.00 0.00 H new ATOM 0 HB2 ASP A 39 2.811 -4.084 7.877 1.00 0.00 H new ATOM 0 HB3 ASP A 39 1.301 -4.937 8.132 1.00 0.00 H new ATOM 664 N LYS A 40 -0.160 -6.064 5.987 1.00 0.00 N ATOM 665 CA LYS A 40 -1.099 -7.124 5.639 1.00 0.00 C ATOM 666 C LYS A 40 -1.222 -7.271 4.132 1.00 0.00 C ATOM 667 O LYS A 40 -1.239 -8.380 3.620 1.00 0.00 O ATOM 668 CB LYS A 40 -2.496 -6.872 6.228 1.00 0.00 C ATOM 669 CG LYS A 40 -2.573 -6.909 7.743 1.00 0.00 C ATOM 670 CD LYS A 40 -4.016 -6.764 8.292 1.00 0.00 C ATOM 671 CE LYS A 40 -4.663 -5.389 8.020 1.00 0.00 C ATOM 672 NZ LYS A 40 -5.170 -5.211 6.625 1.00 0.00 N ATOM 0 H LYS A 40 -0.583 -5.262 6.454 1.00 0.00 H new ATOM 0 HA LYS A 40 -0.699 -8.043 6.067 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.847 -5.899 5.886 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -3.182 -7.618 5.827 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -2.150 -7.849 8.098 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -1.956 -6.108 8.150 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -4.640 -7.540 7.850 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -4.003 -6.940 9.368 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -5.490 -5.246 8.715 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -3.932 -4.609 8.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -4.855 -4.291 6.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -4.799 -5.972 6.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -6.209 -5.246 6.626 1.00 0.00 H new ATOM 686 N LEU A 41 -1.291 -6.141 3.441 1.00 0.00 N ATOM 687 CA LEU A 41 -1.457 -6.111 1.989 1.00 0.00 C ATOM 688 C LEU A 41 -0.308 -6.834 1.289 1.00 0.00 C ATOM 689 O LEU A 41 -0.527 -7.627 0.360 1.00 0.00 O ATOM 690 CB LEU A 41 -1.591 -4.649 1.508 1.00 0.00 C ATOM 691 CG LEU A 41 -1.711 -4.404 -0.006 1.00 0.00 C ATOM 692 CD1 LEU A 41 -2.834 -5.228 -0.602 1.00 0.00 C ATOM 693 CD2 LEU A 41 -1.968 -2.935 -0.270 1.00 0.00 C ATOM 0 H LEU A 41 -1.234 -5.217 3.869 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.372 -6.642 1.726 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -2.469 -4.217 1.989 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.724 -4.096 1.870 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.774 -4.704 -0.475 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -2.897 -5.036 -1.673 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.637 -6.287 -0.434 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -3.777 -4.955 -0.128 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -2.052 -2.768 -1.344 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.895 -2.634 0.218 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -1.142 -2.344 0.126 1.00 0.00 H new ATOM 705 N ILE A 42 0.890 -6.607 1.773 1.00 0.00 N ATOM 706 CA ILE A 42 2.064 -7.225 1.200 1.00 0.00 C ATOM 707 C ILE A 42 2.059 -8.728 1.443 1.00 0.00 C ATOM 708 O ILE A 42 2.044 -9.505 0.487 1.00 0.00 O ATOM 709 CB ILE A 42 3.369 -6.578 1.733 1.00 0.00 C ATOM 710 CG1 ILE A 42 3.387 -5.100 1.340 1.00 0.00 C ATOM 711 CG2 ILE A 42 4.602 -7.301 1.183 1.00 0.00 C ATOM 712 CD1 ILE A 42 4.612 -4.345 1.771 1.00 0.00 C ATOM 0 H ILE A 42 1.079 -5.995 2.567 1.00 0.00 H new ATOM 0 HA ILE A 42 2.033 -7.055 0.124 1.00 0.00 H new ATOM 0 HB ILE A 42 3.397 -6.665 2.819 1.00 0.00 H new ATOM 0 HG12 ILE A 42 3.295 -5.026 0.256 1.00 0.00 H new ATOM 0 HG13 ILE A 42 2.510 -4.615 1.768 1.00 0.00 H new ATOM 0 HG21 ILE A 42 5.504 -6.828 1.571 1.00 0.00 H new ATOM 0 HG22 ILE A 42 4.578 -8.346 1.491 1.00 0.00 H new ATOM 0 HG23 ILE A 42 4.602 -7.243 0.095 1.00 0.00 H new ATOM 0 HD11 ILE A 42 4.533 -3.307 1.447 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.698 -4.381 2.857 1.00 0.00 H new ATOM 0 HD13 ILE A 42 5.496 -4.798 1.322 1.00 0.00 H new ATOM 724 N ASN A 43 1.989 -9.124 2.706 1.00 0.00 N ATOM 725 CA ASN A 43 1.987 -10.549 3.108 1.00 0.00 C ATOM 726 C ASN A 43 0.845 -11.327 2.449 1.00 0.00 C ATOM 727 O ASN A 43 0.967 -12.541 2.190 1.00 0.00 O ATOM 728 CB ASN A 43 1.909 -10.698 4.640 1.00 0.00 C ATOM 729 CG ASN A 43 3.176 -10.253 5.373 1.00 0.00 C ATOM 730 OD1 ASN A 43 4.309 -10.392 4.869 1.00 0.00 O ATOM 731 ND2 ASN A 43 3.005 -9.715 6.552 1.00 0.00 N ATOM 0 H ASN A 43 1.931 -8.476 3.492 1.00 0.00 H new ATOM 0 HA ASN A 43 2.930 -10.973 2.762 1.00 0.00 H new ATOM 0 HB2 ASN A 43 1.065 -10.116 5.009 1.00 0.00 H new ATOM 0 HB3 ASN A 43 1.708 -11.741 4.884 1.00 0.00 H new ATOM 0 HD21 ASN A 43 3.811 -9.394 7.088 1.00 0.00 H new ATOM 0 HD22 ASN A 43 2.065 -9.616 6.936 1.00 0.00 H new ATOM 738 N LYS A 44 -0.249 -10.629 2.168 1.00 0.00 N ATOM 739 CA LYS A 44 -1.400 -11.205 1.494 1.00 0.00 C ATOM 740 C LYS A 44 -1.018 -11.635 0.078 1.00 0.00 C ATOM 741 O LYS A 44 -1.245 -12.786 -0.313 1.00 0.00 O ATOM 742 CB LYS A 44 -2.530 -10.172 1.423 1.00 0.00 C ATOM 743 CG LYS A 44 -3.832 -10.683 0.818 1.00 0.00 C ATOM 744 CD LYS A 44 -4.866 -9.573 0.695 1.00 0.00 C ATOM 745 CE LYS A 44 -5.282 -9.012 2.052 1.00 0.00 C ATOM 746 NZ LYS A 44 -5.908 -10.030 2.928 1.00 0.00 N ATOM 0 H LYS A 44 -0.360 -9.643 2.404 1.00 0.00 H new ATOM 0 HA LYS A 44 -1.737 -12.076 2.056 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -2.733 -9.808 2.430 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -2.186 -9.319 0.839 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.635 -11.108 -0.166 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.231 -11.486 1.438 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -4.460 -8.769 0.081 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -5.746 -9.956 0.178 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -4.407 -8.598 2.552 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -5.982 -8.190 1.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -6.292 -9.568 3.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -6.678 -10.504 2.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -5.195 -10.733 3.208 1.00 0.00 H new ATOM 760 N PHE A 45 -0.389 -10.727 -0.657 1.00 0.00 N ATOM 761 CA PHE A 45 0.015 -10.985 -2.030 1.00 0.00 C ATOM 762 C PHE A 45 1.186 -11.929 -2.120 1.00 0.00 C ATOM 763 O PHE A 45 1.282 -12.704 -3.070 1.00 0.00 O ATOM 764 CB PHE A 45 0.295 -9.697 -2.797 1.00 0.00 C ATOM 765 CG PHE A 45 -0.933 -9.071 -3.386 1.00 0.00 C ATOM 766 CD1 PHE A 45 -1.813 -8.338 -2.608 1.00 0.00 C ATOM 767 CD2 PHE A 45 -1.206 -9.227 -4.735 1.00 0.00 C ATOM 768 CE1 PHE A 45 -2.942 -7.774 -3.168 1.00 0.00 C ATOM 769 CE2 PHE A 45 -2.333 -8.664 -5.298 1.00 0.00 C ATOM 770 CZ PHE A 45 -3.202 -7.938 -4.513 1.00 0.00 C ATOM 0 H PHE A 45 -0.146 -9.796 -0.319 1.00 0.00 H new ATOM 0 HA PHE A 45 -0.834 -11.477 -2.504 1.00 0.00 H new ATOM 0 HB2 PHE A 45 0.772 -8.981 -2.127 1.00 0.00 H new ATOM 0 HB3 PHE A 45 1.005 -9.907 -3.597 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -1.615 -8.206 -1.555 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -0.528 -9.796 -5.354 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -3.622 -7.204 -2.553 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -2.533 -8.792 -6.351 1.00 0.00 H new ATOM 0 HZ PHE A 45 -4.086 -7.498 -4.950 1.00 0.00 H new ATOM 780 N MET A 46 2.067 -11.871 -1.136 1.00 0.00 N ATOM 781 CA MET A 46 3.215 -12.780 -1.059 1.00 0.00 C ATOM 782 C MET A 46 2.723 -14.220 -0.973 1.00 0.00 C ATOM 783 O MET A 46 3.343 -15.138 -1.519 1.00 0.00 O ATOM 784 CB MET A 46 4.038 -12.484 0.196 1.00 0.00 C ATOM 785 CG MET A 46 4.562 -11.065 0.299 1.00 0.00 C ATOM 786 SD MET A 46 5.714 -10.847 1.657 1.00 0.00 S ATOM 787 CE MET A 46 6.998 -11.950 1.117 1.00 0.00 C ATOM 0 H MET A 46 2.014 -11.200 -0.369 1.00 0.00 H new ATOM 0 HA MET A 46 3.828 -12.638 -1.949 1.00 0.00 H new ATOM 0 HB2 MET A 46 3.424 -12.693 1.072 1.00 0.00 H new ATOM 0 HB3 MET A 46 4.884 -13.171 0.228 1.00 0.00 H new ATOM 0 HG2 MET A 46 5.054 -10.795 -0.636 1.00 0.00 H new ATOM 0 HG3 MET A 46 3.723 -10.381 0.427 1.00 0.00 H new ATOM 0 HE1 MET A 46 7.970 -11.537 1.387 1.00 0.00 H new ATOM 0 HE2 MET A 46 6.870 -12.920 1.597 1.00 0.00 H new ATOM 0 HE3 MET A 46 6.943 -12.071 0.035 1.00 0.00 H new ATOM 1151 N LEU B 6 9.079 14.822 -2.855 1.00 0.00 N ATOM 1152 CA LEU B 6 8.795 13.922 -1.768 1.00 0.00 C ATOM 1153 C LEU B 6 7.905 12.768 -2.255 1.00 0.00 C ATOM 1154 O LEU B 6 8.182 11.595 -1.989 1.00 0.00 O ATOM 1155 CB LEU B 6 8.170 14.750 -0.600 1.00 0.00 C ATOM 1156 CG LEU B 6 7.743 14.036 0.701 1.00 0.00 C ATOM 1157 CD1 LEU B 6 6.446 13.281 0.525 1.00 0.00 C ATOM 1158 CD2 LEU B 6 8.839 13.107 1.201 1.00 0.00 C ATOM 0 HA LEU B 6 9.704 13.452 -1.391 1.00 0.00 H new ATOM 0 HB2 LEU B 6 8.889 15.522 -0.327 1.00 0.00 H new ATOM 0 HB3 LEU B 6 7.291 15.259 -0.996 1.00 0.00 H new ATOM 0 HG LEU B 6 7.578 14.808 1.452 1.00 0.00 H new ATOM 0 HD11 LEU B 6 6.179 12.792 1.462 1.00 0.00 H new ATOM 0 HD12 LEU B 6 5.656 13.976 0.241 1.00 0.00 H new ATOM 0 HD13 LEU B 6 6.566 12.529 -0.255 1.00 0.00 H new ATOM 0 HD21 LEU B 6 8.511 12.618 2.118 1.00 0.00 H new ATOM 0 HD22 LEU B 6 9.051 12.353 0.443 1.00 0.00 H new ATOM 0 HD23 LEU B 6 9.742 13.684 1.401 1.00 0.00 H new ATOM 1170 N LYS B 7 6.881 13.111 -3.007 1.00 0.00 N ATOM 1171 CA LYS B 7 5.925 12.148 -3.535 1.00 0.00 C ATOM 1172 C LYS B 7 6.635 11.214 -4.513 1.00 0.00 C ATOM 1173 O LYS B 7 6.322 10.027 -4.598 1.00 0.00 O ATOM 1174 CB LYS B 7 4.780 12.909 -4.219 1.00 0.00 C ATOM 1175 CG LYS B 7 3.370 12.398 -3.909 1.00 0.00 C ATOM 1176 CD LYS B 7 2.995 11.096 -4.616 1.00 0.00 C ATOM 1177 CE LYS B 7 2.946 11.271 -6.127 1.00 0.00 C ATOM 1178 NZ LYS B 7 2.276 10.138 -6.791 1.00 0.00 N ATOM 0 H LYS B 7 6.683 14.075 -3.274 1.00 0.00 H new ATOM 0 HA LYS B 7 5.507 11.542 -2.731 1.00 0.00 H new ATOM 0 HB2 LYS B 7 4.839 13.958 -3.928 1.00 0.00 H new ATOM 0 HB3 LYS B 7 4.933 12.868 -5.297 1.00 0.00 H new ATOM 0 HG2 LYS B 7 3.280 12.251 -2.833 1.00 0.00 H new ATOM 0 HG3 LYS B 7 2.650 13.167 -4.187 1.00 0.00 H new ATOM 0 HD2 LYS B 7 3.720 10.322 -4.362 1.00 0.00 H new ATOM 0 HD3 LYS B 7 2.024 10.753 -4.257 1.00 0.00 H new ATOM 0 HE2 LYS B 7 2.421 12.195 -6.368 1.00 0.00 H new ATOM 0 HE3 LYS B 7 3.960 11.370 -6.514 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 2.675 10.008 -7.743 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 2.423 9.273 -6.233 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 1.257 10.333 -6.866 1.00 0.00 H new ATOM 1192 N ASN B 8 7.610 11.760 -5.225 1.00 0.00 N ATOM 1193 CA ASN B 8 8.428 10.992 -6.154 1.00 0.00 C ATOM 1194 C ASN B 8 9.248 9.944 -5.406 1.00 0.00 C ATOM 1195 O ASN B 8 9.337 8.812 -5.842 1.00 0.00 O ATOM 1196 CB ASN B 8 9.351 11.914 -6.964 1.00 0.00 C ATOM 1197 CG ASN B 8 10.213 11.172 -7.982 1.00 0.00 C ATOM 1198 OD1 ASN B 8 9.819 10.137 -8.534 1.00 0.00 O ATOM 1199 ND2 ASN B 8 11.383 11.692 -8.244 1.00 0.00 N ATOM 0 H ASN B 8 7.857 12.748 -5.175 1.00 0.00 H new ATOM 0 HA ASN B 8 7.761 10.482 -6.849 1.00 0.00 H new ATOM 0 HB2 ASN B 8 8.745 12.655 -7.485 1.00 0.00 H new ATOM 0 HB3 ASN B 8 10.000 12.458 -6.278 1.00 0.00 H new ATOM 0 HD21 ASN B 8 12.001 11.243 -8.921 1.00 0.00 H new ATOM 0 HD22 ASN B 8 11.679 12.546 -7.772 1.00 0.00 H new ATOM 1206 N LYS B 9 9.819 10.325 -4.253 1.00 0.00 N ATOM 1207 CA LYS B 9 10.620 9.382 -3.435 1.00 0.00 C ATOM 1208 C LYS B 9 9.717 8.256 -2.925 1.00 0.00 C ATOM 1209 O LYS B 9 10.122 7.100 -2.852 1.00 0.00 O ATOM 1210 CB LYS B 9 11.252 10.077 -2.210 1.00 0.00 C ATOM 1211 CG LYS B 9 12.052 11.335 -2.495 1.00 0.00 C ATOM 1212 CD LYS B 9 13.210 11.100 -3.449 1.00 0.00 C ATOM 1213 CE LYS B 9 13.936 12.406 -3.710 1.00 0.00 C ATOM 1214 NZ LYS B 9 15.036 12.265 -4.681 1.00 0.00 N ATOM 0 H LYS B 9 9.747 11.265 -3.864 1.00 0.00 H new ATOM 0 HA LYS B 9 11.416 8.995 -4.071 1.00 0.00 H new ATOM 0 HB2 LYS B 9 10.456 10.328 -1.509 1.00 0.00 H new ATOM 0 HB3 LYS B 9 11.904 9.362 -1.708 1.00 0.00 H new ATOM 0 HG2 LYS B 9 11.390 12.092 -2.916 1.00 0.00 H new ATOM 0 HG3 LYS B 9 12.437 11.734 -1.557 1.00 0.00 H new ATOM 0 HD2 LYS B 9 13.899 10.369 -3.026 1.00 0.00 H new ATOM 0 HD3 LYS B 9 12.841 10.685 -4.387 1.00 0.00 H new ATOM 0 HE2 LYS B 9 13.224 13.144 -4.079 1.00 0.00 H new ATOM 0 HE3 LYS B 9 14.334 12.789 -2.770 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 15.496 13.187 -4.821 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 15.732 11.582 -4.320 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 14.657 11.926 -5.588 1.00 0.00 H new ATOM 1228 N ILE B 10 8.502 8.625 -2.564 1.00 0.00 N ATOM 1229 CA ILE B 10 7.490 7.683 -2.118 1.00 0.00 C ATOM 1230 C ILE B 10 7.155 6.700 -3.227 1.00 0.00 C ATOM 1231 O ILE B 10 7.124 5.489 -2.995 1.00 0.00 O ATOM 1232 CB ILE B 10 6.242 8.444 -1.633 1.00 0.00 C ATOM 1233 CG1 ILE B 10 6.602 9.145 -0.326 1.00 0.00 C ATOM 1234 CG2 ILE B 10 5.026 7.527 -1.470 1.00 0.00 C ATOM 1235 CD1 ILE B 10 5.497 9.939 0.275 1.00 0.00 C ATOM 0 H ILE B 10 8.186 9.595 -2.572 1.00 0.00 H new ATOM 0 HA ILE B 10 7.879 7.107 -1.278 1.00 0.00 H new ATOM 0 HB ILE B 10 5.950 9.178 -2.384 1.00 0.00 H new ATOM 0 HG12 ILE B 10 6.927 8.396 0.395 1.00 0.00 H new ATOM 0 HG13 ILE B 10 7.451 9.805 -0.505 1.00 0.00 H new ATOM 0 HG21 ILE B 10 4.173 8.112 -1.126 1.00 0.00 H new ATOM 0 HG22 ILE B 10 4.787 7.065 -2.428 1.00 0.00 H new ATOM 0 HG23 ILE B 10 5.251 6.750 -0.739 1.00 0.00 H new ATOM 0 HD11 ILE B 10 5.842 10.401 1.200 1.00 0.00 H new ATOM 0 HD12 ILE B 10 5.185 10.715 -0.424 1.00 0.00 H new ATOM 0 HD13 ILE B 10 4.653 9.283 0.490 1.00 0.00 H new ATOM 1247 N GLU B 11 6.941 7.220 -4.440 1.00 0.00 N ATOM 1248 CA GLU B 11 6.723 6.369 -5.607 1.00 0.00 C ATOM 1249 C GLU B 11 7.915 5.465 -5.797 1.00 0.00 C ATOM 1250 O GLU B 11 7.772 4.258 -5.917 1.00 0.00 O ATOM 1251 CB GLU B 11 6.519 7.190 -6.887 1.00 0.00 C ATOM 1252 CG GLU B 11 5.256 8.023 -6.932 1.00 0.00 C ATOM 1253 CD GLU B 11 4.001 7.197 -6.816 1.00 0.00 C ATOM 1254 OE1 GLU B 11 3.931 6.083 -7.400 1.00 0.00 O ATOM 1255 OE2 GLU B 11 3.058 7.634 -6.118 1.00 0.00 O ATOM 0 H GLU B 11 6.915 8.221 -4.636 1.00 0.00 H new ATOM 0 HA GLU B 11 5.819 5.788 -5.426 1.00 0.00 H new ATOM 0 HB2 GLU B 11 7.375 7.853 -7.013 1.00 0.00 H new ATOM 0 HB3 GLU B 11 6.515 6.509 -7.738 1.00 0.00 H new ATOM 0 HG2 GLU B 11 5.280 8.753 -6.123 1.00 0.00 H new ATOM 0 HG3 GLU B 11 5.230 8.584 -7.866 1.00 0.00 H new ATOM 1262 N ASN B 12 9.068 6.080 -5.769 1.00 0.00 N ATOM 1263 CA ASN B 12 10.367 5.449 -5.942 1.00 0.00 C ATOM 1264 C ASN B 12 10.549 4.246 -5.020 1.00 0.00 C ATOM 1265 O ASN B 12 10.834 3.130 -5.481 1.00 0.00 O ATOM 1266 CB ASN B 12 11.456 6.501 -5.651 1.00 0.00 C ATOM 1267 CG ASN B 12 12.874 5.980 -5.670 1.00 0.00 C ATOM 1268 OD1 ASN B 12 13.386 5.491 -4.665 1.00 0.00 O ATOM 1269 ND2 ASN B 12 13.533 6.143 -6.769 1.00 0.00 N ATOM 0 H ASN B 12 9.139 7.086 -5.618 1.00 0.00 H new ATOM 0 HA ASN B 12 10.443 5.081 -6.965 1.00 0.00 H new ATOM 0 HB2 ASN B 12 11.370 7.302 -6.385 1.00 0.00 H new ATOM 0 HB3 ASN B 12 11.261 6.942 -4.674 1.00 0.00 H new ATOM 0 HD21 ASN B 12 14.512 5.862 -6.823 1.00 0.00 H new ATOM 0 HD22 ASN B 12 13.074 6.552 -7.583 1.00 0.00 H new ATOM 1276 N LYS B 13 10.340 4.471 -3.745 1.00 0.00 N ATOM 1277 CA LYS B 13 10.592 3.475 -2.739 1.00 0.00 C ATOM 1278 C LYS B 13 9.536 2.374 -2.779 1.00 0.00 C ATOM 1279 O LYS B 13 9.855 1.192 -2.637 1.00 0.00 O ATOM 1280 CB LYS B 13 10.660 4.140 -1.370 1.00 0.00 C ATOM 1281 CG LYS B 13 11.477 3.376 -0.340 1.00 0.00 C ATOM 1282 CD LYS B 13 12.915 3.133 -0.823 1.00 0.00 C ATOM 1283 CE LYS B 13 13.629 4.413 -1.235 1.00 0.00 C ATOM 1284 NZ LYS B 13 14.979 4.142 -1.762 1.00 0.00 N ATOM 0 H LYS B 13 9.989 5.355 -3.377 1.00 0.00 H new ATOM 0 HA LYS B 13 11.552 2.999 -2.941 1.00 0.00 H new ATOM 0 HB2 LYS B 13 11.084 5.138 -1.485 1.00 0.00 H new ATOM 0 HB3 LYS B 13 9.646 4.267 -0.990 1.00 0.00 H new ATOM 0 HG2 LYS B 13 11.497 3.934 0.596 1.00 0.00 H new ATOM 0 HG3 LYS B 13 10.997 2.420 -0.131 1.00 0.00 H new ATOM 0 HD2 LYS B 13 13.482 2.647 -0.029 1.00 0.00 H new ATOM 0 HD3 LYS B 13 12.897 2.445 -1.669 1.00 0.00 H new ATOM 0 HE2 LYS B 13 13.040 4.930 -1.993 1.00 0.00 H new ATOM 0 HE3 LYS B 13 13.701 5.081 -0.377 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 15.561 5.000 -1.682 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 15.417 3.374 -1.215 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 14.912 3.861 -2.761 1.00 0.00 H new ATOM 1298 N LYS B 14 8.290 2.773 -2.983 1.00 0.00 N ATOM 1299 CA LYS B 14 7.183 1.861 -3.162 1.00 0.00 C ATOM 1300 C LYS B 14 7.461 0.949 -4.339 1.00 0.00 C ATOM 1301 O LYS B 14 7.307 -0.243 -4.242 1.00 0.00 O ATOM 1302 CB LYS B 14 5.910 2.656 -3.427 1.00 0.00 C ATOM 1303 CG LYS B 14 4.704 1.813 -3.808 1.00 0.00 C ATOM 1304 CD LYS B 14 3.493 2.675 -4.148 1.00 0.00 C ATOM 1305 CE LYS B 14 3.766 3.590 -5.327 1.00 0.00 C ATOM 1306 NZ LYS B 14 2.604 4.443 -5.667 1.00 0.00 N ATOM 0 H LYS B 14 8.021 3.756 -3.029 1.00 0.00 H new ATOM 0 HA LYS B 14 7.059 1.261 -2.261 1.00 0.00 H new ATOM 0 HB2 LYS B 14 5.666 3.233 -2.535 1.00 0.00 H new ATOM 0 HB3 LYS B 14 6.104 3.371 -4.226 1.00 0.00 H new ATOM 0 HG2 LYS B 14 4.955 1.186 -4.663 1.00 0.00 H new ATOM 0 HG3 LYS B 14 4.454 1.144 -2.985 1.00 0.00 H new ATOM 0 HD2 LYS B 14 2.642 2.033 -4.376 1.00 0.00 H new ATOM 0 HD3 LYS B 14 3.217 3.273 -3.280 1.00 0.00 H new ATOM 0 HE2 LYS B 14 4.623 4.224 -5.099 1.00 0.00 H new ATOM 0 HE3 LYS B 14 4.036 2.988 -6.195 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 2.819 4.999 -6.519 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 1.773 3.843 -5.845 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 2.403 5.087 -4.875 1.00 0.00 H new ATOM 1320 N LYS B 15 7.891 1.535 -5.439 1.00 0.00 N ATOM 1321 CA LYS B 15 8.211 0.798 -6.646 1.00 0.00 C ATOM 1322 C LYS B 15 9.354 -0.175 -6.421 1.00 0.00 C ATOM 1323 O LYS B 15 9.308 -1.299 -6.912 1.00 0.00 O ATOM 1324 CB LYS B 15 8.447 1.760 -7.807 1.00 0.00 C ATOM 1325 CG LYS B 15 7.145 2.349 -8.366 1.00 0.00 C ATOM 1326 CD LYS B 15 7.393 3.627 -9.150 1.00 0.00 C ATOM 1327 CE LYS B 15 6.185 4.035 -10.006 1.00 0.00 C ATOM 1328 NZ LYS B 15 4.931 4.268 -9.225 1.00 0.00 N ATOM 0 H LYS B 15 8.029 2.542 -5.521 1.00 0.00 H new ATOM 0 HA LYS B 15 7.356 0.179 -6.920 1.00 0.00 H new ATOM 0 HB2 LYS B 15 9.094 2.572 -7.474 1.00 0.00 H new ATOM 0 HB3 LYS B 15 8.976 1.237 -8.604 1.00 0.00 H new ATOM 0 HG2 LYS B 15 6.662 1.615 -9.011 1.00 0.00 H new ATOM 0 HG3 LYS B 15 6.457 2.554 -7.545 1.00 0.00 H new ATOM 0 HD2 LYS B 15 7.633 4.434 -8.457 1.00 0.00 H new ATOM 0 HD3 LYS B 15 8.262 3.492 -9.794 1.00 0.00 H new ATOM 0 HE2 LYS B 15 6.433 4.944 -10.554 1.00 0.00 H new ATOM 0 HE3 LYS B 15 5.999 3.257 -10.747 1.00 0.00 H new ATOM 0 HZ1 LYS B 15 4.145 4.456 -9.879 1.00 0.00 H new ATOM 0 HZ2 LYS B 15 4.714 3.425 -8.656 1.00 0.00 H new ATOM 0 HZ3 LYS B 15 5.061 5.086 -8.596 1.00 0.00 H new ATOM 1342 N GLU B 16 10.347 0.232 -5.634 1.00 0.00 N ATOM 1343 CA GLU B 16 11.428 -0.672 -5.240 1.00 0.00 C ATOM 1344 C GLU B 16 10.871 -1.860 -4.467 1.00 0.00 C ATOM 1345 O GLU B 16 11.312 -3.007 -4.636 1.00 0.00 O ATOM 1346 CB GLU B 16 12.475 0.033 -4.383 1.00 0.00 C ATOM 1347 CG GLU B 16 13.368 0.989 -5.119 1.00 0.00 C ATOM 1348 CD GLU B 16 14.484 1.465 -4.236 1.00 0.00 C ATOM 1349 OE1 GLU B 16 15.269 0.617 -3.761 1.00 0.00 O ATOM 1350 OE2 GLU B 16 14.587 2.674 -3.974 1.00 0.00 O ATOM 0 H GLU B 16 10.427 1.177 -5.257 1.00 0.00 H new ATOM 0 HA GLU B 16 11.907 -1.016 -6.157 1.00 0.00 H new ATOM 0 HB2 GLU B 16 11.964 0.577 -3.589 1.00 0.00 H new ATOM 0 HB3 GLU B 16 13.097 -0.723 -3.903 1.00 0.00 H new ATOM 0 HG2 GLU B 16 13.780 0.501 -6.002 1.00 0.00 H new ATOM 0 HG3 GLU B 16 12.786 1.842 -5.468 1.00 0.00 H new ATOM 1357 N LEU B 17 9.901 -1.580 -3.635 1.00 0.00 N ATOM 1358 CA LEU B 17 9.244 -2.586 -2.851 1.00 0.00 C ATOM 1359 C LEU B 17 8.409 -3.492 -3.734 1.00 0.00 C ATOM 1360 O LEU B 17 8.442 -4.709 -3.573 1.00 0.00 O ATOM 1361 CB LEU B 17 8.416 -1.918 -1.723 1.00 0.00 C ATOM 1362 CG LEU B 17 7.405 -2.778 -0.933 1.00 0.00 C ATOM 1363 CD1 LEU B 17 6.126 -3.009 -1.687 1.00 0.00 C ATOM 1364 CD2 LEU B 17 8.029 -4.067 -0.419 1.00 0.00 C ATOM 0 H LEU B 17 9.544 -0.637 -3.483 1.00 0.00 H new ATOM 0 HA LEU B 17 9.990 -3.222 -2.373 1.00 0.00 H new ATOM 0 HB2 LEU B 17 9.118 -1.492 -1.006 1.00 0.00 H new ATOM 0 HB3 LEU B 17 7.867 -1.086 -2.165 1.00 0.00 H new ATOM 0 HG LEU B 17 7.127 -2.199 -0.052 1.00 0.00 H new ATOM 0 HD11 LEU B 17 5.453 -3.619 -1.084 1.00 0.00 H new ATOM 0 HD12 LEU B 17 5.652 -2.051 -1.902 1.00 0.00 H new ATOM 0 HD13 LEU B 17 6.343 -3.525 -2.622 1.00 0.00 H new ATOM 0 HD21 LEU B 17 7.281 -4.639 0.130 1.00 0.00 H new ATOM 0 HD22 LEU B 17 8.391 -4.657 -1.261 1.00 0.00 H new ATOM 0 HD23 LEU B 17 8.862 -3.829 0.243 1.00 0.00 H new ATOM 1376 N ILE B 18 7.654 -2.897 -4.644 1.00 0.00 N ATOM 1377 CA ILE B 18 6.807 -3.646 -5.561 1.00 0.00 C ATOM 1378 C ILE B 18 7.647 -4.670 -6.312 1.00 0.00 C ATOM 1379 O ILE B 18 7.255 -5.819 -6.444 1.00 0.00 O ATOM 1380 CB ILE B 18 6.072 -2.715 -6.566 1.00 0.00 C ATOM 1381 CG1 ILE B 18 5.165 -1.742 -5.813 1.00 0.00 C ATOM 1382 CG2 ILE B 18 5.247 -3.534 -7.574 1.00 0.00 C ATOM 1383 CD1 ILE B 18 4.613 -0.629 -6.668 1.00 0.00 C ATOM 0 H ILE B 18 7.610 -1.886 -4.768 1.00 0.00 H new ATOM 0 HA ILE B 18 6.044 -4.155 -4.972 1.00 0.00 H new ATOM 0 HB ILE B 18 6.822 -2.150 -7.119 1.00 0.00 H new ATOM 0 HG12 ILE B 18 4.334 -2.298 -5.379 1.00 0.00 H new ATOM 0 HG13 ILE B 18 5.725 -1.307 -4.985 1.00 0.00 H new ATOM 0 HG21 ILE B 18 4.743 -2.859 -8.265 1.00 0.00 H new ATOM 0 HG22 ILE B 18 5.908 -4.197 -8.132 1.00 0.00 H new ATOM 0 HG23 ILE B 18 4.505 -4.127 -7.040 1.00 0.00 H new ATOM 0 HD11 ILE B 18 3.980 0.017 -6.060 1.00 0.00 H new ATOM 0 HD12 ILE B 18 5.436 -0.046 -7.082 1.00 0.00 H new ATOM 0 HD13 ILE B 18 4.024 -1.053 -7.481 1.00 0.00 H new ATOM 1395 N GLN B 19 8.831 -4.242 -6.739 1.00 0.00 N ATOM 1396 CA GLN B 19 9.791 -5.113 -7.407 1.00 0.00 C ATOM 1397 C GLN B 19 10.167 -6.304 -6.513 1.00 0.00 C ATOM 1398 O GLN B 19 10.303 -7.436 -6.992 1.00 0.00 O ATOM 1399 CB GLN B 19 11.054 -4.338 -7.783 1.00 0.00 C ATOM 1400 CG GLN B 19 10.849 -3.238 -8.809 1.00 0.00 C ATOM 1401 CD GLN B 19 12.133 -2.487 -9.116 1.00 0.00 C ATOM 1402 OE1 GLN B 19 13.020 -2.350 -8.262 1.00 0.00 O ATOM 1403 NE2 GLN B 19 12.253 -2.006 -10.324 1.00 0.00 N ATOM 0 H GLN B 19 9.152 -3.280 -6.631 1.00 0.00 H new ATOM 0 HA GLN B 19 9.319 -5.489 -8.315 1.00 0.00 H new ATOM 0 HB2 GLN B 19 11.475 -3.897 -6.879 1.00 0.00 H new ATOM 0 HB3 GLN B 19 11.792 -5.041 -8.168 1.00 0.00 H new ATOM 0 HG2 GLN B 19 10.456 -3.671 -9.729 1.00 0.00 H new ATOM 0 HG3 GLN B 19 10.100 -2.537 -8.441 1.00 0.00 H new ATOM 0 HE21 GLN B 19 11.503 -2.137 -11.002 1.00 0.00 H new ATOM 0 HE22 GLN B 19 13.097 -1.499 -10.589 1.00 0.00 H new ATOM 1412 N LEU B 20 10.314 -6.048 -5.222 1.00 0.00 N ATOM 1413 CA LEU B 20 10.659 -7.084 -4.250 1.00 0.00 C ATOM 1414 C LEU B 20 9.505 -8.054 -4.058 1.00 0.00 C ATOM 1415 O LEU B 20 9.701 -9.268 -4.114 1.00 0.00 O ATOM 1416 CB LEU B 20 11.072 -6.487 -2.904 1.00 0.00 C ATOM 1417 CG LEU B 20 12.318 -5.604 -2.899 1.00 0.00 C ATOM 1418 CD1 LEU B 20 12.560 -5.055 -1.510 1.00 0.00 C ATOM 1419 CD2 LEU B 20 13.538 -6.378 -3.381 1.00 0.00 C ATOM 0 H LEU B 20 10.199 -5.120 -4.815 1.00 0.00 H new ATOM 0 HA LEU B 20 11.514 -7.627 -4.653 1.00 0.00 H new ATOM 0 HB2 LEU B 20 10.237 -5.900 -2.522 1.00 0.00 H new ATOM 0 HB3 LEU B 20 11.233 -7.306 -2.203 1.00 0.00 H new ATOM 0 HG LEU B 20 12.152 -4.774 -3.585 1.00 0.00 H new ATOM 0 HD11 LEU B 20 13.451 -4.427 -1.517 1.00 0.00 H new ATOM 0 HD12 LEU B 20 11.700 -4.462 -1.198 1.00 0.00 H new ATOM 0 HD13 LEU B 20 12.704 -5.880 -0.813 1.00 0.00 H new ATOM 0 HD21 LEU B 20 14.411 -5.726 -3.368 1.00 0.00 H new ATOM 0 HD22 LEU B 20 13.711 -7.230 -2.724 1.00 0.00 H new ATOM 0 HD23 LEU B 20 13.366 -6.733 -4.397 1.00 0.00 H new ATOM 1431 N VAL B 21 8.303 -7.526 -3.824 1.00 0.00 N ATOM 1432 CA VAL B 21 7.117 -8.376 -3.698 1.00 0.00 C ATOM 1433 C VAL B 21 6.903 -9.188 -4.994 1.00 0.00 C ATOM 1434 O VAL B 21 6.583 -10.372 -4.959 1.00 0.00 O ATOM 1435 CB VAL B 21 5.849 -7.538 -3.390 1.00 0.00 C ATOM 1436 CG1 VAL B 21 4.655 -8.424 -3.067 1.00 0.00 C ATOM 1437 CG2 VAL B 21 6.114 -6.582 -2.259 1.00 0.00 C ATOM 0 H VAL B 21 8.125 -6.527 -3.719 1.00 0.00 H new ATOM 0 HA VAL B 21 7.285 -9.058 -2.865 1.00 0.00 H new ATOM 0 HB VAL B 21 5.604 -6.968 -4.286 1.00 0.00 H new ATOM 0 HG11 VAL B 21 3.786 -7.801 -2.857 1.00 0.00 H new ATOM 0 HG12 VAL B 21 4.441 -9.070 -3.918 1.00 0.00 H new ATOM 0 HG13 VAL B 21 4.882 -9.036 -2.194 1.00 0.00 H new ATOM 0 HG21 VAL B 21 5.214 -6.001 -2.055 1.00 0.00 H new ATOM 0 HG22 VAL B 21 6.394 -7.142 -1.367 1.00 0.00 H new ATOM 0 HG23 VAL B 21 6.926 -5.909 -2.534 1.00 0.00 H new ATOM 1447 N ALA B 22 7.131 -8.547 -6.121 1.00 0.00 N ATOM 1448 CA ALA B 22 6.994 -9.167 -7.427 1.00 0.00 C ATOM 1449 C ALA B 22 7.953 -10.347 -7.603 1.00 0.00 C ATOM 1450 O ALA B 22 7.540 -11.441 -8.011 1.00 0.00 O ATOM 1451 CB ALA B 22 7.214 -8.139 -8.516 1.00 0.00 C ATOM 0 H ALA B 22 7.420 -7.570 -6.159 1.00 0.00 H new ATOM 0 HA ALA B 22 5.980 -9.559 -7.503 1.00 0.00 H new ATOM 0 HB1 ALA B 22 7.109 -8.614 -9.491 1.00 0.00 H new ATOM 0 HB2 ALA B 22 6.476 -7.343 -8.419 1.00 0.00 H new ATOM 0 HB3 ALA B 22 8.215 -7.719 -8.423 1.00 0.00 H new ATOM 1457 N ARG B 23 9.222 -10.152 -7.237 1.00 0.00 N ATOM 1458 CA ARG B 23 10.237 -11.201 -7.396 1.00 0.00 C ATOM 1459 C ARG B 23 10.068 -12.305 -6.359 1.00 0.00 C ATOM 1460 O ARG B 23 10.771 -13.310 -6.394 1.00 0.00 O ATOM 1461 CB ARG B 23 11.662 -10.626 -7.351 1.00 0.00 C ATOM 1462 CG ARG B 23 12.059 -10.011 -6.018 1.00 0.00 C ATOM 1463 CD ARG B 23 13.400 -9.293 -6.099 1.00 0.00 C ATOM 1464 NE ARG B 23 14.506 -10.192 -6.440 1.00 0.00 N ATOM 1465 CZ ARG B 23 15.359 -10.026 -7.459 1.00 0.00 C ATOM 1466 NH1 ARG B 23 15.192 -9.031 -8.332 1.00 0.00 N ATOM 1467 NH2 ARG B 23 16.371 -10.869 -7.604 1.00 0.00 N ATOM 0 H ARG B 23 9.572 -9.284 -6.831 1.00 0.00 H new ATOM 0 HA ARG B 23 10.087 -11.640 -8.382 1.00 0.00 H new ATOM 0 HB2 ARG B 23 12.367 -11.421 -7.593 1.00 0.00 H new ATOM 0 HB3 ARG B 23 11.758 -9.868 -8.128 1.00 0.00 H new ATOM 0 HG2 ARG B 23 11.290 -9.308 -5.699 1.00 0.00 H new ATOM 0 HG3 ARG B 23 12.111 -10.792 -5.259 1.00 0.00 H new ATOM 0 HD2 ARG B 23 13.338 -8.501 -6.845 1.00 0.00 H new ATOM 0 HD3 ARG B 23 13.609 -8.814 -5.142 1.00 0.00 H new ATOM 0 HE ARG B 23 14.637 -11.014 -5.851 1.00 0.00 H new ATOM 0 HH11 ARG B 23 14.408 -8.387 -8.227 1.00 0.00 H new ATOM 0 HH12 ARG B 23 15.848 -8.915 -9.104 1.00 0.00 H new ATOM 0 HH21 ARG B 23 16.495 -11.636 -6.943 1.00 0.00 H new ATOM 0 HH22 ARG B 23 17.026 -10.751 -8.377 1.00 0.00 H new ATOM 1481 N HIS B 24 9.142 -12.105 -5.438 1.00 0.00 N ATOM 1482 CA HIS B 24 8.834 -13.104 -4.444 1.00 0.00 C ATOM 1483 C HIS B 24 8.080 -14.280 -5.087 1.00 0.00 C ATOM 1484 O HIS B 24 8.213 -15.429 -4.648 1.00 0.00 O ATOM 1485 CB HIS B 24 8.009 -12.494 -3.281 1.00 0.00 C ATOM 1486 CG HIS B 24 7.618 -13.494 -2.224 1.00 0.00 C ATOM 1487 ND1 HIS B 24 8.329 -13.957 -1.184 1.00 0.00 N flip ATOM 1488 CD2 HIS B 24 6.411 -14.160 -2.178 1.00 0.00 C flip ATOM 1489 CE1 HIS B 24 7.593 -14.909 -0.495 1.00 0.00 C flip ATOM 1490 NE2 HIS B 24 6.447 -14.990 -1.134 1.00 0.00 N flip ATOM 0 H HIS B 24 8.589 -11.251 -5.362 1.00 0.00 H new ATOM 0 HA HIS B 24 9.771 -13.476 -4.030 1.00 0.00 H new ATOM 0 HB2 HIS B 24 8.588 -11.696 -2.817 1.00 0.00 H new ATOM 0 HB3 HIS B 24 7.107 -12.038 -3.688 1.00 0.00 H new ATOM 0 HD2 HIS B 24 5.586 -14.033 -2.863 1.00 0.00 H new ATOM 0 HE1 HIS B 24 7.896 -15.465 0.380 1.00 0.00 H new ATOM 0 HE2 HIS B 24 5.682 -15.609 -0.866 1.00 0.00 H new ATOM 1498 N GLY B 25 7.313 -14.002 -6.132 1.00 0.00 N ATOM 1499 CA GLY B 25 6.558 -15.069 -6.759 1.00 0.00 C ATOM 1500 C GLY B 25 5.291 -14.610 -7.444 1.00 0.00 C ATOM 1501 O GLY B 25 4.620 -15.406 -8.101 1.00 0.00 O ATOM 0 H GLY B 25 7.200 -13.078 -6.550 1.00 0.00 H new ATOM 0 HA2 GLY B 25 7.194 -15.567 -7.491 1.00 0.00 H new ATOM 0 HA3 GLY B 25 6.301 -15.810 -6.003 1.00 0.00 H new ATOM 1505 N LEU B 26 4.939 -13.349 -7.262 1.00 0.00 N ATOM 1506 CA LEU B 26 3.773 -12.759 -7.871 1.00 0.00 C ATOM 1507 C LEU B 26 3.709 -12.883 -9.382 1.00 0.00 C ATOM 1508 O LEU B 26 4.723 -12.807 -10.089 1.00 0.00 O ATOM 1509 CB LEU B 26 3.649 -11.300 -7.474 1.00 0.00 C ATOM 1510 CG LEU B 26 2.967 -11.017 -6.146 1.00 0.00 C ATOM 1511 CD1 LEU B 26 3.678 -11.627 -4.966 1.00 0.00 C ATOM 1512 CD2 LEU B 26 2.733 -9.539 -5.968 1.00 0.00 C ATOM 0 H LEU B 26 5.467 -12.702 -6.677 1.00 0.00 H new ATOM 0 HA LEU B 26 2.932 -13.337 -7.488 1.00 0.00 H new ATOM 0 HB2 LEU B 26 4.649 -10.868 -7.443 1.00 0.00 H new ATOM 0 HB3 LEU B 26 3.100 -10.778 -8.258 1.00 0.00 H new ATOM 0 HG LEU B 26 1.996 -11.511 -6.181 1.00 0.00 H new ATOM 0 HD11 LEU B 26 3.137 -11.386 -4.051 1.00 0.00 H new ATOM 0 HD12 LEU B 26 3.721 -12.709 -5.087 1.00 0.00 H new ATOM 0 HD13 LEU B 26 4.690 -11.228 -4.905 1.00 0.00 H new ATOM 0 HD21 LEU B 26 2.244 -9.361 -5.010 1.00 0.00 H new ATOM 0 HD22 LEU B 26 3.688 -9.014 -5.991 1.00 0.00 H new ATOM 0 HD23 LEU B 26 2.098 -9.172 -6.774 1.00 0.00 H new ATOM 1524 N ASP B 27 2.498 -13.079 -9.851 1.00 0.00 N ATOM 1525 CA ASP B 27 2.179 -13.124 -11.276 1.00 0.00 C ATOM 1526 C ASP B 27 2.238 -11.706 -11.824 1.00 0.00 C ATOM 1527 O ASP B 27 2.322 -10.744 -11.054 1.00 0.00 O ATOM 1528 CB ASP B 27 0.738 -13.647 -11.528 1.00 0.00 C ATOM 1529 CG ASP B 27 0.437 -15.032 -11.003 1.00 0.00 C ATOM 1530 OD1 ASP B 27 0.746 -16.024 -11.687 1.00 0.00 O ATOM 1531 OD2 ASP B 27 -0.161 -15.151 -9.898 1.00 0.00 O ATOM 0 H ASP B 27 1.686 -13.215 -9.249 1.00 0.00 H new ATOM 0 HA ASP B 27 2.893 -13.791 -11.759 1.00 0.00 H new ATOM 0 HB2 ASP B 27 0.034 -12.948 -11.077 1.00 0.00 H new ATOM 0 HB3 ASP B 27 0.552 -13.638 -12.602 1.00 0.00 H new ATOM 1536 N HIS B 28 2.134 -11.580 -13.125 1.00 0.00 N ATOM 1537 CA HIS B 28 2.134 -10.285 -13.816 1.00 0.00 C ATOM 1538 C HIS B 28 0.998 -9.409 -13.266 1.00 0.00 C ATOM 1539 O HIS B 28 1.218 -8.274 -12.829 1.00 0.00 O ATOM 1540 CB HIS B 28 1.940 -10.524 -15.335 1.00 0.00 C ATOM 1541 CG HIS B 28 2.025 -9.308 -16.227 1.00 0.00 C ATOM 1542 ND1 HIS B 28 2.946 -9.168 -17.242 1.00 0.00 N ATOM 1543 CD2 HIS B 28 1.246 -8.199 -16.282 1.00 0.00 C ATOM 1544 CE1 HIS B 28 2.712 -8.017 -17.862 1.00 0.00 C ATOM 1545 NE2 HIS B 28 1.684 -7.382 -17.318 1.00 0.00 N ATOM 0 H HIS B 28 2.045 -12.377 -13.755 1.00 0.00 H new ATOM 0 HA HIS B 28 3.082 -9.774 -13.650 1.00 0.00 H new ATOM 0 HB2 HIS B 28 2.690 -11.242 -15.665 1.00 0.00 H new ATOM 0 HB3 HIS B 28 0.966 -10.989 -15.485 1.00 0.00 H new ATOM 0 HD2 HIS B 28 0.416 -7.985 -15.625 1.00 0.00 H new ATOM 0 HE1 HIS B 28 3.285 -7.647 -18.700 1.00 0.00 H new ATOM 0 HE2 HIS B 28 1.295 -6.482 -17.600 1.00 0.00 H new ATOM 1553 N ASP B 29 -0.195 -9.971 -13.244 1.00 0.00 N ATOM 1554 CA ASP B 29 -1.377 -9.256 -12.776 1.00 0.00 C ATOM 1555 C ASP B 29 -1.318 -9.005 -11.289 1.00 0.00 C ATOM 1556 O ASP B 29 -1.837 -8.019 -10.803 1.00 0.00 O ATOM 1557 CB ASP B 29 -2.673 -9.976 -13.149 1.00 0.00 C ATOM 1558 CG ASP B 29 -2.985 -9.931 -14.629 1.00 0.00 C ATOM 1559 OD1 ASP B 29 -3.629 -8.957 -15.083 1.00 0.00 O ATOM 1560 OD2 ASP B 29 -2.591 -10.876 -15.371 1.00 0.00 O ATOM 0 H ASP B 29 -0.377 -10.928 -13.546 1.00 0.00 H new ATOM 0 HA ASP B 29 -1.379 -8.292 -13.286 1.00 0.00 H new ATOM 0 HB2 ASP B 29 -2.605 -11.017 -12.832 1.00 0.00 H new ATOM 0 HB3 ASP B 29 -3.500 -9.528 -12.598 1.00 0.00 H new ATOM 1565 N LYS B 30 -0.647 -9.882 -10.576 1.00 0.00 N ATOM 1566 CA LYS B 30 -0.470 -9.740 -9.134 1.00 0.00 C ATOM 1567 C LYS B 30 0.287 -8.465 -8.809 1.00 0.00 C ATOM 1568 O LYS B 30 -0.078 -7.746 -7.889 1.00 0.00 O ATOM 1569 CB LYS B 30 0.259 -10.947 -8.579 1.00 0.00 C ATOM 1570 CG LYS B 30 -0.582 -12.196 -8.529 1.00 0.00 C ATOM 1571 CD LYS B 30 -1.280 -12.346 -7.196 1.00 0.00 C ATOM 1572 CE LYS B 30 -2.294 -13.482 -7.230 1.00 0.00 C ATOM 1573 NZ LYS B 30 -1.658 -14.797 -7.524 1.00 0.00 N ATOM 0 H LYS B 30 -0.207 -10.713 -10.970 1.00 0.00 H new ATOM 0 HA LYS B 30 -1.453 -9.678 -8.667 1.00 0.00 H new ATOM 0 HB2 LYS B 30 1.142 -11.139 -9.189 1.00 0.00 H new ATOM 0 HB3 LYS B 30 0.611 -10.717 -7.573 1.00 0.00 H new ATOM 0 HG2 LYS B 30 -1.324 -12.168 -9.327 1.00 0.00 H new ATOM 0 HG3 LYS B 30 0.048 -13.067 -8.710 1.00 0.00 H new ATOM 0 HD2 LYS B 30 -0.543 -12.536 -6.416 1.00 0.00 H new ATOM 0 HD3 LYS B 30 -1.783 -11.414 -6.939 1.00 0.00 H new ATOM 0 HE2 LYS B 30 -2.809 -13.536 -6.271 1.00 0.00 H new ATOM 0 HE3 LYS B 30 -3.050 -13.269 -7.986 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 -2.378 -15.547 -7.487 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 -1.232 -14.772 -8.473 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 -0.919 -14.991 -6.818 1.00 0.00 H new ATOM 1587 N VAL B 31 1.319 -8.179 -9.598 1.00 0.00 N ATOM 1588 CA VAL B 31 2.110 -6.974 -9.442 1.00 0.00 C ATOM 1589 C VAL B 31 1.225 -5.753 -9.708 1.00 0.00 C ATOM 1590 O VAL B 31 1.305 -4.740 -9.007 1.00 0.00 O ATOM 1591 CB VAL B 31 3.323 -6.977 -10.423 1.00 0.00 C ATOM 1592 CG1 VAL B 31 4.198 -5.749 -10.242 1.00 0.00 C ATOM 1593 CG2 VAL B 31 4.143 -8.244 -10.253 1.00 0.00 C ATOM 0 H VAL B 31 1.626 -8.780 -10.363 1.00 0.00 H new ATOM 0 HA VAL B 31 2.497 -6.934 -8.424 1.00 0.00 H new ATOM 0 HB VAL B 31 2.924 -6.949 -11.437 1.00 0.00 H new ATOM 0 HG11 VAL B 31 5.031 -5.789 -10.944 1.00 0.00 H new ATOM 0 HG12 VAL B 31 3.609 -4.851 -10.430 1.00 0.00 H new ATOM 0 HG13 VAL B 31 4.583 -5.724 -9.223 1.00 0.00 H new ATOM 0 HG21 VAL B 31 4.985 -8.228 -10.945 1.00 0.00 H new ATOM 0 HG22 VAL B 31 4.516 -8.302 -9.230 1.00 0.00 H new ATOM 0 HG23 VAL B 31 3.518 -9.112 -10.461 1.00 0.00 H new ATOM 1603 N LEU B 32 0.346 -5.888 -10.689 1.00 0.00 N ATOM 1604 CA LEU B 32 -0.574 -4.827 -11.064 1.00 0.00 C ATOM 1605 C LEU B 32 -1.572 -4.533 -9.943 1.00 0.00 C ATOM 1606 O LEU B 32 -1.684 -3.389 -9.501 1.00 0.00 O ATOM 1607 CB LEU B 32 -1.302 -5.182 -12.354 1.00 0.00 C ATOM 1608 CG LEU B 32 -0.415 -5.421 -13.575 1.00 0.00 C ATOM 1609 CD1 LEU B 32 -1.259 -5.774 -14.770 1.00 0.00 C ATOM 1610 CD2 LEU B 32 0.446 -4.200 -13.874 1.00 0.00 C ATOM 0 H LEU B 32 0.251 -6.736 -11.247 1.00 0.00 H new ATOM 0 HA LEU B 32 0.010 -3.922 -11.233 1.00 0.00 H new ATOM 0 HB2 LEU B 32 -1.896 -6.079 -12.179 1.00 0.00 H new ATOM 0 HB3 LEU B 32 -2.000 -4.378 -12.588 1.00 0.00 H new ATOM 0 HG LEU B 32 0.250 -6.256 -13.354 1.00 0.00 H new ATOM 0 HD11 LEU B 32 -0.615 -5.942 -15.633 1.00 0.00 H new ATOM 0 HD12 LEU B 32 -1.827 -6.680 -14.559 1.00 0.00 H new ATOM 0 HD13 LEU B 32 -1.947 -4.956 -14.984 1.00 0.00 H new ATOM 0 HD21 LEU B 32 1.067 -4.398 -14.748 1.00 0.00 H new ATOM 0 HD22 LEU B 32 -0.196 -3.342 -14.072 1.00 0.00 H new ATOM 0 HD23 LEU B 32 1.084 -3.986 -13.016 1.00 0.00 H new ATOM 1622 N LEU B 33 -2.268 -5.563 -9.461 1.00 0.00 N ATOM 1623 CA LEU B 33 -3.231 -5.383 -8.367 1.00 0.00 C ATOM 1624 C LEU B 33 -2.561 -4.868 -7.114 1.00 0.00 C ATOM 1625 O LEU B 33 -3.065 -3.942 -6.474 1.00 0.00 O ATOM 1626 CB LEU B 33 -4.037 -6.660 -8.036 1.00 0.00 C ATOM 1627 CG LEU B 33 -5.238 -7.023 -8.929 1.00 0.00 C ATOM 1628 CD1 LEU B 33 -6.230 -5.878 -9.016 1.00 0.00 C ATOM 1629 CD2 LEU B 33 -4.818 -7.502 -10.303 1.00 0.00 C ATOM 0 H LEU B 33 -2.187 -6.520 -9.804 1.00 0.00 H new ATOM 0 HA LEU B 33 -3.939 -4.639 -8.732 1.00 0.00 H new ATOM 0 HB2 LEU B 33 -3.345 -7.502 -8.052 1.00 0.00 H new ATOM 0 HB3 LEU B 33 -4.401 -6.566 -7.013 1.00 0.00 H new ATOM 0 HG LEU B 33 -5.741 -7.863 -8.450 1.00 0.00 H new ATOM 0 HD11 LEU B 33 -7.065 -6.168 -9.654 1.00 0.00 H new ATOM 0 HD12 LEU B 33 -6.600 -5.641 -8.019 1.00 0.00 H new ATOM 0 HD13 LEU B 33 -5.738 -5.002 -9.438 1.00 0.00 H new ATOM 0 HD21 LEU B 33 -5.704 -7.744 -10.890 1.00 0.00 H new ATOM 0 HD22 LEU B 33 -4.253 -6.717 -10.805 1.00 0.00 H new ATOM 0 HD23 LEU B 33 -4.194 -8.391 -10.204 1.00 0.00 H new ATOM 1641 N PHE B 34 -1.418 -5.441 -6.784 1.00 0.00 N ATOM 1642 CA PHE B 34 -0.685 -5.049 -5.603 1.00 0.00 C ATOM 1643 C PHE B 34 -0.292 -3.574 -5.649 1.00 0.00 C ATOM 1644 O PHE B 34 -0.607 -2.810 -4.724 1.00 0.00 O ATOM 1645 CB PHE B 34 0.562 -5.934 -5.404 1.00 0.00 C ATOM 1646 CG PHE B 34 1.421 -5.475 -4.273 1.00 0.00 C ATOM 1647 CD1 PHE B 34 1.020 -5.667 -2.965 1.00 0.00 C ATOM 1648 CD2 PHE B 34 2.612 -4.804 -4.520 1.00 0.00 C ATOM 1649 CE1 PHE B 34 1.781 -5.196 -1.931 1.00 0.00 C ATOM 1650 CE2 PHE B 34 3.378 -4.344 -3.482 1.00 0.00 C ATOM 1651 CZ PHE B 34 2.959 -4.537 -2.195 1.00 0.00 C ATOM 0 H PHE B 34 -0.978 -6.185 -7.325 1.00 0.00 H new ATOM 0 HA PHE B 34 -1.348 -5.192 -4.750 1.00 0.00 H new ATOM 0 HB2 PHE B 34 0.248 -6.962 -5.222 1.00 0.00 H new ATOM 0 HB3 PHE B 34 1.149 -5.938 -6.322 1.00 0.00 H new ATOM 0 HD1 PHE B 34 0.100 -6.192 -2.758 1.00 0.00 H new ATOM 0 HD2 PHE B 34 2.936 -4.644 -5.538 1.00 0.00 H new ATOM 0 HE1 PHE B 34 1.458 -5.341 -0.911 1.00 0.00 H new ATOM 0 HE2 PHE B 34 4.308 -3.832 -3.679 1.00 0.00 H new ATOM 0 HZ PHE B 34 3.560 -4.168 -1.377 1.00 0.00 H new ATOM 1661 N SER B 35 0.344 -3.173 -6.736 1.00 0.00 N ATOM 1662 CA SER B 35 0.863 -1.835 -6.864 1.00 0.00 C ATOM 1663 C SER B 35 -0.230 -0.774 -6.772 1.00 0.00 C ATOM 1664 O SER B 35 -0.094 0.198 -6.023 1.00 0.00 O ATOM 1665 CB SER B 35 1.679 -1.691 -8.154 1.00 0.00 C ATOM 1666 OG SER B 35 0.929 -2.074 -9.288 1.00 0.00 O ATOM 0 H SER B 35 0.511 -3.768 -7.548 1.00 0.00 H new ATOM 0 HA SER B 35 1.528 -1.665 -6.018 1.00 0.00 H new ATOM 0 HB2 SER B 35 2.006 -0.657 -8.265 1.00 0.00 H new ATOM 0 HB3 SER B 35 2.578 -2.304 -8.087 1.00 0.00 H new ATOM 0 HG SER B 35 0.926 -3.051 -9.364 1.00 0.00 H new ATOM 1672 N ARG B 36 -1.322 -0.979 -7.481 1.00 0.00 N ATOM 1673 CA ARG B 36 -2.385 0.003 -7.517 1.00 0.00 C ATOM 1674 C ARG B 36 -3.189 0.033 -6.219 1.00 0.00 C ATOM 1675 O ARG B 36 -3.746 1.062 -5.850 1.00 0.00 O ATOM 1676 CB ARG B 36 -3.295 -0.214 -8.721 1.00 0.00 C ATOM 1677 CG ARG B 36 -4.077 -1.517 -8.706 1.00 0.00 C ATOM 1678 CD ARG B 36 -4.851 -1.689 -9.992 1.00 0.00 C ATOM 1679 NE ARG B 36 -5.715 -0.535 -10.269 1.00 0.00 N ATOM 1680 CZ ARG B 36 -6.474 -0.382 -11.354 1.00 0.00 C ATOM 1681 NH1 ARG B 36 -6.474 -1.306 -12.320 1.00 0.00 N ATOM 1682 NH2 ARG B 36 -7.204 0.715 -11.486 1.00 0.00 N ATOM 0 H ARG B 36 -1.496 -1.815 -8.039 1.00 0.00 H new ATOM 0 HA ARG B 36 -1.911 0.979 -7.621 1.00 0.00 H new ATOM 0 HB2 ARG B 36 -4.000 0.615 -8.779 1.00 0.00 H new ATOM 0 HB3 ARG B 36 -2.689 -0.181 -9.626 1.00 0.00 H new ATOM 0 HG2 ARG B 36 -3.394 -2.356 -8.572 1.00 0.00 H new ATOM 0 HG3 ARG B 36 -4.763 -1.526 -7.859 1.00 0.00 H new ATOM 0 HD2 ARG B 36 -4.155 -1.828 -10.819 1.00 0.00 H new ATOM 0 HD3 ARG B 36 -5.459 -2.592 -9.932 1.00 0.00 H new ATOM 0 HE ARG B 36 -5.736 0.211 -9.574 1.00 0.00 H new ATOM 0 HH11 ARG B 36 -5.890 -2.137 -12.231 1.00 0.00 H new ATOM 0 HH12 ARG B 36 -7.058 -1.180 -13.146 1.00 0.00 H new ATOM 0 HH21 ARG B 36 -7.182 1.433 -10.761 1.00 0.00 H new ATOM 0 HH22 ARG B 36 -7.788 0.842 -12.312 1.00 0.00 H new ATOM 1696 N ASP B 37 -3.233 -1.073 -5.505 1.00 0.00 N ATOM 1697 CA ASP B 37 -3.996 -1.105 -4.269 1.00 0.00 C ATOM 1698 C ASP B 37 -3.224 -0.433 -3.168 1.00 0.00 C ATOM 1699 O ASP B 37 -3.782 0.331 -2.374 1.00 0.00 O ATOM 1700 CB ASP B 37 -4.367 -2.517 -3.869 1.00 0.00 C ATOM 1701 CG ASP B 37 -5.430 -2.525 -2.803 1.00 0.00 C ATOM 1702 OD1 ASP B 37 -6.590 -2.179 -3.121 1.00 0.00 O ATOM 1703 OD2 ASP B 37 -5.147 -2.866 -1.654 1.00 0.00 O ATOM 0 H ASP B 37 -2.762 -1.944 -5.749 1.00 0.00 H new ATOM 0 HA ASP B 37 -4.925 -0.562 -4.440 1.00 0.00 H new ATOM 0 HB2 ASP B 37 -4.722 -3.063 -4.743 1.00 0.00 H new ATOM 0 HB3 ASP B 37 -3.481 -3.038 -3.506 1.00 0.00 H new ATOM 1708 N LEU B 38 -1.932 -0.680 -3.159 1.00 0.00 N ATOM 1709 CA LEU B 38 -1.032 -0.082 -2.196 1.00 0.00 C ATOM 1710 C LEU B 38 -0.955 1.423 -2.467 1.00 0.00 C ATOM 1711 O LEU B 38 -0.874 2.233 -1.543 1.00 0.00 O ATOM 1712 CB LEU B 38 0.347 -0.786 -2.303 1.00 0.00 C ATOM 1713 CG LEU B 38 1.419 -0.473 -1.245 1.00 0.00 C ATOM 1714 CD1 LEU B 38 2.493 -1.502 -1.289 1.00 0.00 C ATOM 1715 CD2 LEU B 38 2.086 0.806 -1.515 1.00 0.00 C ATOM 0 H LEU B 38 -1.474 -1.304 -3.823 1.00 0.00 H new ATOM 0 HA LEU B 38 -1.388 -0.212 -1.174 1.00 0.00 H new ATOM 0 HB2 LEU B 38 0.171 -1.862 -2.288 1.00 0.00 H new ATOM 0 HB3 LEU B 38 0.766 -0.545 -3.280 1.00 0.00 H new ATOM 0 HG LEU B 38 0.907 -0.448 -0.283 1.00 0.00 H new ATOM 0 HD11 LEU B 38 3.248 -1.273 -0.537 1.00 0.00 H new ATOM 0 HD12 LEU B 38 2.065 -2.484 -1.086 1.00 0.00 H new ATOM 0 HD13 LEU B 38 2.954 -1.505 -2.277 1.00 0.00 H new ATOM 0 HD21 LEU B 38 2.837 0.994 -0.747 1.00 0.00 H new ATOM 0 HD22 LEU B 38 2.568 0.766 -2.492 1.00 0.00 H new ATOM 0 HD23 LEU B 38 1.349 1.609 -1.507 1.00 0.00 H new ATOM 1727 N ASP B 39 -1.030 1.771 -3.745 1.00 0.00 N ATOM 1728 CA ASP B 39 -1.025 3.168 -4.209 1.00 0.00 C ATOM 1729 C ASP B 39 -2.156 3.947 -3.544 1.00 0.00 C ATOM 1730 O ASP B 39 -1.947 5.037 -2.996 1.00 0.00 O ATOM 1731 CB ASP B 39 -1.206 3.200 -5.734 1.00 0.00 C ATOM 1732 CG ASP B 39 -1.150 4.583 -6.345 1.00 0.00 C ATOM 1733 OD1 ASP B 39 -0.029 5.076 -6.620 1.00 0.00 O ATOM 1734 OD2 ASP B 39 -2.223 5.182 -6.606 1.00 0.00 O ATOM 0 H ASP B 39 -1.097 1.091 -4.502 1.00 0.00 H new ATOM 0 HA ASP B 39 -0.074 3.629 -3.942 1.00 0.00 H new ATOM 0 HB2 ASP B 39 -0.433 2.583 -6.192 1.00 0.00 H new ATOM 0 HB3 ASP B 39 -2.165 2.746 -5.983 1.00 0.00 H new ATOM 1739 N LYS B 40 -3.345 3.344 -3.547 1.00 0.00 N ATOM 1740 CA LYS B 40 -4.532 3.947 -2.952 1.00 0.00 C ATOM 1741 C LYS B 40 -4.358 4.169 -1.457 1.00 0.00 C ATOM 1742 O LYS B 40 -4.822 5.176 -0.914 1.00 0.00 O ATOM 1743 CB LYS B 40 -5.780 3.088 -3.161 1.00 0.00 C ATOM 1744 CG LYS B 40 -6.205 2.870 -4.609 1.00 0.00 C ATOM 1745 CD LYS B 40 -7.611 2.263 -4.687 1.00 0.00 C ATOM 1746 CE LYS B 40 -7.718 0.878 -4.041 1.00 0.00 C ATOM 1747 NZ LYS B 40 -7.066 -0.171 -4.835 1.00 0.00 N ATOM 0 H LYS B 40 -3.510 2.427 -3.961 1.00 0.00 H new ATOM 0 HA LYS B 40 -4.662 4.904 -3.457 1.00 0.00 H new ATOM 0 HB2 LYS B 40 -5.608 2.114 -2.703 1.00 0.00 H new ATOM 0 HB3 LYS B 40 -6.609 3.550 -2.625 1.00 0.00 H new ATOM 0 HG2 LYS B 40 -6.185 3.820 -5.144 1.00 0.00 H new ATOM 0 HG3 LYS B 40 -5.493 2.210 -5.105 1.00 0.00 H new ATOM 0 HD2 LYS B 40 -8.316 2.937 -4.201 1.00 0.00 H new ATOM 0 HD3 LYS B 40 -7.909 2.191 -5.733 1.00 0.00 H new ATOM 0 HE2 LYS B 40 -7.268 0.909 -3.049 1.00 0.00 H new ATOM 0 HE3 LYS B 40 -8.770 0.625 -3.906 1.00 0.00 H new ATOM 0 HZ1 LYS B 40 -6.714 -0.917 -4.202 1.00 0.00 H new ATOM 0 HZ2 LYS B 40 -7.752 -0.578 -5.503 1.00 0.00 H new ATOM 0 HZ3 LYS B 40 -6.269 0.238 -5.364 1.00 0.00 H new ATOM 1761 N LEU B 41 -3.693 3.231 -0.801 1.00 0.00 N ATOM 1762 CA LEU B 41 -3.487 3.291 0.637 1.00 0.00 C ATOM 1763 C LEU B 41 -2.590 4.462 1.013 1.00 0.00 C ATOM 1764 O LEU B 41 -2.855 5.173 1.988 1.00 0.00 O ATOM 1765 CB LEU B 41 -2.894 1.974 1.158 1.00 0.00 C ATOM 1766 CG LEU B 41 -2.585 1.916 2.660 1.00 0.00 C ATOM 1767 CD1 LEU B 41 -3.844 2.093 3.495 1.00 0.00 C ATOM 1768 CD2 LEU B 41 -1.875 0.622 3.012 1.00 0.00 C ATOM 0 H LEU B 41 -3.283 2.411 -1.248 1.00 0.00 H new ATOM 0 HA LEU B 41 -4.459 3.442 1.106 1.00 0.00 H new ATOM 0 HB2 LEU B 41 -3.588 1.168 0.920 1.00 0.00 H new ATOM 0 HB3 LEU B 41 -1.973 1.773 0.611 1.00 0.00 H new ATOM 0 HG LEU B 41 -1.918 2.746 2.895 1.00 0.00 H new ATOM 0 HD11 LEU B 41 -3.588 2.047 4.554 1.00 0.00 H new ATOM 0 HD12 LEU B 41 -4.295 3.060 3.273 1.00 0.00 H new ATOM 0 HD13 LEU B 41 -4.552 1.299 3.258 1.00 0.00 H new ATOM 0 HD21 LEU B 41 -1.665 0.601 4.081 1.00 0.00 H new ATOM 0 HD22 LEU B 41 -2.510 -0.224 2.750 1.00 0.00 H new ATOM 0 HD23 LEU B 41 -0.939 0.558 2.457 1.00 0.00 H new ATOM 1780 N ILE B 42 -1.568 4.680 0.220 1.00 0.00 N ATOM 1781 CA ILE B 42 -0.631 5.753 0.489 1.00 0.00 C ATOM 1782 C ILE B 42 -1.322 7.085 0.315 1.00 0.00 C ATOM 1783 O ILE B 42 -1.402 7.868 1.260 1.00 0.00 O ATOM 1784 CB ILE B 42 0.627 5.695 -0.406 1.00 0.00 C ATOM 1785 CG1 ILE B 42 1.302 4.339 -0.273 1.00 0.00 C ATOM 1786 CG2 ILE B 42 1.605 6.799 -0.019 1.00 0.00 C ATOM 1787 CD1 ILE B 42 2.581 4.217 -1.055 1.00 0.00 C ATOM 0 H ILE B 42 -1.361 4.132 -0.615 1.00 0.00 H new ATOM 0 HA ILE B 42 -0.293 5.631 1.518 1.00 0.00 H new ATOM 0 HB ILE B 42 0.322 5.842 -1.442 1.00 0.00 H new ATOM 0 HG12 ILE B 42 1.512 4.150 0.780 1.00 0.00 H new ATOM 0 HG13 ILE B 42 0.610 3.565 -0.604 1.00 0.00 H new ATOM 0 HG21 ILE B 42 2.486 6.745 -0.658 1.00 0.00 H new ATOM 0 HG22 ILE B 42 1.125 7.770 -0.143 1.00 0.00 H new ATOM 0 HG23 ILE B 42 1.904 6.672 1.022 1.00 0.00 H new ATOM 0 HD11 ILE B 42 3.003 3.222 -0.910 1.00 0.00 H new ATOM 0 HD12 ILE B 42 2.376 4.373 -2.114 1.00 0.00 H new ATOM 0 HD13 ILE B 42 3.292 4.967 -0.709 1.00 0.00 H new ATOM 1799 N ASN B 43 -1.885 7.297 -0.869 1.00 0.00 N ATOM 1800 CA ASN B 43 -2.608 8.538 -1.216 1.00 0.00 C ATOM 1801 C ASN B 43 -3.692 8.865 -0.185 1.00 0.00 C ATOM 1802 O ASN B 43 -3.937 10.040 0.133 1.00 0.00 O ATOM 1803 CB ASN B 43 -3.218 8.439 -2.626 1.00 0.00 C ATOM 1804 CG ASN B 43 -2.177 8.488 -3.747 1.00 0.00 C ATOM 1805 OD1 ASN B 43 -1.162 9.181 -3.652 1.00 0.00 O ATOM 1806 ND2 ASN B 43 -2.411 7.757 -4.804 1.00 0.00 N ATOM 0 H ASN B 43 -1.859 6.615 -1.627 1.00 0.00 H new ATOM 0 HA ASN B 43 -1.883 9.352 -1.207 1.00 0.00 H new ATOM 0 HB2 ASN B 43 -3.782 7.509 -2.705 1.00 0.00 H new ATOM 0 HB3 ASN B 43 -3.928 9.255 -2.764 1.00 0.00 H new ATOM 0 HD21 ASN B 43 -1.746 7.750 -5.577 1.00 0.00 H new ATOM 0 HD22 ASN B 43 -3.259 7.193 -4.856 1.00 0.00 H new ATOM 1813 N LYS B 44 -4.299 7.814 0.367 1.00 0.00 N ATOM 1814 CA LYS B 44 -5.313 7.925 1.414 1.00 0.00 C ATOM 1815 C LYS B 44 -4.743 8.652 2.631 1.00 0.00 C ATOM 1816 O LYS B 44 -5.350 9.579 3.160 1.00 0.00 O ATOM 1817 CB LYS B 44 -5.741 6.527 1.859 1.00 0.00 C ATOM 1818 CG LYS B 44 -6.882 6.501 2.867 1.00 0.00 C ATOM 1819 CD LYS B 44 -7.096 5.114 3.442 1.00 0.00 C ATOM 1820 CE LYS B 44 -7.427 4.085 2.369 1.00 0.00 C ATOM 1821 NZ LYS B 44 -8.681 4.384 1.634 1.00 0.00 N ATOM 0 H LYS B 44 -4.098 6.851 0.096 1.00 0.00 H new ATOM 0 HA LYS B 44 -6.161 8.480 1.014 1.00 0.00 H new ATOM 0 HB2 LYS B 44 -6.038 5.956 0.980 1.00 0.00 H new ATOM 0 HB3 LYS B 44 -4.880 6.019 2.293 1.00 0.00 H new ATOM 0 HG2 LYS B 44 -6.668 7.200 3.675 1.00 0.00 H new ATOM 0 HG3 LYS B 44 -7.799 6.840 2.386 1.00 0.00 H new ATOM 0 HD2 LYS B 44 -6.198 4.802 3.976 1.00 0.00 H new ATOM 0 HD3 LYS B 44 -7.905 5.147 4.172 1.00 0.00 H new ATOM 0 HE2 LYS B 44 -6.602 4.033 1.659 1.00 0.00 H new ATOM 0 HE3 LYS B 44 -7.511 3.102 2.832 1.00 0.00 H new ATOM 0 HZ1 LYS B 44 -8.885 3.613 0.967 1.00 0.00 H new ATOM 0 HZ2 LYS B 44 -9.467 4.474 2.310 1.00 0.00 H new ATOM 0 HZ3 LYS B 44 -8.572 5.276 1.110 1.00 0.00 H new ATOM 1835 N PHE B 45 -3.575 8.230 3.055 1.00 0.00 N ATOM 1836 CA PHE B 45 -2.930 8.784 4.225 1.00 0.00 C ATOM 1837 C PHE B 45 -2.221 10.091 3.949 1.00 0.00 C ATOM 1838 O PHE B 45 -2.074 10.925 4.840 1.00 0.00 O ATOM 1839 CB PHE B 45 -1.984 7.782 4.857 1.00 0.00 C ATOM 1840 CG PHE B 45 -2.676 6.806 5.745 1.00 0.00 C ATOM 1841 CD1 PHE B 45 -3.255 5.654 5.245 1.00 0.00 C ATOM 1842 CD2 PHE B 45 -2.758 7.063 7.094 1.00 0.00 C ATOM 1843 CE1 PHE B 45 -3.904 4.772 6.083 1.00 0.00 C ATOM 1844 CE2 PHE B 45 -3.403 6.186 7.942 1.00 0.00 C ATOM 1845 CZ PHE B 45 -3.980 5.038 7.435 1.00 0.00 C ATOM 0 H PHE B 45 -3.042 7.490 2.597 1.00 0.00 H new ATOM 0 HA PHE B 45 -3.728 9.006 4.934 1.00 0.00 H new ATOM 0 HB2 PHE B 45 -1.459 7.240 4.070 1.00 0.00 H new ATOM 0 HB3 PHE B 45 -1.229 8.317 5.433 1.00 0.00 H new ATOM 0 HD1 PHE B 45 -3.198 5.443 4.187 1.00 0.00 H new ATOM 0 HD2 PHE B 45 -2.312 7.962 7.494 1.00 0.00 H new ATOM 0 HE1 PHE B 45 -4.352 3.875 5.682 1.00 0.00 H new ATOM 0 HE2 PHE B 45 -3.457 6.397 9.000 1.00 0.00 H new ATOM 0 HZ PHE B 45 -4.489 4.351 8.095 1.00 0.00 H new ATOM 1855 N MET B 46 -1.791 10.275 2.725 1.00 0.00 N ATOM 1856 CA MET B 46 -1.103 11.502 2.336 1.00 0.00 C ATOM 1857 C MET B 46 -2.104 12.637 2.220 1.00 0.00 C ATOM 1858 O MET B 46 -1.742 13.810 2.264 1.00 0.00 O ATOM 1859 CB MET B 46 -0.426 11.344 0.977 1.00 0.00 C ATOM 1860 CG MET B 46 0.453 10.134 0.827 1.00 0.00 C ATOM 1861 SD MET B 46 1.449 10.194 -0.659 1.00 0.00 S ATOM 1862 CE MET B 46 2.574 11.472 -0.171 1.00 0.00 C ATOM 0 H MET B 46 -1.901 9.595 1.973 1.00 0.00 H new ATOM 0 HA MET B 46 -0.354 11.716 3.099 1.00 0.00 H new ATOM 0 HB2 MET B 46 -1.198 11.308 0.208 1.00 0.00 H new ATOM 0 HB3 MET B 46 0.174 12.233 0.784 1.00 0.00 H new ATOM 0 HG2 MET B 46 1.106 10.053 1.696 1.00 0.00 H new ATOM 0 HG3 MET B 46 -0.167 9.238 0.810 1.00 0.00 H new ATOM 0 HE1 MET B 46 3.424 11.489 -0.854 1.00 0.00 H new ATOM 0 HE2 MET B 46 2.065 12.436 -0.201 1.00 0.00 H new ATOM 0 HE3 MET B 46 2.926 11.279 0.842 1.00 0.00 H new