USER MOD reduce.3.24.130724 H: found=0, std=0, add=559, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 549 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 57 CYS SG : rot -152:sc= 0.26 USER MOD Set 1.2: A 60 CYS SG : rot -111:sc= -0.272 USER MOD Set 1.3: A 73 HIS : no HE2:sc= -3.94! K(o=-3.1!,f=-3.9) USER MOD Set 1.4: A 74 THR OG1 : rot 89:sc= 1.22 USER MOD Set 1.5: A 78 HIS : no HE2:sc= -0.35 K(o=-3.1,f=-4.5) USER MOD Set 2.1: A 27 CYS SG : rot -149:sc= 0.0784 USER MOD Set 2.2: A 29 THR OG1 : rot 180:sc= 0 USER MOD Set 2.3: A 30 CYS SG : rot -86:sc= -0.902! USER MOD Set 2.4: A 44 HIS : no HD1:sc= -2.71 K(o=-6.7,f=-5.5) USER MOD Set 2.5: A 48 CYS SG : rot -120:sc= 0.226 USER MOD Set 2.6: A 52 GLN : amide:sc= -3.36! K(o=-6.7!,f=-5.1) USER MOD Single : A 14 GLN : amide:sc= -2.94! C(o=-2.9!,f=-3.5!) USER MOD Single : A 16 GLN : amide:sc= -0.0763 K(o=-0.076,f=-1.5!) USER MOD Single : A 20 HIS : no HD1:sc= -5.09! C(o=-5.1!,f=-3.3!) USER MOD Single : A 31 ASN : amide:sc= -0.276 X(o=-0.28,f=-0.54) USER MOD Single : A 34 THR OG1 : rot -167:sc= -0.922 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot -29:sc= 0.456 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl -144:sc= -2.26 (180deg=-4.73!) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ -156:sc= -0.115 (180deg=-0.616) USER MOD Single : A 58 GLN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 59 HIS : no HD1:sc=-0.00335 X(o=-0.0033,f=-0.0033) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= -2.15 X(o=-2.1,f=-2.5) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= -2.23! X(o=-2.2!,f=-2) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 MET CE :methyl -157:sc= -0.0749 (180deg=-0.457) USER MOD ----------------------------------------------------------------- ATOM 94 N PRO A 11 -4.400 15.999 -9.341 1.00 0.00 N ATOM 95 CA PRO A 11 -3.224 15.630 -8.547 1.00 0.00 C ATOM 96 C PRO A 11 -1.923 15.797 -9.326 1.00 0.00 C ATOM 97 O PRO A 11 -1.407 14.840 -9.902 1.00 0.00 O ATOM 98 CB PRO A 11 -3.465 14.154 -8.221 1.00 0.00 C ATOM 99 CG PRO A 11 -4.350 13.664 -9.315 1.00 0.00 C ATOM 100 CD PRO A 11 -5.221 14.829 -9.696 1.00 0.00 C ATOM 0 HA PRO A 11 -3.112 16.263 -7.667 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -2.528 13.597 -8.190 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -3.938 14.036 -7.246 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -3.763 13.320 -10.167 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -4.952 12.819 -8.981 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -5.466 14.817 -10.758 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -6.165 14.820 -9.151 1.00 0.00 H new ATOM 108 N GLU A 12 -1.400 17.019 -9.339 1.00 0.00 N ATOM 109 CA GLU A 12 -0.159 17.310 -10.047 1.00 0.00 C ATOM 110 C GLU A 12 0.938 17.732 -9.074 1.00 0.00 C ATOM 111 O GLU A 12 1.547 18.790 -9.230 1.00 0.00 O ATOM 112 CB GLU A 12 -0.385 18.411 -11.086 1.00 0.00 C ATOM 113 CG GLU A 12 -1.546 18.132 -12.026 1.00 0.00 C ATOM 114 CD GLU A 12 -2.218 19.400 -12.515 1.00 0.00 C ATOM 115 OE1 GLU A 12 -1.497 20.329 -12.936 1.00 0.00 O ATOM 116 OE2 GLU A 12 -3.465 19.463 -12.478 1.00 0.00 O ATOM 0 H GLU A 12 -1.816 17.822 -8.868 1.00 0.00 H new ATOM 0 HA GLU A 12 0.161 16.400 -10.555 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -0.565 19.354 -10.570 1.00 0.00 H new ATOM 0 HB3 GLU A 12 0.525 18.537 -11.673 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -1.186 17.562 -12.883 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -2.281 17.510 -11.515 1.00 0.00 H new ATOM 123 N GLU A 13 1.182 16.897 -8.069 1.00 0.00 N ATOM 124 CA GLU A 13 2.204 17.184 -7.069 1.00 0.00 C ATOM 125 C GLU A 13 3.559 16.633 -7.503 1.00 0.00 C ATOM 126 O GLU A 13 4.532 17.377 -7.625 1.00 0.00 O ATOM 127 CB GLU A 13 1.808 16.588 -5.717 1.00 0.00 C ATOM 128 CG GLU A 13 0.605 17.265 -5.082 1.00 0.00 C ATOM 129 CD GLU A 13 -0.609 17.269 -5.991 1.00 0.00 C ATOM 130 OE1 GLU A 13 -1.199 16.188 -6.198 1.00 0.00 O ATOM 131 OE2 GLU A 13 -0.969 18.354 -6.494 1.00 0.00 O ATOM 0 H GLU A 13 0.686 16.017 -7.926 1.00 0.00 H new ATOM 0 HA GLU A 13 2.286 18.266 -6.970 1.00 0.00 H new ATOM 0 HB2 GLU A 13 1.591 15.528 -5.846 1.00 0.00 H new ATOM 0 HB3 GLU A 13 2.656 16.659 -5.036 1.00 0.00 H new ATOM 0 HG2 GLU A 13 0.356 16.756 -4.151 1.00 0.00 H new ATOM 0 HG3 GLU A 13 0.865 18.292 -4.824 1.00 0.00 H new ATOM 138 N GLN A 14 3.614 15.326 -7.733 1.00 0.00 N ATOM 139 CA GLN A 14 4.850 14.675 -8.152 1.00 0.00 C ATOM 140 C GLN A 14 5.116 14.914 -9.635 1.00 0.00 C ATOM 141 O GLN A 14 6.259 15.109 -10.046 1.00 0.00 O ATOM 142 CB GLN A 14 4.781 13.173 -7.870 1.00 0.00 C ATOM 143 CG GLN A 14 6.035 12.419 -8.283 1.00 0.00 C ATOM 144 CD GLN A 14 6.076 12.124 -9.769 1.00 0.00 C ATOM 145 OE1 GLN A 14 6.809 12.767 -10.521 1.00 0.00 O ATOM 146 NE2 GLN A 14 5.287 11.148 -10.201 1.00 0.00 N ATOM 0 H GLN A 14 2.817 14.696 -7.636 1.00 0.00 H new ATOM 0 HA GLN A 14 5.671 15.108 -7.580 1.00 0.00 H new ATOM 0 HB2 GLN A 14 4.609 13.019 -6.805 1.00 0.00 H new ATOM 0 HB3 GLN A 14 3.924 12.752 -8.396 1.00 0.00 H new ATOM 0 HG2 GLN A 14 6.913 13.004 -8.008 1.00 0.00 H new ATOM 0 HG3 GLN A 14 6.090 11.482 -7.729 1.00 0.00 H new ATOM 0 HE21 GLN A 14 4.696 10.641 -9.542 1.00 0.00 H new ATOM 0 HE22 GLN A 14 5.272 10.905 -11.191 1.00 0.00 H new ATOM 155 N TRP A 15 4.053 14.897 -10.431 1.00 0.00 N ATOM 156 CA TRP A 15 4.172 15.112 -11.869 1.00 0.00 C ATOM 157 C TRP A 15 4.799 16.470 -12.166 1.00 0.00 C ATOM 158 O TRP A 15 5.364 16.681 -13.239 1.00 0.00 O ATOM 159 CB TRP A 15 2.800 15.013 -12.536 1.00 0.00 C ATOM 160 CG TRP A 15 2.244 13.621 -12.548 1.00 0.00 C ATOM 161 CD1 TRP A 15 2.949 12.459 -12.687 1.00 0.00 C ATOM 162 CD2 TRP A 15 0.869 13.246 -12.419 1.00 0.00 C ATOM 163 NE1 TRP A 15 2.093 11.384 -12.651 1.00 0.00 N ATOM 164 CE2 TRP A 15 0.812 11.840 -12.487 1.00 0.00 C ATOM 165 CE3 TRP A 15 -0.320 13.960 -12.250 1.00 0.00 C ATOM 166 CZ2 TRP A 15 -0.387 11.138 -12.393 1.00 0.00 C ATOM 167 CZ3 TRP A 15 -1.509 13.262 -12.157 1.00 0.00 C ATOM 168 CH2 TRP A 15 -1.536 11.863 -12.228 1.00 0.00 C ATOM 0 H TRP A 15 3.100 14.737 -10.106 1.00 0.00 H new ATOM 0 HA TRP A 15 4.821 14.336 -12.275 1.00 0.00 H new ATOM 0 HB2 TRP A 15 2.103 15.670 -12.016 1.00 0.00 H new ATOM 0 HB3 TRP A 15 2.875 15.375 -13.561 1.00 0.00 H new ATOM 0 HD1 TRP A 15 4.020 12.395 -12.807 1.00 0.00 H new ATOM 0 HE1 TRP A 15 2.367 10.405 -12.733 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -0.310 15.038 -12.193 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -0.409 10.060 -12.448 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -2.434 13.804 -12.027 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -2.482 11.347 -12.151 1.00 0.00 H new ATOM 179 N GLN A 16 4.694 17.388 -11.210 1.00 0.00 N ATOM 180 CA GLN A 16 5.251 18.725 -11.371 1.00 0.00 C ATOM 181 C GLN A 16 6.762 18.715 -11.163 1.00 0.00 C ATOM 182 O GLN A 16 7.515 19.234 -11.987 1.00 0.00 O ATOM 183 CB GLN A 16 4.595 19.696 -10.387 1.00 0.00 C ATOM 184 CG GLN A 16 4.645 21.146 -10.838 1.00 0.00 C ATOM 185 CD GLN A 16 3.440 21.541 -11.669 1.00 0.00 C ATOM 186 OE1 GLN A 16 2.610 20.701 -12.018 1.00 0.00 O ATOM 187 NE2 GLN A 16 3.337 22.825 -11.991 1.00 0.00 N ATOM 0 H GLN A 16 4.228 17.230 -10.316 1.00 0.00 H new ATOM 0 HA GLN A 16 5.045 19.056 -12.389 1.00 0.00 H new ATOM 0 HB2 GLN A 16 3.555 19.405 -10.242 1.00 0.00 H new ATOM 0 HB3 GLN A 16 5.089 19.608 -9.419 1.00 0.00 H new ATOM 0 HG2 GLN A 16 4.706 21.793 -9.963 1.00 0.00 H new ATOM 0 HG3 GLN A 16 5.552 21.311 -11.419 1.00 0.00 H new ATOM 0 HE21 GLN A 16 4.048 23.487 -11.681 1.00 0.00 H new ATOM 0 HE22 GLN A 16 2.547 23.149 -12.549 1.00 0.00 H new ATOM 196 N ARG A 17 7.198 18.121 -10.057 1.00 0.00 N ATOM 197 CA ARG A 17 8.619 18.045 -9.740 1.00 0.00 C ATOM 198 C ARG A 17 9.441 17.767 -10.995 1.00 0.00 C ATOM 199 O ARG A 17 10.588 18.201 -11.106 1.00 0.00 O ATOM 200 CB ARG A 17 8.873 16.954 -8.698 1.00 0.00 C ATOM 201 CG ARG A 17 8.820 17.457 -7.265 1.00 0.00 C ATOM 202 CD ARG A 17 7.456 17.211 -6.638 1.00 0.00 C ATOM 203 NE ARG A 17 7.421 15.967 -5.873 1.00 0.00 N ATOM 204 CZ ARG A 17 7.810 15.872 -4.607 1.00 0.00 C ATOM 205 NH1 ARG A 17 8.260 16.942 -3.966 1.00 0.00 N ATOM 206 NH2 ARG A 17 7.749 14.705 -3.978 1.00 0.00 N ATOM 0 H ARG A 17 6.588 17.685 -9.366 1.00 0.00 H new ATOM 0 HA ARG A 17 8.927 19.007 -9.331 1.00 0.00 H new ATOM 0 HB2 ARG A 17 8.133 16.163 -8.824 1.00 0.00 H new ATOM 0 HB3 ARG A 17 9.851 16.508 -8.882 1.00 0.00 H new ATOM 0 HG2 ARG A 17 9.588 16.958 -6.674 1.00 0.00 H new ATOM 0 HG3 ARG A 17 9.044 18.523 -7.244 1.00 0.00 H new ATOM 0 HD2 ARG A 17 7.202 18.046 -5.985 1.00 0.00 H new ATOM 0 HD3 ARG A 17 6.698 17.177 -7.421 1.00 0.00 H new ATOM 0 HE ARG A 17 7.079 15.125 -6.337 1.00 0.00 H new ATOM 0 HH11 ARG A 17 8.308 17.841 -4.445 1.00 0.00 H new ATOM 0 HH12 ARG A 17 8.558 16.866 -2.993 1.00 0.00 H new ATOM 0 HH21 ARG A 17 7.403 13.880 -4.467 1.00 0.00 H new ATOM 0 HH22 ARG A 17 8.048 14.634 -3.005 1.00 0.00 H new ATOM 220 N ALA A 18 8.848 17.040 -11.936 1.00 0.00 N ATOM 221 CA ALA A 18 9.525 16.705 -13.182 1.00 0.00 C ATOM 222 C ALA A 18 9.179 17.704 -14.281 1.00 0.00 C ATOM 223 O ALA A 18 10.060 18.192 -14.989 1.00 0.00 O ATOM 224 CB ALA A 18 9.161 15.293 -13.617 1.00 0.00 C ATOM 0 H ALA A 18 7.900 16.672 -11.859 1.00 0.00 H new ATOM 0 HA ALA A 18 10.600 16.755 -13.007 1.00 0.00 H new ATOM 0 HB1 ALA A 18 9.674 15.056 -14.549 1.00 0.00 H new ATOM 0 HB2 ALA A 18 9.464 14.585 -12.846 1.00 0.00 H new ATOM 0 HB3 ALA A 18 8.084 15.225 -13.768 1.00 0.00 H new ATOM 230 N ILE A 19 7.892 18.005 -14.417 1.00 0.00 N ATOM 231 CA ILE A 19 7.431 18.946 -15.429 1.00 0.00 C ATOM 232 C ILE A 19 8.225 20.247 -15.372 1.00 0.00 C ATOM 233 O ILE A 19 8.537 20.842 -16.404 1.00 0.00 O ATOM 234 CB ILE A 19 5.933 19.265 -15.261 1.00 0.00 C ATOM 235 CG1 ILE A 19 5.085 18.054 -15.657 1.00 0.00 C ATOM 236 CG2 ILE A 19 5.553 20.479 -16.095 1.00 0.00 C ATOM 237 CD1 ILE A 19 3.751 17.994 -14.946 1.00 0.00 C ATOM 0 H ILE A 19 7.150 17.610 -13.839 1.00 0.00 H new ATOM 0 HA ILE A 19 7.587 18.469 -16.397 1.00 0.00 H new ATOM 0 HB ILE A 19 5.740 19.494 -14.213 1.00 0.00 H new ATOM 0 HG12 ILE A 19 4.914 18.077 -16.733 1.00 0.00 H new ATOM 0 HG13 ILE A 19 5.644 17.143 -15.442 1.00 0.00 H new ATOM 0 HG21 ILE A 19 4.492 20.692 -15.966 1.00 0.00 H new ATOM 0 HG22 ILE A 19 6.138 21.340 -15.771 1.00 0.00 H new ATOM 0 HG23 ILE A 19 5.757 20.276 -17.146 1.00 0.00 H new ATOM 0 HD11 ILE A 19 3.203 17.111 -15.275 1.00 0.00 H new ATOM 0 HD12 ILE A 19 3.914 17.940 -13.870 1.00 0.00 H new ATOM 0 HD13 ILE A 19 3.173 18.888 -15.181 1.00 0.00 H new ATOM 249 N HIS A 20 8.550 20.683 -14.159 1.00 0.00 N ATOM 250 CA HIS A 20 9.311 21.913 -13.968 1.00 0.00 C ATOM 251 C HIS A 20 10.810 21.642 -14.050 1.00 0.00 C ATOM 252 O HIS A 20 11.573 22.473 -14.542 1.00 0.00 O ATOM 253 CB HIS A 20 8.968 22.544 -12.618 1.00 0.00 C ATOM 254 CG HIS A 20 9.877 22.115 -11.508 1.00 0.00 C ATOM 255 ND1 HIS A 20 10.869 22.923 -10.993 1.00 0.00 N ATOM 256 CD2 HIS A 20 9.939 20.956 -10.812 1.00 0.00 C ATOM 257 CE1 HIS A 20 11.504 22.278 -10.030 1.00 0.00 C ATOM 258 NE2 HIS A 20 10.958 21.082 -9.900 1.00 0.00 N ATOM 0 H HIS A 20 8.299 20.204 -13.294 1.00 0.00 H new ATOM 0 HA HIS A 20 9.041 22.607 -14.764 1.00 0.00 H new ATOM 0 HB2 HIS A 20 9.010 23.629 -12.712 1.00 0.00 H new ATOM 0 HB3 HIS A 20 7.942 22.286 -12.356 1.00 0.00 H new ATOM 0 HD2 HIS A 20 9.305 20.092 -10.948 1.00 0.00 H new ATOM 0 HE1 HIS A 20 12.329 22.663 -9.448 1.00 0.00 H new ATOM 0 HE2 HIS A 20 11.246 20.368 -9.231 1.00 0.00 H new ATOM 266 N GLU A 21 11.224 20.476 -13.564 1.00 0.00 N ATOM 267 CA GLU A 21 12.633 20.099 -13.582 1.00 0.00 C ATOM 268 C GLU A 21 13.141 19.962 -15.014 1.00 0.00 C ATOM 269 O GLU A 21 14.097 20.629 -15.411 1.00 0.00 O ATOM 270 CB GLU A 21 12.841 18.784 -12.828 1.00 0.00 C ATOM 271 CG GLU A 21 13.157 18.971 -11.353 1.00 0.00 C ATOM 272 CD GLU A 21 14.487 19.665 -11.126 1.00 0.00 C ATOM 273 OE1 GLU A 21 15.485 19.252 -11.752 1.00 0.00 O ATOM 274 OE2 GLU A 21 14.528 20.619 -10.322 1.00 0.00 O ATOM 0 H GLU A 21 10.605 19.777 -13.154 1.00 0.00 H new ATOM 0 HA GLU A 21 13.200 20.887 -13.087 1.00 0.00 H new ATOM 0 HB2 GLU A 21 11.943 18.174 -12.924 1.00 0.00 H new ATOM 0 HB3 GLU A 21 13.654 18.230 -13.298 1.00 0.00 H new ATOM 0 HG2 GLU A 21 12.363 19.553 -10.886 1.00 0.00 H new ATOM 0 HG3 GLU A 21 13.170 17.998 -10.862 1.00 0.00 H new ATOM 281 N ARG A 22 12.496 19.093 -15.785 1.00 0.00 N ATOM 282 CA ARG A 22 12.883 18.867 -17.172 1.00 0.00 C ATOM 283 C ARG A 22 12.000 19.672 -18.121 1.00 0.00 C ATOM 284 O ARG A 22 12.477 20.559 -18.827 1.00 0.00 O ATOM 285 CB ARG A 22 12.793 17.379 -17.513 1.00 0.00 C ATOM 286 CG ARG A 22 14.092 16.623 -17.289 1.00 0.00 C ATOM 287 CD ARG A 22 15.008 16.718 -18.499 1.00 0.00 C ATOM 288 NE ARG A 22 14.577 15.838 -19.582 1.00 0.00 N ATOM 289 CZ ARG A 22 14.700 16.143 -20.869 1.00 0.00 C ATOM 290 NH1 ARG A 22 15.238 17.299 -21.232 1.00 0.00 N ATOM 291 NH2 ARG A 22 14.285 15.290 -21.797 1.00 0.00 N ATOM 0 H ARG A 22 11.702 18.534 -15.472 1.00 0.00 H new ATOM 0 HA ARG A 22 13.914 19.199 -17.294 1.00 0.00 H new ATOM 0 HB2 ARG A 22 12.009 16.923 -16.909 1.00 0.00 H new ATOM 0 HB3 ARG A 22 12.495 17.271 -18.556 1.00 0.00 H new ATOM 0 HG2 ARG A 22 14.602 17.025 -16.413 1.00 0.00 H new ATOM 0 HG3 ARG A 22 13.873 15.576 -17.078 1.00 0.00 H new ATOM 0 HD2 ARG A 22 15.031 17.748 -18.856 1.00 0.00 H new ATOM 0 HD3 ARG A 22 16.025 16.459 -18.205 1.00 0.00 H new ATOM 0 HE ARG A 22 14.159 14.941 -19.337 1.00 0.00 H new ATOM 0 HH11 ARG A 22 15.559 17.957 -20.522 1.00 0.00 H new ATOM 0 HH12 ARG A 22 15.331 17.530 -22.221 1.00 0.00 H new ATOM 0 HH21 ARG A 22 13.871 14.399 -21.522 1.00 0.00 H new ATOM 0 HH22 ARG A 22 14.380 15.525 -22.785 1.00 0.00 H new ATOM 305 N GLY A 23 10.709 19.354 -18.132 1.00 0.00 N ATOM 306 CA GLY A 23 9.779 20.056 -18.998 1.00 0.00 C ATOM 307 C GLY A 23 8.367 19.517 -18.892 1.00 0.00 C ATOM 308 O GLY A 23 7.415 20.279 -18.730 1.00 0.00 O ATOM 0 H GLY A 23 10.290 18.623 -17.557 1.00 0.00 H new ATOM 0 HA2 GLY A 23 9.780 21.116 -18.743 1.00 0.00 H new ATOM 0 HA3 GLY A 23 10.118 19.976 -20.031 1.00 0.00 H new ATOM 312 N GLU A 24 8.231 18.197 -18.985 1.00 0.00 N ATOM 313 CA GLU A 24 6.923 17.558 -18.901 1.00 0.00 C ATOM 314 C GLU A 24 7.048 16.132 -18.372 1.00 0.00 C ATOM 315 O GLU A 24 8.134 15.551 -18.372 1.00 0.00 O ATOM 316 CB GLU A 24 6.247 17.547 -20.274 1.00 0.00 C ATOM 317 CG GLU A 24 6.933 16.642 -21.283 1.00 0.00 C ATOM 318 CD GLU A 24 6.734 17.106 -22.713 1.00 0.00 C ATOM 319 OE1 GLU A 24 6.495 18.315 -22.915 1.00 0.00 O ATOM 320 OE2 GLU A 24 6.816 16.262 -23.629 1.00 0.00 O ATOM 0 H GLU A 24 9.009 17.551 -19.118 1.00 0.00 H new ATOM 0 HA GLU A 24 6.310 18.133 -18.207 1.00 0.00 H new ATOM 0 HB2 GLU A 24 5.211 17.227 -20.157 1.00 0.00 H new ATOM 0 HB3 GLU A 24 6.225 18.564 -20.667 1.00 0.00 H new ATOM 0 HG2 GLU A 24 8.000 16.602 -21.063 1.00 0.00 H new ATOM 0 HG3 GLU A 24 6.547 15.628 -21.177 1.00 0.00 H new ATOM 327 N ALA A 25 5.929 15.573 -17.922 1.00 0.00 N ATOM 328 CA ALA A 25 5.912 14.216 -17.392 1.00 0.00 C ATOM 329 C ALA A 25 5.052 13.300 -18.256 1.00 0.00 C ATOM 330 O ALA A 25 3.851 13.158 -18.022 1.00 0.00 O ATOM 331 CB ALA A 25 5.410 14.216 -15.956 1.00 0.00 C ATOM 0 H ALA A 25 5.022 16.040 -17.914 1.00 0.00 H new ATOM 0 HA ALA A 25 6.933 13.833 -17.408 1.00 0.00 H new ATOM 0 HB1 ALA A 25 5.403 13.195 -15.573 1.00 0.00 H new ATOM 0 HB2 ALA A 25 6.068 14.830 -15.341 1.00 0.00 H new ATOM 0 HB3 ALA A 25 4.399 14.623 -15.924 1.00 0.00 H new ATOM 337 N VAL A 26 5.673 12.680 -19.254 1.00 0.00 N ATOM 338 CA VAL A 26 4.963 11.777 -20.153 1.00 0.00 C ATOM 339 C VAL A 26 4.429 10.563 -19.402 1.00 0.00 C ATOM 340 O VAL A 26 4.830 10.293 -18.270 1.00 0.00 O ATOM 341 CB VAL A 26 5.872 11.299 -21.301 1.00 0.00 C ATOM 342 CG1 VAL A 26 6.464 12.487 -22.044 1.00 0.00 C ATOM 343 CG2 VAL A 26 6.971 10.392 -20.767 1.00 0.00 C ATOM 0 H VAL A 26 6.666 12.786 -19.461 1.00 0.00 H new ATOM 0 HA VAL A 26 4.127 12.338 -20.571 1.00 0.00 H new ATOM 0 HB VAL A 26 5.269 10.726 -22.005 1.00 0.00 H new ATOM 0 HG11 VAL A 26 7.103 12.129 -22.851 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.660 13.094 -22.460 1.00 0.00 H new ATOM 0 HG13 VAL A 26 7.054 13.090 -21.354 1.00 0.00 H new ATOM 0 HG21 VAL A 26 7.604 10.063 -21.591 1.00 0.00 H new ATOM 0 HG22 VAL A 26 7.574 10.939 -20.042 1.00 0.00 H new ATOM 0 HG23 VAL A 26 6.523 9.523 -20.285 1.00 0.00 H new ATOM 353 N CYS A 27 3.521 9.832 -20.041 1.00 0.00 N ATOM 354 CA CYS A 27 2.930 8.645 -19.434 1.00 0.00 C ATOM 355 C CYS A 27 4.010 7.735 -18.856 1.00 0.00 C ATOM 356 O CYS A 27 4.886 7.240 -19.567 1.00 0.00 O ATOM 357 CB CYS A 27 2.101 7.879 -20.467 1.00 0.00 C ATOM 358 SG CYS A 27 1.006 6.612 -19.748 1.00 0.00 S ATOM 0 H CYS A 27 3.179 10.041 -20.979 1.00 0.00 H new ATOM 0 HA CYS A 27 2.279 8.968 -18.622 1.00 0.00 H new ATOM 0 HB2 CYS A 27 1.496 8.589 -21.031 1.00 0.00 H new ATOM 0 HB3 CYS A 27 2.776 7.401 -21.177 1.00 0.00 H new ATOM 0 HG CYS A 27 0.862 5.634 -20.592 1.00 0.00 H new ATOM 363 N PRO A 28 3.948 7.507 -17.536 1.00 0.00 N ATOM 364 CA PRO A 28 4.911 6.655 -16.833 1.00 0.00 C ATOM 365 C PRO A 28 4.754 5.182 -17.194 1.00 0.00 C ATOM 366 O PRO A 28 5.376 4.312 -16.583 1.00 0.00 O ATOM 367 CB PRO A 28 4.576 6.883 -15.357 1.00 0.00 C ATOM 368 CG PRO A 28 3.144 7.295 -15.353 1.00 0.00 C ATOM 369 CD PRO A 28 2.931 8.064 -16.628 1.00 0.00 C ATOM 0 HA PRO A 28 5.940 6.903 -17.093 1.00 0.00 H new ATOM 0 HB2 PRO A 28 4.729 5.976 -14.772 1.00 0.00 H new ATOM 0 HB3 PRO A 28 5.211 7.654 -14.921 1.00 0.00 H new ATOM 0 HG2 PRO A 28 2.488 6.426 -15.307 1.00 0.00 H new ATOM 0 HG3 PRO A 28 2.918 7.911 -14.483 1.00 0.00 H new ATOM 0 HD2 PRO A 28 1.923 7.923 -17.019 1.00 0.00 H new ATOM 0 HD3 PRO A 28 3.068 9.135 -16.479 1.00 0.00 H new ATOM 377 N THR A 29 3.918 4.907 -18.190 1.00 0.00 N ATOM 378 CA THR A 29 3.678 3.539 -18.632 1.00 0.00 C ATOM 379 C THR A 29 4.235 3.308 -20.032 1.00 0.00 C ATOM 380 O THR A 29 5.167 2.525 -20.218 1.00 0.00 O ATOM 381 CB THR A 29 2.174 3.203 -18.628 1.00 0.00 C ATOM 382 OG1 THR A 29 1.659 3.280 -17.294 1.00 0.00 O ATOM 383 CG2 THR A 29 1.929 1.812 -19.193 1.00 0.00 C ATOM 0 H THR A 29 3.395 5.614 -18.706 1.00 0.00 H new ATOM 0 HA THR A 29 4.191 2.884 -17.927 1.00 0.00 H new ATOM 0 HB THR A 29 1.660 3.929 -19.258 1.00 0.00 H new ATOM 0 HG1 THR A 29 0.703 3.067 -17.300 1.00 0.00 H new ATOM 0 HG21 THR A 29 0.860 1.597 -19.180 1.00 0.00 H new ATOM 0 HG22 THR A 29 2.296 1.766 -20.218 1.00 0.00 H new ATOM 0 HG23 THR A 29 2.455 1.075 -18.586 1.00 0.00 H new ATOM 391 N CYS A 30 3.659 3.993 -21.014 1.00 0.00 N ATOM 392 CA CYS A 30 4.098 3.862 -22.398 1.00 0.00 C ATOM 393 C CYS A 30 4.931 5.069 -22.820 1.00 0.00 C ATOM 394 O CYS A 30 5.675 5.010 -23.798 1.00 0.00 O ATOM 395 CB CYS A 30 2.890 3.712 -23.326 1.00 0.00 C ATOM 396 SG CYS A 30 1.437 4.688 -22.819 1.00 0.00 S ATOM 0 H CYS A 30 2.887 4.645 -20.877 1.00 0.00 H new ATOM 0 HA CYS A 30 4.719 2.969 -22.474 1.00 0.00 H new ATOM 0 HB2 CYS A 30 3.180 4.009 -24.334 1.00 0.00 H new ATOM 0 HB3 CYS A 30 2.609 2.660 -23.372 1.00 0.00 H new ATOM 0 HG CYS A 30 0.737 4.009 -21.959 1.00 0.00 H new ATOM 401 N ASN A 31 4.800 6.162 -22.075 1.00 0.00 N ATOM 402 CA ASN A 31 5.541 7.382 -22.372 1.00 0.00 C ATOM 403 C ASN A 31 5.024 8.034 -23.651 1.00 0.00 C ATOM 404 O ASN A 31 5.801 8.555 -24.452 1.00 0.00 O ATOM 405 CB ASN A 31 7.034 7.078 -22.508 1.00 0.00 C ATOM 406 CG ASN A 31 7.559 6.238 -21.360 1.00 0.00 C ATOM 407 OD1 ASN A 31 7.415 6.602 -20.193 1.00 0.00 O ATOM 408 ND2 ASN A 31 8.174 5.107 -21.688 1.00 0.00 N ATOM 0 H ASN A 31 4.188 6.228 -21.262 1.00 0.00 H new ATOM 0 HA ASN A 31 5.394 8.077 -21.545 1.00 0.00 H new ATOM 0 HB2 ASN A 31 7.212 6.556 -23.448 1.00 0.00 H new ATOM 0 HB3 ASN A 31 7.590 8.014 -22.554 1.00 0.00 H new ATOM 0 HD21 ASN A 31 8.550 4.501 -20.959 1.00 0.00 H new ATOM 0 HD22 ASN A 31 8.271 4.845 -22.669 1.00 0.00 H new ATOM 415 N VAL A 32 3.709 8.000 -23.837 1.00 0.00 N ATOM 416 CA VAL A 32 3.088 8.589 -25.018 1.00 0.00 C ATOM 417 C VAL A 32 1.751 9.235 -24.671 1.00 0.00 C ATOM 418 O VAL A 32 0.770 8.545 -24.393 1.00 0.00 O ATOM 419 CB VAL A 32 2.867 7.536 -26.119 1.00 0.00 C ATOM 420 CG1 VAL A 32 4.199 7.055 -26.674 1.00 0.00 C ATOM 421 CG2 VAL A 32 2.050 6.369 -25.584 1.00 0.00 C ATOM 0 H VAL A 32 3.052 7.571 -23.185 1.00 0.00 H new ATOM 0 HA VAL A 32 3.772 9.353 -25.388 1.00 0.00 H new ATOM 0 HB VAL A 32 2.308 7.999 -26.932 1.00 0.00 H new ATOM 0 HG11 VAL A 32 4.022 6.311 -27.451 1.00 0.00 H new ATOM 0 HG12 VAL A 32 4.743 7.899 -27.097 1.00 0.00 H new ATOM 0 HG13 VAL A 32 4.788 6.609 -25.872 1.00 0.00 H new ATOM 0 HG21 VAL A 32 1.903 5.634 -26.376 1.00 0.00 H new ATOM 0 HG22 VAL A 32 2.580 5.905 -24.752 1.00 0.00 H new ATOM 0 HG23 VAL A 32 1.081 6.731 -25.241 1.00 0.00 H new ATOM 431 N VAL A 33 1.718 10.563 -24.692 1.00 0.00 N ATOM 432 CA VAL A 33 0.501 11.303 -24.382 1.00 0.00 C ATOM 433 C VAL A 33 0.610 12.755 -24.833 1.00 0.00 C ATOM 434 O VAL A 33 1.600 13.153 -25.449 1.00 0.00 O ATOM 435 CB VAL A 33 0.192 11.268 -22.873 1.00 0.00 C ATOM 436 CG1 VAL A 33 -0.788 10.149 -22.555 1.00 0.00 C ATOM 437 CG2 VAL A 33 1.474 11.110 -22.070 1.00 0.00 C ATOM 0 H VAL A 33 2.521 11.149 -24.921 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.311 10.817 -24.924 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.270 12.214 -22.592 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.995 10.139 -21.485 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.716 10.312 -23.102 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.356 9.193 -22.850 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.237 11.087 -21.006 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.967 10.180 -22.352 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.138 11.950 -22.276 1.00 0.00 H new ATOM 447 N THR A 34 -0.413 13.545 -24.523 1.00 0.00 N ATOM 448 CA THR A 34 -0.433 14.953 -24.897 1.00 0.00 C ATOM 449 C THR A 34 0.953 15.574 -24.774 1.00 0.00 C ATOM 450 O THR A 34 1.796 15.090 -24.019 1.00 0.00 O ATOM 451 CB THR A 34 -1.421 15.752 -24.026 1.00 0.00 C ATOM 452 OG1 THR A 34 -2.676 15.066 -23.954 1.00 0.00 O ATOM 453 CG2 THR A 34 -1.632 17.149 -24.590 1.00 0.00 C ATOM 0 H THR A 34 -1.239 13.233 -24.013 1.00 0.00 H new ATOM 0 HA THR A 34 -0.758 14.999 -25.936 1.00 0.00 H new ATOM 0 HB THR A 34 -0.999 15.842 -23.025 1.00 0.00 H new ATOM 0 HG1 THR A 34 -3.355 15.665 -23.579 1.00 0.00 H new ATOM 0 HG21 THR A 34 -2.333 17.694 -23.958 1.00 0.00 H new ATOM 0 HG22 THR A 34 -0.680 17.679 -24.616 1.00 0.00 H new ATOM 0 HG23 THR A 34 -2.034 17.077 -25.600 1.00 0.00 H new ATOM 461 N ARG A 35 1.183 16.650 -25.520 1.00 0.00 N ATOM 462 CA ARG A 35 2.468 17.337 -25.494 1.00 0.00 C ATOM 463 C ARG A 35 2.792 17.833 -24.087 1.00 0.00 C ATOM 464 O ARG A 35 3.937 17.762 -23.640 1.00 0.00 O ATOM 465 CB ARG A 35 2.461 18.514 -26.471 1.00 0.00 C ATOM 466 CG ARG A 35 1.399 19.557 -26.162 1.00 0.00 C ATOM 467 CD ARG A 35 1.672 20.863 -26.892 1.00 0.00 C ATOM 468 NE ARG A 35 1.403 20.756 -28.324 1.00 0.00 N ATOM 469 CZ ARG A 35 1.991 21.516 -29.240 1.00 0.00 C ATOM 470 NH1 ARG A 35 2.876 22.435 -28.877 1.00 0.00 N ATOM 471 NH2 ARG A 35 1.695 21.359 -30.524 1.00 0.00 N ATOM 0 H ARG A 35 0.496 17.064 -26.150 1.00 0.00 H new ATOM 0 HA ARG A 35 3.237 16.626 -25.796 1.00 0.00 H new ATOM 0 HB2 ARG A 35 3.441 18.991 -26.459 1.00 0.00 H new ATOM 0 HB3 ARG A 35 2.303 18.136 -27.481 1.00 0.00 H new ATOM 0 HG2 ARG A 35 0.419 19.176 -26.449 1.00 0.00 H new ATOM 0 HG3 ARG A 35 1.368 19.739 -25.088 1.00 0.00 H new ATOM 0 HD2 ARG A 35 1.054 21.653 -26.465 1.00 0.00 H new ATOM 0 HD3 ARG A 35 2.711 21.153 -26.739 1.00 0.00 H new ATOM 0 HE ARG A 35 0.727 20.060 -28.637 1.00 0.00 H new ATOM 0 HH11 ARG A 35 3.107 22.560 -27.891 1.00 0.00 H new ATOM 0 HH12 ARG A 35 3.326 23.017 -29.584 1.00 0.00 H new ATOM 0 HH21 ARG A 35 1.015 20.654 -30.808 1.00 0.00 H new ATOM 0 HH22 ARG A 35 2.147 21.944 -31.227 1.00 0.00 H new ATOM 485 N LYS A 36 1.775 18.335 -23.394 1.00 0.00 N ATOM 486 CA LYS A 36 1.949 18.842 -22.038 1.00 0.00 C ATOM 487 C LYS A 36 1.886 17.707 -21.021 1.00 0.00 C ATOM 488 O LYS A 36 2.287 17.869 -19.868 1.00 0.00 O ATOM 489 CB LYS A 36 0.877 19.887 -21.721 1.00 0.00 C ATOM 490 CG LYS A 36 1.217 21.279 -22.222 1.00 0.00 C ATOM 491 CD LYS A 36 0.178 22.298 -21.786 1.00 0.00 C ATOM 492 CE LYS A 36 0.388 22.723 -20.340 1.00 0.00 C ATOM 493 NZ LYS A 36 -0.550 23.808 -19.940 1.00 0.00 N ATOM 0 H LYS A 36 0.821 18.401 -23.750 1.00 0.00 H new ATOM 0 HA LYS A 36 2.932 19.309 -21.974 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -0.068 19.572 -22.164 1.00 0.00 H new ATOM 0 HB3 LYS A 36 0.727 19.925 -20.642 1.00 0.00 H new ATOM 0 HG2 LYS A 36 2.197 21.573 -21.845 1.00 0.00 H new ATOM 0 HG3 LYS A 36 1.284 21.269 -23.310 1.00 0.00 H new ATOM 0 HD2 LYS A 36 0.230 23.172 -22.435 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -0.820 21.874 -21.901 1.00 0.00 H new ATOM 0 HE2 LYS A 36 0.249 21.863 -19.685 1.00 0.00 H new ATOM 0 HE3 LYS A 36 1.415 23.063 -20.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -0.376 24.070 -18.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -0.401 24.638 -20.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -1.530 23.475 -20.043 1.00 0.00 H new ATOM 507 N THR A 37 1.380 16.557 -21.455 1.00 0.00 N ATOM 508 CA THR A 37 1.264 15.395 -20.582 1.00 0.00 C ATOM 509 C THR A 37 0.672 15.779 -19.231 1.00 0.00 C ATOM 510 O THR A 37 1.075 15.252 -18.193 1.00 0.00 O ATOM 511 CB THR A 37 2.632 14.722 -20.358 1.00 0.00 C ATOM 512 OG1 THR A 37 3.372 15.438 -19.363 1.00 0.00 O ATOM 513 CG2 THR A 37 3.429 14.673 -21.653 1.00 0.00 C ATOM 0 H THR A 37 1.044 16.405 -22.406 1.00 0.00 H new ATOM 0 HA THR A 37 0.598 14.691 -21.080 1.00 0.00 H new ATOM 0 HB THR A 37 2.459 13.701 -20.018 1.00 0.00 H new ATOM 0 HG1 THR A 37 3.104 16.381 -19.372 1.00 0.00 H new ATOM 0 HG21 THR A 37 4.391 14.194 -21.470 1.00 0.00 H new ATOM 0 HG22 THR A 37 2.876 14.103 -22.399 1.00 0.00 H new ATOM 0 HG23 THR A 37 3.592 15.687 -22.018 1.00 0.00 H new ATOM 521 N LEU A 38 -0.286 16.699 -19.251 1.00 0.00 N ATOM 522 CA LEU A 38 -0.935 17.154 -18.026 1.00 0.00 C ATOM 523 C LEU A 38 -2.392 16.705 -17.983 1.00 0.00 C ATOM 524 O LEU A 38 -2.773 15.877 -17.155 1.00 0.00 O ATOM 525 CB LEU A 38 -0.855 18.678 -17.918 1.00 0.00 C ATOM 526 CG LEU A 38 -0.710 19.244 -16.505 1.00 0.00 C ATOM 527 CD1 LEU A 38 -1.708 18.590 -15.563 1.00 0.00 C ATOM 528 CD2 LEU A 38 0.711 19.052 -15.997 1.00 0.00 C ATOM 0 H LEU A 38 -0.631 17.144 -20.101 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.412 16.709 -17.180 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -0.009 19.020 -18.514 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -1.753 19.102 -18.367 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.921 20.313 -16.539 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.590 19.005 -14.562 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -2.721 18.780 -15.917 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -1.530 17.515 -15.533 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.796 19.461 -14.990 1.00 0.00 H new ATOM 0 HD22 LEU A 38 0.950 17.989 -15.978 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.407 19.569 -16.658 1.00 0.00 H new ATOM 540 N VAL A 39 -3.202 17.255 -18.882 1.00 0.00 N ATOM 541 CA VAL A 39 -4.617 16.909 -18.949 1.00 0.00 C ATOM 542 C VAL A 39 -4.816 15.526 -19.559 1.00 0.00 C ATOM 543 O VAL A 39 -5.602 14.722 -19.058 1.00 0.00 O ATOM 544 CB VAL A 39 -5.408 17.940 -19.774 1.00 0.00 C ATOM 545 CG1 VAL A 39 -5.313 19.319 -19.139 1.00 0.00 C ATOM 546 CG2 VAL A 39 -4.908 17.970 -21.210 1.00 0.00 C ATOM 0 H VAL A 39 -2.903 17.942 -19.574 1.00 0.00 H new ATOM 0 HA VAL A 39 -4.992 16.909 -17.925 1.00 0.00 H new ATOM 0 HB VAL A 39 -6.457 17.643 -19.785 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -5.878 20.034 -19.736 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -5.724 19.284 -18.130 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -4.269 19.628 -19.095 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -5.478 18.704 -21.779 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -3.853 18.242 -21.222 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -5.034 16.985 -21.660 1.00 0.00 H new ATOM 556 N GLY A 40 -4.097 15.254 -20.644 1.00 0.00 N ATOM 557 CA GLY A 40 -4.208 13.967 -21.305 1.00 0.00 C ATOM 558 C GLY A 40 -3.425 12.881 -20.594 1.00 0.00 C ATOM 559 O GLY A 40 -3.184 11.811 -21.155 1.00 0.00 O ATOM 0 H GLY A 40 -3.439 15.902 -21.077 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -5.258 13.678 -21.358 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -3.850 14.057 -22.331 1.00 0.00 H new ATOM 563 N LEU A 41 -3.026 13.155 -19.357 1.00 0.00 N ATOM 564 CA LEU A 41 -2.263 12.193 -18.569 1.00 0.00 C ATOM 565 C LEU A 41 -3.180 11.397 -17.645 1.00 0.00 C ATOM 566 O LEU A 41 -2.929 10.226 -17.361 1.00 0.00 O ATOM 567 CB LEU A 41 -1.192 12.912 -17.747 1.00 0.00 C ATOM 568 CG LEU A 41 -0.333 12.027 -16.843 1.00 0.00 C ATOM 569 CD1 LEU A 41 0.536 11.097 -17.676 1.00 0.00 C ATOM 570 CD2 LEU A 41 0.527 12.881 -15.922 1.00 0.00 C ATOM 0 H LEU A 41 -3.218 14.035 -18.878 1.00 0.00 H new ATOM 0 HA LEU A 41 -1.779 11.499 -19.257 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.533 13.445 -18.433 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.682 13.663 -17.127 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.995 11.418 -16.228 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.140 10.475 -17.016 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -0.099 10.461 -18.293 1.00 0.00 H new ATOM 0 HD13 LEU A 41 1.190 11.688 -18.317 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.132 12.235 -15.286 1.00 0.00 H new ATOM 0 HD22 LEU A 41 1.181 13.516 -16.520 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -0.115 13.505 -15.300 1.00 0.00 H new ATOM 582 N LYS A 42 -4.246 12.040 -17.181 1.00 0.00 N ATOM 583 CA LYS A 42 -5.204 11.393 -16.292 1.00 0.00 C ATOM 584 C LYS A 42 -6.288 10.676 -17.090 1.00 0.00 C ATOM 585 O LYS A 42 -6.711 9.576 -16.734 1.00 0.00 O ATOM 586 CB LYS A 42 -5.841 12.424 -15.358 1.00 0.00 C ATOM 587 CG LYS A 42 -4.844 13.114 -14.443 1.00 0.00 C ATOM 588 CD LYS A 42 -4.337 14.413 -15.049 1.00 0.00 C ATOM 589 CE LYS A 42 -5.399 15.501 -15.001 1.00 0.00 C ATOM 590 NZ LYS A 42 -5.490 16.128 -13.654 1.00 0.00 N ATOM 0 H LYS A 42 -4.469 13.010 -17.406 1.00 0.00 H new ATOM 0 HA LYS A 42 -4.668 10.655 -15.696 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -6.353 13.177 -15.957 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -6.599 11.931 -14.749 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -5.313 13.319 -13.481 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -4.003 12.448 -14.252 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -3.449 14.745 -14.510 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -4.037 14.241 -16.083 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -5.169 16.266 -15.743 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -6.366 15.077 -15.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -6.225 16.864 -13.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -5.734 15.403 -12.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -4.575 16.556 -13.408 1.00 0.00 H new ATOM 604 N LYS A 43 -6.734 11.305 -18.172 1.00 0.00 N ATOM 605 CA LYS A 43 -7.767 10.727 -19.023 1.00 0.00 C ATOM 606 C LYS A 43 -7.191 9.621 -19.902 1.00 0.00 C ATOM 607 O LYS A 43 -7.933 8.857 -20.520 1.00 0.00 O ATOM 608 CB LYS A 43 -8.401 11.810 -19.898 1.00 0.00 C ATOM 609 CG LYS A 43 -9.035 12.939 -19.105 1.00 0.00 C ATOM 610 CD LYS A 43 -9.460 14.086 -20.007 1.00 0.00 C ATOM 611 CE LYS A 43 -8.265 14.914 -20.455 1.00 0.00 C ATOM 612 NZ LYS A 43 -8.677 16.069 -21.301 1.00 0.00 N ATOM 0 H LYS A 43 -6.396 12.216 -18.481 1.00 0.00 H new ATOM 0 HA LYS A 43 -8.533 10.294 -18.379 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -7.639 12.224 -20.558 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -9.159 11.354 -20.534 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -9.902 12.561 -18.563 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -8.327 13.304 -18.361 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -9.978 13.691 -20.881 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -10.168 14.724 -19.478 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -7.727 15.278 -19.580 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -7.574 14.282 -21.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -7.835 16.608 -21.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -9.168 15.721 -22.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -9.316 16.685 -20.759 1.00 0.00 H new ATOM 626 N HIS A 44 -5.866 9.540 -19.952 1.00 0.00 N ATOM 627 CA HIS A 44 -5.191 8.525 -20.754 1.00 0.00 C ATOM 628 C HIS A 44 -4.853 7.301 -19.909 1.00 0.00 C ATOM 629 O HIS A 44 -5.044 6.165 -20.341 1.00 0.00 O ATOM 630 CB HIS A 44 -3.917 9.099 -21.374 1.00 0.00 C ATOM 631 CG HIS A 44 -2.988 8.053 -21.910 1.00 0.00 C ATOM 632 ND1 HIS A 44 -2.820 7.816 -23.258 1.00 0.00 N ATOM 633 CD2 HIS A 44 -2.174 7.181 -21.271 1.00 0.00 C ATOM 634 CE1 HIS A 44 -1.943 6.841 -23.425 1.00 0.00 C ATOM 635 NE2 HIS A 44 -1.535 6.439 -22.234 1.00 0.00 N ATOM 0 H HIS A 44 -5.238 10.165 -19.447 1.00 0.00 H new ATOM 0 HA HIS A 44 -5.868 8.218 -21.551 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -4.190 9.779 -22.181 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -3.392 9.690 -20.624 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -2.050 7.086 -20.202 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -1.616 6.441 -24.373 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -0.856 5.698 -22.059 1.00 0.00 H new ATOM 643 N MET A 45 -4.349 7.542 -18.703 1.00 0.00 N ATOM 644 CA MET A 45 -3.985 6.458 -17.797 1.00 0.00 C ATOM 645 C MET A 45 -5.200 5.599 -17.461 1.00 0.00 C ATOM 646 O MET A 45 -5.089 4.382 -17.315 1.00 0.00 O ATOM 647 CB MET A 45 -3.373 7.022 -16.513 1.00 0.00 C ATOM 648 CG MET A 45 -4.367 7.781 -15.649 1.00 0.00 C ATOM 649 SD MET A 45 -3.716 8.156 -14.009 1.00 0.00 S ATOM 650 CE MET A 45 -2.457 9.364 -14.412 1.00 0.00 C ATOM 0 H MET A 45 -4.183 8.477 -18.331 1.00 0.00 H new ATOM 0 HA MET A 45 -3.247 5.831 -18.298 1.00 0.00 H new ATOM 0 HB2 MET A 45 -2.950 6.203 -15.932 1.00 0.00 H new ATOM 0 HB3 MET A 45 -2.549 7.686 -16.774 1.00 0.00 H new ATOM 0 HG2 MET A 45 -4.641 8.710 -16.148 1.00 0.00 H new ATOM 0 HG3 MET A 45 -5.279 7.192 -15.548 1.00 0.00 H new ATOM 0 HE1 MET A 45 -1.602 9.234 -13.748 1.00 0.00 H new ATOM 0 HE2 MET A 45 -2.138 9.226 -15.445 1.00 0.00 H new ATOM 0 HE3 MET A 45 -2.863 10.368 -14.288 1.00 0.00 H new ATOM 660 N GLU A 46 -6.358 6.241 -17.338 1.00 0.00 N ATOM 661 CA GLU A 46 -7.592 5.535 -17.018 1.00 0.00 C ATOM 662 C GLU A 46 -7.750 4.292 -17.889 1.00 0.00 C ATOM 663 O GLU A 46 -8.041 3.204 -17.392 1.00 0.00 O ATOM 664 CB GLU A 46 -8.798 6.458 -17.204 1.00 0.00 C ATOM 665 CG GLU A 46 -8.773 7.236 -18.509 1.00 0.00 C ATOM 666 CD GLU A 46 -9.887 8.260 -18.600 1.00 0.00 C ATOM 667 OE1 GLU A 46 -10.114 8.979 -17.604 1.00 0.00 O ATOM 668 OE2 GLU A 46 -10.533 8.342 -19.665 1.00 0.00 O ATOM 0 H GLU A 46 -6.466 7.248 -17.455 1.00 0.00 H new ATOM 0 HA GLU A 46 -7.541 5.223 -15.975 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -9.710 5.863 -17.163 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -8.839 7.161 -16.372 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -7.812 7.741 -18.608 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -8.855 6.540 -19.344 1.00 0.00 H new ATOM 675 N VAL A 47 -7.556 4.463 -19.193 1.00 0.00 N ATOM 676 CA VAL A 47 -7.676 3.356 -20.135 1.00 0.00 C ATOM 677 C VAL A 47 -6.329 2.679 -20.362 1.00 0.00 C ATOM 678 O VAL A 47 -6.259 1.471 -20.590 1.00 0.00 O ATOM 679 CB VAL A 47 -8.234 3.831 -21.490 1.00 0.00 C ATOM 680 CG1 VAL A 47 -9.621 4.430 -21.316 1.00 0.00 C ATOM 681 CG2 VAL A 47 -7.288 4.833 -22.134 1.00 0.00 C ATOM 0 H VAL A 47 -7.315 5.357 -19.621 1.00 0.00 H new ATOM 0 HA VAL A 47 -8.370 2.640 -19.695 1.00 0.00 H new ATOM 0 HB VAL A 47 -8.318 2.969 -22.151 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -9.999 4.760 -22.284 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -10.293 3.678 -20.901 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -9.567 5.282 -20.638 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -7.698 5.158 -23.090 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -7.170 5.695 -21.478 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -6.317 4.365 -22.296 1.00 0.00 H new ATOM 691 N CYS A 48 -5.260 3.465 -20.297 1.00 0.00 N ATOM 692 CA CYS A 48 -3.913 2.943 -20.495 1.00 0.00 C ATOM 693 C CYS A 48 -3.758 1.575 -19.837 1.00 0.00 C ATOM 694 O CYS A 48 -3.449 0.587 -20.502 1.00 0.00 O ATOM 695 CB CYS A 48 -2.878 3.915 -19.927 1.00 0.00 C ATOM 696 SG CYS A 48 -1.154 3.489 -20.335 1.00 0.00 S ATOM 0 H CYS A 48 -5.300 4.467 -20.109 1.00 0.00 H new ATOM 0 HA CYS A 48 -3.747 2.832 -21.567 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -3.092 4.916 -20.301 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -2.985 3.950 -18.843 1.00 0.00 H new ATOM 0 HG CYS A 48 -0.484 3.296 -19.238 1.00 0.00 H new ATOM 701 N GLN A 49 -3.975 1.528 -18.526 1.00 0.00 N ATOM 702 CA GLN A 49 -3.858 0.282 -17.778 1.00 0.00 C ATOM 703 C GLN A 49 -4.476 -0.878 -18.552 1.00 0.00 C ATOM 704 O GLN A 49 -3.882 -1.951 -18.663 1.00 0.00 O ATOM 705 CB GLN A 49 -4.535 0.417 -16.413 1.00 0.00 C ATOM 706 CG GLN A 49 -3.899 1.469 -15.520 1.00 0.00 C ATOM 707 CD GLN A 49 -4.761 1.817 -14.322 1.00 0.00 C ATOM 708 OE1 GLN A 49 -5.456 0.961 -13.773 1.00 0.00 O ATOM 709 NE2 GLN A 49 -4.722 3.079 -13.910 1.00 0.00 N ATOM 0 H GLN A 49 -4.232 2.337 -17.961 1.00 0.00 H new ATOM 0 HA GLN A 49 -2.798 0.074 -17.632 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -5.586 0.665 -16.561 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -4.504 -0.547 -15.904 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -2.931 1.108 -15.173 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -3.713 2.371 -16.103 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -4.132 3.756 -14.394 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -5.282 3.372 -13.109 1.00 0.00 H new ATOM 718 N LYS A 50 -5.672 -0.656 -19.087 1.00 0.00 N ATOM 719 CA LYS A 50 -6.371 -1.681 -19.852 1.00 0.00 C ATOM 720 C LYS A 50 -5.570 -2.078 -21.089 1.00 0.00 C ATOM 721 O LYS A 50 -5.408 -3.263 -21.382 1.00 0.00 O ATOM 722 CB LYS A 50 -7.756 -1.182 -20.267 1.00 0.00 C ATOM 723 CG LYS A 50 -8.714 -1.007 -19.101 1.00 0.00 C ATOM 724 CD LYS A 50 -9.779 0.033 -19.405 1.00 0.00 C ATOM 725 CE LYS A 50 -10.479 0.501 -18.138 1.00 0.00 C ATOM 726 NZ LYS A 50 -11.579 -0.420 -17.740 1.00 0.00 N ATOM 0 H LYS A 50 -6.178 0.226 -19.004 1.00 0.00 H new ATOM 0 HA LYS A 50 -6.484 -2.559 -19.216 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -7.649 -0.229 -20.785 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -8.188 -1.885 -20.979 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -9.190 -1.961 -18.874 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -8.157 -0.709 -18.213 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -9.323 0.887 -19.906 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -10.513 -0.386 -20.094 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -9.754 0.572 -17.327 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -10.882 1.502 -18.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -12.031 -0.067 -16.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -12.284 -0.469 -18.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -11.191 -1.369 -17.566 1.00 0.00 H new ATOM 740 N LEU A 51 -5.071 -1.080 -21.809 1.00 0.00 N ATOM 741 CA LEU A 51 -4.286 -1.324 -23.014 1.00 0.00 C ATOM 742 C LEU A 51 -2.954 -1.985 -22.671 1.00 0.00 C ATOM 743 O LEU A 51 -2.717 -3.141 -23.021 1.00 0.00 O ATOM 744 CB LEU A 51 -4.039 -0.012 -23.761 1.00 0.00 C ATOM 745 CG LEU A 51 -5.088 0.374 -24.804 1.00 0.00 C ATOM 746 CD1 LEU A 51 -4.771 1.736 -25.402 1.00 0.00 C ATOM 747 CD2 LEU A 51 -5.169 -0.684 -25.896 1.00 0.00 C ATOM 0 H LEU A 51 -5.196 -0.094 -21.580 1.00 0.00 H new ATOM 0 HA LEU A 51 -4.852 -1.999 -23.656 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.971 0.792 -23.029 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -3.070 -0.076 -24.256 1.00 0.00 H new ATOM 0 HG LEU A 51 -6.058 0.434 -24.310 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -5.529 1.994 -26.142 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -4.765 2.487 -24.612 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.792 1.704 -25.881 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -5.921 -0.393 -26.630 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -4.200 -0.776 -26.386 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -5.445 -1.642 -25.455 1.00 0.00 H new ATOM 759 N GLN A 52 -2.091 -1.244 -21.984 1.00 0.00 N ATOM 760 CA GLN A 52 -0.785 -1.760 -21.593 1.00 0.00 C ATOM 761 C GLN A 52 -0.858 -3.252 -21.287 1.00 0.00 C ATOM 762 O GLN A 52 0.042 -4.014 -21.644 1.00 0.00 O ATOM 763 CB GLN A 52 -0.258 -1.002 -20.373 1.00 0.00 C ATOM 764 CG GLN A 52 -1.035 -1.288 -19.097 1.00 0.00 C ATOM 765 CD GLN A 52 -0.376 -0.694 -17.868 1.00 0.00 C ATOM 766 OE1 GLN A 52 0.339 -1.382 -17.139 1.00 0.00 O ATOM 767 NE2 GLN A 52 -0.615 0.590 -17.631 1.00 0.00 N ATOM 0 H GLN A 52 -2.272 -0.285 -21.687 1.00 0.00 H new ATOM 0 HA GLN A 52 -0.100 -1.612 -22.428 1.00 0.00 H new ATOM 0 HB2 GLN A 52 0.789 -1.263 -20.218 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -0.293 0.068 -20.578 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -2.044 -0.888 -19.193 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -1.131 -2.366 -18.968 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -1.214 1.122 -18.262 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -0.200 1.044 -16.818 1.00 0.00 H new ATOM 776 N ASP A 53 -1.933 -3.663 -20.624 1.00 0.00 N ATOM 777 CA ASP A 53 -2.124 -5.065 -20.271 1.00 0.00 C ATOM 778 C ASP A 53 -1.944 -5.963 -21.491 1.00 0.00 C ATOM 779 O ASP A 53 -1.216 -6.953 -21.443 1.00 0.00 O ATOM 780 CB ASP A 53 -3.513 -5.276 -19.667 1.00 0.00 C ATOM 781 CG ASP A 53 -3.766 -6.722 -19.287 1.00 0.00 C ATOM 782 OD1 ASP A 53 -3.189 -7.180 -18.278 1.00 0.00 O ATOM 783 OD2 ASP A 53 -4.541 -7.395 -19.998 1.00 0.00 O ATOM 0 H ASP A 53 -2.686 -3.045 -20.320 1.00 0.00 H new ATOM 0 HA ASP A 53 -1.370 -5.334 -19.531 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -3.621 -4.647 -18.783 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -4.270 -4.954 -20.382 1.00 0.00 H new ATOM 788 N ALA A 54 -2.615 -5.609 -22.583 1.00 0.00 N ATOM 789 CA ALA A 54 -2.528 -6.382 -23.816 1.00 0.00 C ATOM 790 C ALA A 54 -1.076 -6.605 -24.223 1.00 0.00 C ATOM 791 O ALA A 54 -0.693 -7.706 -24.620 1.00 0.00 O ATOM 792 CB ALA A 54 -3.290 -5.683 -24.931 1.00 0.00 C ATOM 0 H ALA A 54 -3.224 -4.793 -22.639 1.00 0.00 H new ATOM 0 HA ALA A 54 -2.981 -7.357 -23.637 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -3.217 -6.271 -25.846 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -4.338 -5.582 -24.648 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -2.863 -4.695 -25.100 1.00 0.00 H new ATOM 798 N LEU A 55 -0.271 -5.553 -24.125 1.00 0.00 N ATOM 799 CA LEU A 55 1.141 -5.633 -24.484 1.00 0.00 C ATOM 800 C LEU A 55 1.886 -6.587 -23.555 1.00 0.00 C ATOM 801 O LEU A 55 2.751 -7.347 -23.991 1.00 0.00 O ATOM 802 CB LEU A 55 1.781 -4.245 -24.429 1.00 0.00 C ATOM 803 CG LEU A 55 1.338 -3.258 -25.510 1.00 0.00 C ATOM 804 CD1 LEU A 55 1.505 -1.826 -25.025 1.00 0.00 C ATOM 805 CD2 LEU A 55 2.125 -3.484 -26.793 1.00 0.00 C ATOM 0 H LEU A 55 -0.572 -4.634 -23.800 1.00 0.00 H new ATOM 0 HA LEU A 55 1.211 -6.018 -25.501 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.566 -3.806 -23.455 1.00 0.00 H new ATOM 0 HB3 LEU A 55 2.863 -4.363 -24.494 1.00 0.00 H new ATOM 0 HG LEU A 55 0.282 -3.428 -25.720 1.00 0.00 H new ATOM 0 HD11 LEU A 55 1.185 -1.137 -25.807 1.00 0.00 H new ATOM 0 HD12 LEU A 55 0.897 -1.671 -24.134 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.553 -1.643 -24.786 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.797 -2.773 -27.551 1.00 0.00 H new ATOM 0 HD22 LEU A 55 3.188 -3.341 -26.598 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.955 -4.500 -27.150 1.00 0.00 H new ATOM 817 N LYS A 56 1.543 -6.543 -22.272 1.00 0.00 N ATOM 818 CA LYS A 56 2.176 -7.404 -21.281 1.00 0.00 C ATOM 819 C LYS A 56 2.241 -8.846 -21.775 1.00 0.00 C ATOM 820 O LYS A 56 1.212 -9.488 -21.985 1.00 0.00 O ATOM 821 CB LYS A 56 1.410 -7.342 -19.958 1.00 0.00 C ATOM 822 CG LYS A 56 1.991 -8.236 -18.876 1.00 0.00 C ATOM 823 CD LYS A 56 1.747 -7.664 -17.489 1.00 0.00 C ATOM 824 CE LYS A 56 1.961 -8.712 -16.408 1.00 0.00 C ATOM 825 NZ LYS A 56 1.016 -9.854 -16.547 1.00 0.00 N ATOM 0 H LYS A 56 0.830 -5.920 -21.894 1.00 0.00 H new ATOM 0 HA LYS A 56 3.193 -7.046 -21.122 1.00 0.00 H new ATOM 0 HB2 LYS A 56 1.401 -6.312 -19.601 1.00 0.00 H new ATOM 0 HB3 LYS A 56 0.373 -7.627 -20.135 1.00 0.00 H new ATOM 0 HG2 LYS A 56 1.546 -9.228 -18.945 1.00 0.00 H new ATOM 0 HG3 LYS A 56 3.062 -8.356 -19.038 1.00 0.00 H new ATOM 0 HD2 LYS A 56 2.418 -6.822 -17.319 1.00 0.00 H new ATOM 0 HD3 LYS A 56 0.729 -7.279 -17.427 1.00 0.00 H new ATOM 0 HE2 LYS A 56 2.986 -9.081 -16.457 1.00 0.00 H new ATOM 0 HE3 LYS A 56 1.834 -8.253 -15.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 0.898 -10.321 -15.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 0.094 -9.504 -16.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 1.395 -10.536 -17.235 1.00 0.00 H new ATOM 839 N CYS A 57 3.457 -9.349 -21.959 1.00 0.00 N ATOM 840 CA CYS A 57 3.657 -10.715 -22.428 1.00 0.00 C ATOM 841 C CYS A 57 2.866 -11.704 -21.576 1.00 0.00 C ATOM 842 O CYS A 57 2.223 -11.320 -20.600 1.00 0.00 O ATOM 843 CB CYS A 57 5.144 -11.074 -22.397 1.00 0.00 C ATOM 844 SG CYS A 57 5.630 -12.335 -23.619 1.00 0.00 S ATOM 0 H CYS A 57 4.319 -8.831 -21.790 1.00 0.00 H new ATOM 0 HA CYS A 57 3.296 -10.777 -23.455 1.00 0.00 H new ATOM 0 HB2 CYS A 57 5.729 -10.171 -22.571 1.00 0.00 H new ATOM 0 HB3 CYS A 57 5.400 -11.432 -21.400 1.00 0.00 H new ATOM 0 HG CYS A 57 6.668 -12.985 -23.183 1.00 0.00 H new ATOM 849 N GLN A 58 2.919 -12.977 -21.955 1.00 0.00 N ATOM 850 CA GLN A 58 2.207 -14.020 -21.226 1.00 0.00 C ATOM 851 C GLN A 58 3.150 -15.156 -20.842 1.00 0.00 C ATOM 852 O GLN A 58 2.954 -15.822 -19.825 1.00 0.00 O ATOM 853 CB GLN A 58 1.053 -14.563 -22.069 1.00 0.00 C ATOM 854 CG GLN A 58 -0.022 -15.261 -21.252 1.00 0.00 C ATOM 855 CD GLN A 58 -1.162 -15.778 -22.107 1.00 0.00 C ATOM 856 OE1 GLN A 58 -1.406 -15.278 -23.205 1.00 0.00 O ATOM 857 NE2 GLN A 58 -1.869 -16.784 -21.606 1.00 0.00 N ATOM 0 H GLN A 58 3.447 -13.311 -22.762 1.00 0.00 H new ATOM 0 HA GLN A 58 1.805 -13.581 -20.313 1.00 0.00 H new ATOM 0 HB2 GLN A 58 0.600 -13.740 -22.622 1.00 0.00 H new ATOM 0 HB3 GLN A 58 1.450 -15.262 -22.805 1.00 0.00 H new ATOM 0 HG2 GLN A 58 0.424 -16.093 -20.707 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -0.416 -14.567 -20.509 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -1.632 -17.168 -20.691 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -2.649 -17.173 -22.136 1.00 0.00 H new ATOM 866 N HIS A 59 4.174 -15.372 -21.662 1.00 0.00 N ATOM 867 CA HIS A 59 5.147 -16.428 -21.408 1.00 0.00 C ATOM 868 C HIS A 59 6.112 -16.021 -20.297 1.00 0.00 C ATOM 869 O HIS A 59 6.495 -16.842 -19.463 1.00 0.00 O ATOM 870 CB HIS A 59 5.927 -16.750 -22.683 1.00 0.00 C ATOM 871 CG HIS A 59 5.052 -16.980 -23.877 1.00 0.00 C ATOM 872 ND1 HIS A 59 4.264 -18.101 -24.028 1.00 0.00 N ATOM 873 CD2 HIS A 59 4.843 -16.224 -24.980 1.00 0.00 C ATOM 874 CE1 HIS A 59 3.609 -18.026 -25.173 1.00 0.00 C ATOM 875 NE2 HIS A 59 3.943 -16.896 -25.770 1.00 0.00 N ATOM 0 H HIS A 59 4.351 -14.830 -22.508 1.00 0.00 H new ATOM 0 HA HIS A 59 4.605 -17.318 -21.088 1.00 0.00 H new ATOM 0 HB2 HIS A 59 6.612 -15.930 -22.897 1.00 0.00 H new ATOM 0 HB3 HIS A 59 6.536 -17.638 -22.512 1.00 0.00 H new ATOM 0 HD2 HIS A 59 5.299 -15.270 -25.198 1.00 0.00 H new ATOM 0 HE1 HIS A 59 2.918 -18.763 -25.556 1.00 0.00 H new ATOM 0 HE2 HIS A 59 3.590 -16.575 -26.671 1.00 0.00 H new ATOM 883 N CYS A 60 6.500 -14.751 -20.294 1.00 0.00 N ATOM 884 CA CYS A 60 7.421 -14.235 -19.287 1.00 0.00 C ATOM 885 C CYS A 60 6.699 -13.307 -18.315 1.00 0.00 C ATOM 886 O CYS A 60 7.141 -13.113 -17.182 1.00 0.00 O ATOM 887 CB CYS A 60 8.577 -13.490 -19.958 1.00 0.00 C ATOM 888 SG CYS A 60 8.103 -11.896 -20.700 1.00 0.00 S ATOM 0 H CYS A 60 6.192 -14.059 -20.977 1.00 0.00 H new ATOM 0 HA CYS A 60 7.819 -15.081 -18.726 1.00 0.00 H new ATOM 0 HB2 CYS A 60 9.360 -13.316 -19.220 1.00 0.00 H new ATOM 0 HB3 CYS A 60 9.004 -14.127 -20.733 1.00 0.00 H new ATOM 0 HG CYS A 60 8.167 -11.984 -21.995 1.00 0.00 H new ATOM 893 N ARG A 61 5.587 -12.736 -18.766 1.00 0.00 N ATOM 894 CA ARG A 61 4.804 -11.827 -17.937 1.00 0.00 C ATOM 895 C ARG A 61 5.613 -10.584 -17.579 1.00 0.00 C ATOM 896 O ARG A 61 5.698 -10.199 -16.412 1.00 0.00 O ATOM 897 CB ARG A 61 4.345 -12.535 -16.660 1.00 0.00 C ATOM 898 CG ARG A 61 3.568 -13.815 -16.920 1.00 0.00 C ATOM 899 CD ARG A 61 2.087 -13.536 -17.127 1.00 0.00 C ATOM 900 NE ARG A 61 1.282 -14.750 -17.026 1.00 0.00 N ATOM 901 CZ ARG A 61 1.076 -15.404 -15.888 1.00 0.00 C ATOM 902 NH1 ARG A 61 1.614 -14.962 -14.760 1.00 0.00 N ATOM 903 NH2 ARG A 61 0.331 -16.501 -15.878 1.00 0.00 N ATOM 0 H ARG A 61 5.208 -12.887 -19.701 1.00 0.00 H new ATOM 0 HA ARG A 61 3.929 -11.518 -18.508 1.00 0.00 H new ATOM 0 HB2 ARG A 61 5.218 -12.767 -16.050 1.00 0.00 H new ATOM 0 HB3 ARG A 61 3.723 -11.853 -16.080 1.00 0.00 H new ATOM 0 HG2 ARG A 61 3.972 -14.314 -17.801 1.00 0.00 H new ATOM 0 HG3 ARG A 61 3.697 -14.497 -16.080 1.00 0.00 H new ATOM 0 HD2 ARG A 61 1.747 -12.813 -16.385 1.00 0.00 H new ATOM 0 HD3 ARG A 61 1.937 -13.082 -18.107 1.00 0.00 H new ATOM 0 HE ARG A 61 0.854 -15.116 -17.876 1.00 0.00 H new ATOM 0 HH11 ARG A 61 2.187 -14.118 -14.765 1.00 0.00 H new ATOM 0 HH12 ARG A 61 1.455 -15.466 -13.887 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -0.084 -16.843 -16.744 1.00 0.00 H new ATOM 0 HH22 ARG A 61 0.173 -17.002 -15.004 1.00 0.00 H new ATOM 917 N LYS A 62 6.208 -9.960 -18.590 1.00 0.00 N ATOM 918 CA LYS A 62 7.010 -8.760 -18.384 1.00 0.00 C ATOM 919 C LYS A 62 6.394 -7.564 -19.102 1.00 0.00 C ATOM 920 O LYS A 62 6.109 -7.626 -20.297 1.00 0.00 O ATOM 921 CB LYS A 62 8.440 -8.986 -18.882 1.00 0.00 C ATOM 922 CG LYS A 62 9.382 -7.837 -18.566 1.00 0.00 C ATOM 923 CD LYS A 62 10.817 -8.317 -18.420 1.00 0.00 C ATOM 924 CE LYS A 62 11.049 -8.974 -17.068 1.00 0.00 C ATOM 925 NZ LYS A 62 11.282 -7.968 -15.995 1.00 0.00 N ATOM 0 H LYS A 62 6.150 -10.266 -19.561 1.00 0.00 H new ATOM 0 HA LYS A 62 7.033 -8.547 -17.315 1.00 0.00 H new ATOM 0 HB2 LYS A 62 8.832 -9.900 -18.435 1.00 0.00 H new ATOM 0 HB3 LYS A 62 8.420 -9.142 -19.961 1.00 0.00 H new ATOM 0 HG2 LYS A 62 9.326 -7.091 -19.358 1.00 0.00 H new ATOM 0 HG3 LYS A 62 9.065 -7.348 -17.645 1.00 0.00 H new ATOM 0 HD2 LYS A 62 11.047 -9.026 -19.215 1.00 0.00 H new ATOM 0 HD3 LYS A 62 11.498 -7.474 -18.538 1.00 0.00 H new ATOM 0 HE2 LYS A 62 10.186 -9.587 -16.809 1.00 0.00 H new ATOM 0 HE3 LYS A 62 11.908 -9.643 -17.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 11.436 -8.456 -15.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 12.121 -7.399 -16.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 10.452 -7.346 -15.916 1.00 0.00 H new ATOM 939 N GLN A 63 6.193 -6.477 -18.365 1.00 0.00 N ATOM 940 CA GLN A 63 5.611 -5.266 -18.932 1.00 0.00 C ATOM 941 C GLN A 63 6.600 -4.572 -19.863 1.00 0.00 C ATOM 942 O GLN A 63 7.780 -4.434 -19.541 1.00 0.00 O ATOM 943 CB GLN A 63 5.183 -4.309 -17.818 1.00 0.00 C ATOM 944 CG GLN A 63 4.058 -3.370 -18.221 1.00 0.00 C ATOM 945 CD GLN A 63 4.436 -2.469 -19.380 1.00 0.00 C ATOM 946 OE1 GLN A 63 5.413 -1.723 -19.308 1.00 0.00 O ATOM 947 NE2 GLN A 63 3.662 -2.532 -20.457 1.00 0.00 N ATOM 0 H GLN A 63 6.424 -6.410 -17.374 1.00 0.00 H new ATOM 0 HA GLN A 63 4.733 -5.552 -19.511 1.00 0.00 H new ATOM 0 HB2 GLN A 63 4.867 -4.891 -16.952 1.00 0.00 H new ATOM 0 HB3 GLN A 63 6.045 -3.718 -17.507 1.00 0.00 H new ATOM 0 HG2 GLN A 63 3.180 -3.956 -18.493 1.00 0.00 H new ATOM 0 HG3 GLN A 63 3.778 -2.756 -17.365 1.00 0.00 H new ATOM 0 HE21 GLN A 63 2.862 -3.165 -20.474 1.00 0.00 H new ATOM 0 HE22 GLN A 63 3.867 -1.948 -21.268 1.00 0.00 H new ATOM 956 N PHE A 64 6.110 -4.137 -21.020 1.00 0.00 N ATOM 957 CA PHE A 64 6.951 -3.458 -21.999 1.00 0.00 C ATOM 958 C PHE A 64 6.378 -2.088 -22.351 1.00 0.00 C ATOM 959 O PHE A 64 5.272 -1.983 -22.882 1.00 0.00 O ATOM 960 CB PHE A 64 7.086 -4.308 -23.264 1.00 0.00 C ATOM 961 CG PHE A 64 8.108 -5.402 -23.145 1.00 0.00 C ATOM 962 CD1 PHE A 64 7.770 -6.626 -22.589 1.00 0.00 C ATOM 963 CD2 PHE A 64 9.406 -5.207 -23.588 1.00 0.00 C ATOM 964 CE1 PHE A 64 8.708 -7.635 -22.479 1.00 0.00 C ATOM 965 CE2 PHE A 64 10.348 -6.213 -23.480 1.00 0.00 C ATOM 966 CZ PHE A 64 9.999 -7.428 -22.924 1.00 0.00 C ATOM 0 H PHE A 64 5.135 -4.243 -21.302 1.00 0.00 H new ATOM 0 HA PHE A 64 7.938 -3.317 -21.558 1.00 0.00 H new ATOM 0 HB2 PHE A 64 6.118 -4.750 -23.500 1.00 0.00 H new ATOM 0 HB3 PHE A 64 7.353 -3.661 -24.100 1.00 0.00 H new ATOM 0 HD1 PHE A 64 6.762 -6.793 -22.238 1.00 0.00 H new ATOM 0 HD2 PHE A 64 9.685 -4.259 -24.023 1.00 0.00 H new ATOM 0 HE1 PHE A 64 8.432 -8.585 -22.045 1.00 0.00 H new ATOM 0 HE2 PHE A 64 11.356 -6.049 -23.830 1.00 0.00 H new ATOM 0 HZ PHE A 64 10.734 -8.215 -22.837 1.00 0.00 H new ATOM 976 N LYS A 65 7.139 -1.041 -22.052 1.00 0.00 N ATOM 977 CA LYS A 65 6.710 0.323 -22.337 1.00 0.00 C ATOM 978 C LYS A 65 6.907 0.659 -23.811 1.00 0.00 C ATOM 979 O LYS A 65 7.387 1.740 -24.153 1.00 0.00 O ATOM 980 CB LYS A 65 7.486 1.316 -21.468 1.00 0.00 C ATOM 981 CG LYS A 65 8.993 1.207 -21.619 1.00 0.00 C ATOM 982 CD LYS A 65 9.709 1.536 -20.320 1.00 0.00 C ATOM 983 CE LYS A 65 11.011 0.762 -20.189 1.00 0.00 C ATOM 984 NZ LYS A 65 11.383 0.537 -18.765 1.00 0.00 N ATOM 0 H LYS A 65 8.057 -1.111 -21.612 1.00 0.00 H new ATOM 0 HA LYS A 65 5.648 0.399 -22.104 1.00 0.00 H new ATOM 0 HB2 LYS A 65 7.176 2.329 -21.723 1.00 0.00 H new ATOM 0 HB3 LYS A 65 7.221 1.156 -20.423 1.00 0.00 H new ATOM 0 HG2 LYS A 65 9.256 0.197 -21.935 1.00 0.00 H new ATOM 0 HG3 LYS A 65 9.331 1.884 -22.403 1.00 0.00 H new ATOM 0 HD2 LYS A 65 9.915 2.606 -20.278 1.00 0.00 H new ATOM 0 HD3 LYS A 65 9.060 1.303 -19.476 1.00 0.00 H new ATOM 0 HE2 LYS A 65 10.915 -0.199 -20.695 1.00 0.00 H new ATOM 0 HE3 LYS A 65 11.810 1.308 -20.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 12.276 0.006 -18.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 11.500 1.454 -18.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 10.633 -0.006 -18.292 1.00 0.00 H new ATOM 998 N SER A 66 6.532 -0.273 -24.681 1.00 0.00 N ATOM 999 CA SER A 66 6.671 -0.077 -26.120 1.00 0.00 C ATOM 1000 C SER A 66 6.064 -1.246 -26.889 1.00 0.00 C ATOM 1001 O SER A 66 6.090 -2.388 -26.429 1.00 0.00 O ATOM 1002 CB SER A 66 8.145 0.084 -26.494 1.00 0.00 C ATOM 1003 OG SER A 66 8.294 0.906 -27.639 1.00 0.00 O ATOM 0 H SER A 66 6.129 -1.172 -24.415 1.00 0.00 H new ATOM 0 HA SER A 66 6.133 0.832 -26.391 1.00 0.00 H new ATOM 0 HB2 SER A 66 8.690 0.519 -25.657 1.00 0.00 H new ATOM 0 HB3 SER A 66 8.584 -0.895 -26.686 1.00 0.00 H new ATOM 0 HG SER A 66 9.245 0.995 -27.856 1.00 0.00 H new ATOM 1009 N LYS A 67 5.517 -0.953 -28.064 1.00 0.00 N ATOM 1010 CA LYS A 67 4.903 -1.978 -28.900 1.00 0.00 C ATOM 1011 C LYS A 67 5.944 -2.646 -29.793 1.00 0.00 C ATOM 1012 O LYS A 67 5.958 -3.868 -29.940 1.00 0.00 O ATOM 1013 CB LYS A 67 3.794 -1.368 -29.759 1.00 0.00 C ATOM 1014 CG LYS A 67 2.751 -2.376 -30.211 1.00 0.00 C ATOM 1015 CD LYS A 67 3.117 -2.994 -31.550 1.00 0.00 C ATOM 1016 CE LYS A 67 2.751 -2.076 -32.706 1.00 0.00 C ATOM 1017 NZ LYS A 67 3.343 -2.541 -33.992 1.00 0.00 N ATOM 0 H LYS A 67 5.486 -0.013 -28.459 1.00 0.00 H new ATOM 0 HA LYS A 67 4.471 -2.735 -28.246 1.00 0.00 H new ATOM 0 HB2 LYS A 67 3.302 -0.577 -29.194 1.00 0.00 H new ATOM 0 HB3 LYS A 67 4.241 -0.902 -30.637 1.00 0.00 H new ATOM 0 HG2 LYS A 67 2.654 -3.161 -29.461 1.00 0.00 H new ATOM 0 HG3 LYS A 67 1.780 -1.887 -30.288 1.00 0.00 H new ATOM 0 HD2 LYS A 67 4.186 -3.204 -31.575 1.00 0.00 H new ATOM 0 HD3 LYS A 67 2.602 -3.948 -31.665 1.00 0.00 H new ATOM 0 HE2 LYS A 67 1.666 -2.027 -32.802 1.00 0.00 H new ATOM 0 HE3 LYS A 67 3.098 -1.065 -32.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 3.071 -1.889 -34.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 4.379 -2.563 -33.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 2.993 -3.496 -34.210 1.00 0.00 H new ATOM 1031 N ALA A 68 6.814 -1.836 -30.388 1.00 0.00 N ATOM 1032 CA ALA A 68 7.860 -2.349 -31.264 1.00 0.00 C ATOM 1033 C ALA A 68 8.839 -3.228 -30.493 1.00 0.00 C ATOM 1034 O ALA A 68 9.319 -4.238 -31.007 1.00 0.00 O ATOM 1035 CB ALA A 68 8.595 -1.200 -31.937 1.00 0.00 C ATOM 0 H ALA A 68 6.815 -0.822 -30.279 1.00 0.00 H new ATOM 0 HA ALA A 68 7.389 -2.963 -32.032 1.00 0.00 H new ATOM 0 HB1 ALA A 68 9.373 -1.598 -32.588 1.00 0.00 H new ATOM 0 HB2 ALA A 68 7.891 -0.615 -32.528 1.00 0.00 H new ATOM 0 HB3 ALA A 68 9.048 -0.563 -31.177 1.00 0.00 H new ATOM 1041 N GLY A 69 9.133 -2.836 -29.257 1.00 0.00 N ATOM 1042 CA GLY A 69 10.055 -3.599 -28.436 1.00 0.00 C ATOM 1043 C GLY A 69 9.533 -4.985 -28.113 1.00 0.00 C ATOM 1044 O GLY A 69 10.278 -5.964 -28.161 1.00 0.00 O ATOM 0 H GLY A 69 8.749 -2.004 -28.810 1.00 0.00 H new ATOM 0 HA2 GLY A 69 11.011 -3.685 -28.953 1.00 0.00 H new ATOM 0 HA3 GLY A 69 10.242 -3.059 -27.508 1.00 0.00 H new ATOM 1048 N LEU A 70 8.249 -5.069 -27.780 1.00 0.00 N ATOM 1049 CA LEU A 70 7.628 -6.345 -27.445 1.00 0.00 C ATOM 1050 C LEU A 70 7.793 -7.347 -28.584 1.00 0.00 C ATOM 1051 O LEU A 70 8.058 -8.526 -28.354 1.00 0.00 O ATOM 1052 CB LEU A 70 6.143 -6.147 -27.137 1.00 0.00 C ATOM 1053 CG LEU A 70 5.334 -7.419 -26.880 1.00 0.00 C ATOM 1054 CD1 LEU A 70 5.599 -7.945 -25.478 1.00 0.00 C ATOM 1055 CD2 LEU A 70 3.849 -7.157 -27.082 1.00 0.00 C ATOM 0 H LEU A 70 7.618 -4.268 -27.735 1.00 0.00 H new ATOM 0 HA LEU A 70 8.127 -6.742 -26.561 1.00 0.00 H new ATOM 0 HB2 LEU A 70 6.057 -5.503 -26.262 1.00 0.00 H new ATOM 0 HB3 LEU A 70 5.688 -5.613 -27.971 1.00 0.00 H new ATOM 0 HG LEU A 70 5.649 -8.178 -27.596 1.00 0.00 H new ATOM 0 HD11 LEU A 70 5.015 -8.850 -25.313 1.00 0.00 H new ATOM 0 HD12 LEU A 70 6.659 -8.172 -25.369 1.00 0.00 H new ATOM 0 HD13 LEU A 70 5.313 -7.190 -24.746 1.00 0.00 H new ATOM 0 HD21 LEU A 70 3.289 -8.073 -26.895 1.00 0.00 H new ATOM 0 HD22 LEU A 70 3.519 -6.382 -26.390 1.00 0.00 H new ATOM 0 HD23 LEU A 70 3.674 -6.827 -28.106 1.00 0.00 H new ATOM 1067 N ASN A 71 7.636 -6.867 -29.814 1.00 0.00 N ATOM 1068 CA ASN A 71 7.769 -7.720 -30.989 1.00 0.00 C ATOM 1069 C ASN A 71 9.152 -8.362 -31.041 1.00 0.00 C ATOM 1070 O ASN A 71 9.280 -9.573 -31.229 1.00 0.00 O ATOM 1071 CB ASN A 71 7.523 -6.910 -32.264 1.00 0.00 C ATOM 1072 CG ASN A 71 6.357 -5.951 -32.122 1.00 0.00 C ATOM 1073 OD1 ASN A 71 5.405 -6.217 -31.388 1.00 0.00 O ATOM 1074 ND2 ASN A 71 6.426 -4.827 -32.827 1.00 0.00 N ATOM 0 H ASN A 71 7.417 -5.893 -30.022 1.00 0.00 H new ATOM 0 HA ASN A 71 7.022 -8.511 -30.919 1.00 0.00 H new ATOM 0 HB2 ASN A 71 8.423 -6.349 -32.514 1.00 0.00 H new ATOM 0 HB3 ASN A 71 7.331 -7.591 -33.093 1.00 0.00 H new ATOM 0 HD21 ASN A 71 5.671 -4.144 -32.772 1.00 0.00 H new ATOM 0 HD22 ASN A 71 7.234 -4.647 -33.423 1.00 0.00 H new ATOM 1081 N TYR A 72 10.185 -7.544 -30.874 1.00 0.00 N ATOM 1082 CA TYR A 72 11.559 -8.031 -30.904 1.00 0.00 C ATOM 1083 C TYR A 72 11.831 -8.967 -29.729 1.00 0.00 C ATOM 1084 O TYR A 72 12.515 -9.980 -29.873 1.00 0.00 O ATOM 1085 CB TYR A 72 12.539 -6.857 -30.872 1.00 0.00 C ATOM 1086 CG TYR A 72 13.967 -7.253 -31.173 1.00 0.00 C ATOM 1087 CD1 TYR A 72 14.313 -7.804 -32.401 1.00 0.00 C ATOM 1088 CD2 TYR A 72 14.972 -7.074 -30.229 1.00 0.00 C ATOM 1089 CE1 TYR A 72 15.616 -8.168 -32.679 1.00 0.00 C ATOM 1090 CE2 TYR A 72 16.278 -7.434 -30.500 1.00 0.00 C ATOM 1091 CZ TYR A 72 16.595 -7.980 -31.726 1.00 0.00 C ATOM 1092 OH TYR A 72 17.895 -8.340 -32.000 1.00 0.00 O ATOM 0 H TYR A 72 10.097 -6.540 -30.716 1.00 0.00 H new ATOM 0 HA TYR A 72 11.700 -8.589 -31.830 1.00 0.00 H new ATOM 0 HB2 TYR A 72 12.218 -6.107 -31.595 1.00 0.00 H new ATOM 0 HB3 TYR A 72 12.500 -6.389 -29.889 1.00 0.00 H new ATOM 0 HD1 TYR A 72 13.550 -7.950 -33.151 1.00 0.00 H new ATOM 0 HD2 TYR A 72 14.728 -6.646 -29.268 1.00 0.00 H new ATOM 0 HE1 TYR A 72 15.867 -8.598 -33.638 1.00 0.00 H new ATOM 0 HE2 TYR A 72 17.047 -7.289 -29.755 1.00 0.00 H new ATOM 0 HH TYR A 72 18.460 -8.141 -31.224 1.00 0.00 H new ATOM 1102 N HIS A 73 11.289 -8.619 -28.566 1.00 0.00 N ATOM 1103 CA HIS A 73 11.471 -9.427 -27.366 1.00 0.00 C ATOM 1104 C HIS A 73 10.797 -10.787 -27.519 1.00 0.00 C ATOM 1105 O HIS A 73 11.452 -11.828 -27.459 1.00 0.00 O ATOM 1106 CB HIS A 73 10.906 -8.700 -26.145 1.00 0.00 C ATOM 1107 CG HIS A 73 10.280 -9.615 -25.139 1.00 0.00 C ATOM 1108 ND1 HIS A 73 10.970 -10.141 -24.067 1.00 0.00 N ATOM 1109 CD2 HIS A 73 9.018 -10.097 -25.046 1.00 0.00 C ATOM 1110 CE1 HIS A 73 10.160 -10.908 -23.359 1.00 0.00 C ATOM 1111 NE2 HIS A 73 8.970 -10.898 -23.931 1.00 0.00 N ATOM 0 H HIS A 73 10.720 -7.783 -28.430 1.00 0.00 H new ATOM 0 HA HIS A 73 12.540 -9.585 -27.223 1.00 0.00 H new ATOM 0 HB2 HIS A 73 11.707 -8.139 -25.664 1.00 0.00 H new ATOM 0 HB3 HIS A 73 10.163 -7.975 -26.476 1.00 0.00 H new ATOM 0 HD1 HIS A 73 11.952 -9.965 -23.854 1.00 0.00 H new ATOM 0 HD2 HIS A 73 8.202 -9.890 -25.722 1.00 0.00 H new ATOM 0 HE1 HIS A 73 10.426 -11.451 -22.464 1.00 0.00 H new ATOM 1119 N THR A 74 9.482 -10.772 -27.718 1.00 0.00 N ATOM 1120 CA THR A 74 8.719 -12.003 -27.878 1.00 0.00 C ATOM 1121 C THR A 74 9.520 -13.051 -28.642 1.00 0.00 C ATOM 1122 O THR A 74 9.657 -14.189 -28.194 1.00 0.00 O ATOM 1123 CB THR A 74 7.391 -11.749 -28.616 1.00 0.00 C ATOM 1124 OG1 THR A 74 6.640 -10.735 -27.939 1.00 0.00 O ATOM 1125 CG2 THR A 74 6.568 -13.025 -28.703 1.00 0.00 C ATOM 0 H THR A 74 8.924 -9.920 -27.772 1.00 0.00 H new ATOM 0 HA THR A 74 8.504 -12.374 -26.876 1.00 0.00 H new ATOM 0 HB THR A 74 7.621 -11.415 -29.628 1.00 0.00 H new ATOM 0 HG1 THR A 74 6.893 -9.854 -28.286 1.00 0.00 H new ATOM 0 HG21 THR A 74 5.635 -12.821 -29.228 1.00 0.00 H new ATOM 0 HG22 THR A 74 7.131 -13.785 -29.245 1.00 0.00 H new ATOM 0 HG23 THR A 74 6.348 -13.385 -27.698 1.00 0.00 H new ATOM 1133 N MET A 75 10.047 -12.659 -29.797 1.00 0.00 N ATOM 1134 CA MET A 75 10.837 -13.566 -30.623 1.00 0.00 C ATOM 1135 C MET A 75 12.242 -13.735 -30.053 1.00 0.00 C ATOM 1136 O MET A 75 12.751 -14.851 -29.955 1.00 0.00 O ATOM 1137 CB MET A 75 10.915 -13.045 -32.059 1.00 0.00 C ATOM 1138 CG MET A 75 11.178 -14.133 -33.087 1.00 0.00 C ATOM 1139 SD MET A 75 12.936 -14.463 -33.315 1.00 0.00 S ATOM 1140 CE MET A 75 13.451 -12.975 -34.170 1.00 0.00 C ATOM 0 H MET A 75 9.942 -11.720 -30.182 1.00 0.00 H new ATOM 0 HA MET A 75 10.345 -14.539 -30.624 1.00 0.00 H new ATOM 0 HB2 MET A 75 9.980 -12.542 -32.306 1.00 0.00 H new ATOM 0 HB3 MET A 75 11.706 -12.297 -32.123 1.00 0.00 H new ATOM 0 HG2 MET A 75 10.678 -15.050 -32.776 1.00 0.00 H new ATOM 0 HG3 MET A 75 10.741 -13.839 -34.041 1.00 0.00 H new ATOM 0 HE1 MET A 75 14.364 -13.175 -34.731 1.00 0.00 H new ATOM 0 HE2 MET A 75 12.665 -12.659 -34.856 1.00 0.00 H new ATOM 0 HE3 MET A 75 13.638 -12.184 -33.444 1.00 0.00 H new ATOM 1150 N ALA A 76 12.862 -12.621 -29.681 1.00 0.00 N ATOM 1151 CA ALA A 76 14.208 -12.647 -29.120 1.00 0.00 C ATOM 1152 C ALA A 76 14.336 -13.727 -28.051 1.00 0.00 C ATOM 1153 O ALA A 76 15.405 -14.310 -27.872 1.00 0.00 O ATOM 1154 CB ALA A 76 14.565 -11.285 -28.543 1.00 0.00 C ATOM 0 H ALA A 76 12.455 -11.689 -29.758 1.00 0.00 H new ATOM 0 HA ALA A 76 14.906 -12.883 -29.923 1.00 0.00 H new ATOM 0 HB1 ALA A 76 15.572 -11.318 -28.128 1.00 0.00 H new ATOM 0 HB2 ALA A 76 14.522 -10.533 -29.331 1.00 0.00 H new ATOM 0 HB3 ALA A 76 13.856 -11.026 -27.756 1.00 0.00 H new ATOM 1160 N GLU A 77 13.241 -13.988 -27.345 1.00 0.00 N ATOM 1161 CA GLU A 77 13.233 -14.997 -26.293 1.00 0.00 C ATOM 1162 C GLU A 77 12.245 -16.114 -26.618 1.00 0.00 C ATOM 1163 O GLU A 77 12.608 -17.291 -26.645 1.00 0.00 O ATOM 1164 CB GLU A 77 12.877 -14.361 -24.948 1.00 0.00 C ATOM 1165 CG GLU A 77 14.081 -13.836 -24.184 1.00 0.00 C ATOM 1166 CD GLU A 77 15.249 -14.803 -24.201 1.00 0.00 C ATOM 1167 OE1 GLU A 77 15.088 -15.939 -23.708 1.00 0.00 O ATOM 1168 OE2 GLU A 77 16.326 -14.423 -24.708 1.00 0.00 O ATOM 0 H GLU A 77 12.348 -13.515 -27.482 1.00 0.00 H new ATOM 0 HA GLU A 77 14.233 -15.427 -26.230 1.00 0.00 H new ATOM 0 HB2 GLU A 77 12.179 -13.541 -25.117 1.00 0.00 H new ATOM 0 HB3 GLU A 77 12.360 -15.098 -24.333 1.00 0.00 H new ATOM 0 HG2 GLU A 77 14.395 -12.886 -24.616 1.00 0.00 H new ATOM 0 HG3 GLU A 77 13.793 -13.638 -23.152 1.00 0.00 H new ATOM 1175 N HIS A 78 10.994 -15.737 -26.862 1.00 0.00 N ATOM 1176 CA HIS A 78 9.953 -16.706 -27.185 1.00 0.00 C ATOM 1177 C HIS A 78 9.824 -16.882 -28.695 1.00 0.00 C ATOM 1178 O HIS A 78 9.048 -16.185 -29.348 1.00 0.00 O ATOM 1179 CB HIS A 78 8.614 -16.262 -26.596 1.00 0.00 C ATOM 1180 CG HIS A 78 8.743 -15.544 -25.288 1.00 0.00 C ATOM 1181 ND1 HIS A 78 9.667 -15.894 -24.326 1.00 0.00 N ATOM 1182 CD2 HIS A 78 8.061 -14.489 -24.786 1.00 0.00 C ATOM 1183 CE1 HIS A 78 9.545 -15.086 -23.288 1.00 0.00 C ATOM 1184 NE2 HIS A 78 8.578 -14.224 -23.542 1.00 0.00 N ATOM 0 H HIS A 78 10.677 -14.768 -26.842 1.00 0.00 H new ATOM 0 HA HIS A 78 10.234 -17.664 -26.748 1.00 0.00 H new ATOM 0 HB2 HIS A 78 8.110 -15.611 -27.310 1.00 0.00 H new ATOM 0 HB3 HIS A 78 7.979 -17.137 -26.460 1.00 0.00 H new ATOM 0 HD1 HIS A 78 10.339 -16.657 -24.404 1.00 0.00 H new ATOM 0 HD2 HIS A 78 7.259 -13.955 -25.273 1.00 0.00 H new ATOM 0 HE1 HIS A 78 10.136 -15.124 -22.385 1.00 0.00 H new