USER MOD reduce.3.24.130724 H: found=0, std=0, add=748, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 749 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 41 TYR OH : rot 81:sc= 0.407 USER MOD Set 1.2: A 63 ASN : amide:sc= 0.701 K(o=1.1,f=0.13) USER MOD Single : A 9 SER OG : rot 180:sc=-0.00566 USER MOD Single : A 10 THR OG1 : rot 117:sc= 0.911 USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HD1:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 16 GLN :FLIP amide:sc= -0.503 F(o=-1.5,f=-0.5) USER MOD Single : A 18 SER OG : rot 7:sc= 1.12 USER MOD Single : A 20 THR OG1 : rot -110:sc= -3.21 USER MOD Single : A 21 MET CE :methyl 175:sc= -1.6 (180deg=-1.72) USER MOD Single : A 23 SER OG : rot 180:sc= -0.641 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 GLN : amide:sc= -5.02! C(o=-5!,f=-7!) USER MOD Single : A 35 ASN : amide:sc= 0.917 K(o=0.92,f=-0.036) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ -155:sc= -0.0675 (180deg=-0.385) USER MOD Single : A 50 HIS : no HD1:sc= -0.0259 X(o=-0.026,f=-0.026) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=-0.028) USER MOD Single : A 55 SER OG : rot -83:sc= 0.792 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl 176:sc= 0 (180deg=-0.00975) USER MOD Single : A 60 SER OG : rot -107:sc= 0.334 USER MOD Single : A 61 GLN : amide:sc= -0.114 K(o=-0.11,f=-1.9!) USER MOD Single : A 62 THR OG1 : rot 177:sc= -0.851! USER MOD Single : A 64 THR OG1 : rot 52:sc= 0.00292 USER MOD Single : A 74 MET CE :methyl -165:sc= -0.893 (180deg=-1.47!) USER MOD Single : A 76 TYR OH : rot 30:sc= -0.0444 USER MOD Single : A 79 GLN : amide:sc= -0.11 X(o=-0.11,f=-0.017) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ -126:sc= -0.0435 (180deg=-0.778) USER MOD Single : A 92 SER OG : rot -40:sc= -2.14! USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 MET CE :methyl -116:sc= -0.597 (180deg=-0.984) USER MOD Single : A 96 CYS SG : rot 37:sc= 0.114 USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 THR OG1 : rot -126:sc= 0.322 USER MOD Single : A 101 THR OG1 : rot 34:sc= 0.869 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -1.972 -17.355 -4.663 1.00 0.00 N ATOM 60 CA GLY A 7 -1.097 -16.547 -5.493 1.00 0.00 C ATOM 61 C GLY A 7 0.300 -16.425 -4.917 1.00 0.00 C ATOM 62 O GLY A 7 0.741 -17.255 -4.122 1.00 0.00 O ATOM 0 HA2 GLY A 7 -1.039 -16.986 -6.489 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -1.527 -15.552 -5.608 1.00 0.00 H new ATOM 66 N PRO A 8 1.021 -15.370 -5.323 1.00 0.00 N ATOM 67 CA PRO A 8 2.388 -15.119 -4.855 1.00 0.00 C ATOM 68 C PRO A 8 2.432 -14.708 -3.387 1.00 0.00 C ATOM 69 O PRO A 8 1.462 -14.170 -2.854 1.00 0.00 O ATOM 70 CB PRO A 8 2.862 -13.968 -5.747 1.00 0.00 C ATOM 71 CG PRO A 8 1.612 -13.273 -6.164 1.00 0.00 C ATOM 72 CD PRO A 8 0.559 -14.341 -6.269 1.00 0.00 C ATOM 0 HA PRO A 8 3.011 -16.011 -4.919 1.00 0.00 H new ATOM 0 HB2 PRO A 8 3.527 -13.295 -5.205 1.00 0.00 H new ATOM 0 HB3 PRO A 8 3.416 -14.338 -6.610 1.00 0.00 H new ATOM 0 HG2 PRO A 8 1.326 -12.514 -5.436 1.00 0.00 H new ATOM 0 HG3 PRO A 8 1.748 -12.764 -7.118 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -0.427 -13.961 -6.000 1.00 0.00 H new ATOM 0 HD3 PRO A 8 0.484 -14.733 -7.283 1.00 0.00 H new ATOM 80 N SER A 9 3.563 -14.966 -2.739 1.00 0.00 N ATOM 81 CA SER A 9 3.732 -14.626 -1.331 1.00 0.00 C ATOM 82 C SER A 9 3.307 -13.185 -1.066 1.00 0.00 C ATOM 83 O SER A 9 2.947 -12.451 -1.986 1.00 0.00 O ATOM 84 CB SER A 9 5.189 -14.826 -0.908 1.00 0.00 C ATOM 85 OG SER A 9 5.318 -14.794 0.503 1.00 0.00 O ATOM 0 H SER A 9 4.376 -15.409 -3.166 1.00 0.00 H new ATOM 0 HA SER A 9 3.096 -15.288 -0.743 1.00 0.00 H new ATOM 0 HB2 SER A 9 5.554 -15.780 -1.288 1.00 0.00 H new ATOM 0 HB3 SER A 9 5.810 -14.048 -1.351 1.00 0.00 H new ATOM 0 HG SER A 9 6.258 -14.926 0.749 1.00 0.00 H new ATOM 91 N THR A 10 3.352 -12.786 0.202 1.00 0.00 N ATOM 92 CA THR A 10 2.971 -11.434 0.591 1.00 0.00 C ATOM 93 C THR A 10 3.819 -10.937 1.756 1.00 0.00 C ATOM 94 O THR A 10 3.954 -11.618 2.773 1.00 0.00 O ATOM 95 CB THR A 10 1.484 -11.361 0.986 1.00 0.00 C ATOM 96 OG1 THR A 10 1.053 -9.996 1.023 1.00 0.00 O ATOM 97 CG2 THR A 10 1.252 -12.008 2.343 1.00 0.00 C ATOM 0 H THR A 10 3.648 -13.380 0.976 1.00 0.00 H new ATOM 0 HA THR A 10 3.141 -10.796 -0.277 1.00 0.00 H new ATOM 0 HB THR A 10 0.906 -11.904 0.239 1.00 0.00 H new ATOM 0 HG1 THR A 10 0.356 -9.855 0.349 1.00 0.00 H new ATOM 0 HG21 THR A 10 0.195 -11.944 2.601 1.00 0.00 H new ATOM 0 HG22 THR A 10 1.553 -13.055 2.303 1.00 0.00 H new ATOM 0 HG23 THR A 10 1.841 -11.489 3.099 1.00 0.00 H new ATOM 105 N VAL A 11 4.389 -9.746 1.602 1.00 0.00 N ATOM 106 CA VAL A 11 5.223 -9.157 2.642 1.00 0.00 C ATOM 107 C VAL A 11 4.684 -9.486 4.030 1.00 0.00 C ATOM 108 O VAL A 11 3.479 -9.445 4.281 1.00 0.00 O ATOM 109 CB VAL A 11 5.316 -7.628 2.488 1.00 0.00 C ATOM 110 CG1 VAL A 11 6.115 -7.023 3.633 1.00 0.00 C ATOM 111 CG2 VAL A 11 5.933 -7.264 1.146 1.00 0.00 C ATOM 0 H VAL A 11 4.288 -9.170 0.766 1.00 0.00 H new ATOM 0 HA VAL A 11 6.219 -9.586 2.531 1.00 0.00 H new ATOM 0 HB VAL A 11 4.308 -7.215 2.522 1.00 0.00 H new ATOM 0 HG11 VAL A 11 6.170 -5.942 3.507 1.00 0.00 H new ATOM 0 HG12 VAL A 11 5.626 -7.254 4.580 1.00 0.00 H new ATOM 0 HG13 VAL A 11 7.122 -7.440 3.634 1.00 0.00 H new ATOM 0 HG21 VAL A 11 5.991 -6.179 1.054 1.00 0.00 H new ATOM 0 HG22 VAL A 11 6.935 -7.688 1.079 1.00 0.00 H new ATOM 0 HG23 VAL A 11 5.316 -7.664 0.341 1.00 0.00 H new ATOM 121 N PRO A 12 5.596 -9.818 4.956 1.00 0.00 N ATOM 122 CA PRO A 12 5.236 -10.159 6.335 1.00 0.00 C ATOM 123 C PRO A 12 4.737 -8.950 7.120 1.00 0.00 C ATOM 124 O PRO A 12 3.676 -8.998 7.743 1.00 0.00 O ATOM 125 CB PRO A 12 6.550 -10.676 6.927 1.00 0.00 C ATOM 126 CG PRO A 12 7.614 -10.024 6.114 1.00 0.00 C ATOM 127 CD PRO A 12 7.049 -9.886 4.727 1.00 0.00 C ATOM 0 HA PRO A 12 4.420 -10.881 6.377 1.00 0.00 H new ATOM 0 HB2 PRO A 12 6.640 -10.413 7.981 1.00 0.00 H new ATOM 0 HB3 PRO A 12 6.613 -11.762 6.863 1.00 0.00 H new ATOM 0 HG2 PRO A 12 7.879 -9.050 6.526 1.00 0.00 H new ATOM 0 HG3 PRO A 12 8.523 -10.625 6.107 1.00 0.00 H new ATOM 0 HD2 PRO A 12 7.420 -8.990 4.229 1.00 0.00 H new ATOM 0 HD3 PRO A 12 7.317 -10.734 4.097 1.00 0.00 H new ATOM 135 N ILE A 13 5.508 -7.869 7.084 1.00 0.00 N ATOM 136 CA ILE A 13 5.142 -6.647 7.791 1.00 0.00 C ATOM 137 C ILE A 13 5.495 -5.411 6.971 1.00 0.00 C ATOM 138 O ILE A 13 6.228 -5.496 5.985 1.00 0.00 O ATOM 139 CB ILE A 13 5.842 -6.558 9.160 1.00 0.00 C ATOM 140 CG1 ILE A 13 5.251 -5.414 9.986 1.00 0.00 C ATOM 141 CG2 ILE A 13 7.340 -6.368 8.977 1.00 0.00 C ATOM 142 CD1 ILE A 13 5.368 -5.624 11.479 1.00 0.00 C ATOM 0 H ILE A 13 6.389 -7.814 6.574 1.00 0.00 H new ATOM 0 HA ILE A 13 4.063 -6.682 7.945 1.00 0.00 H new ATOM 0 HB ILE A 13 5.677 -7.492 9.698 1.00 0.00 H new ATOM 0 HG12 ILE A 13 5.754 -4.485 9.717 1.00 0.00 H new ATOM 0 HG13 ILE A 13 4.199 -5.294 9.725 1.00 0.00 H new ATOM 0 HG21 ILE A 13 7.821 -6.307 9.953 1.00 0.00 H new ATOM 0 HG22 ILE A 13 7.749 -7.213 8.423 1.00 0.00 H new ATOM 0 HG23 ILE A 13 7.525 -5.448 8.423 1.00 0.00 H new ATOM 0 HD11 ILE A 13 4.929 -4.774 12.001 1.00 0.00 H new ATOM 0 HD12 ILE A 13 4.841 -6.535 11.761 1.00 0.00 H new ATOM 0 HD13 ILE A 13 6.419 -5.714 11.752 1.00 0.00 H new ATOM 154 N MET A 14 4.970 -4.263 7.386 1.00 0.00 N ATOM 155 CA MET A 14 5.232 -3.008 6.691 1.00 0.00 C ATOM 156 C MET A 14 6.147 -2.110 7.517 1.00 0.00 C ATOM 157 O MET A 14 6.095 -2.118 8.748 1.00 0.00 O ATOM 158 CB MET A 14 3.920 -2.282 6.392 1.00 0.00 C ATOM 159 CG MET A 14 3.166 -2.853 5.201 1.00 0.00 C ATOM 160 SD MET A 14 1.839 -1.772 4.635 1.00 0.00 S ATOM 161 CE MET A 14 2.736 -0.684 3.530 1.00 0.00 C ATOM 0 H MET A 14 4.361 -4.176 8.200 1.00 0.00 H new ATOM 0 HA MET A 14 5.732 -3.240 5.751 1.00 0.00 H new ATOM 0 HB2 MET A 14 3.280 -2.329 7.273 1.00 0.00 H new ATOM 0 HB3 MET A 14 4.131 -1.229 6.207 1.00 0.00 H new ATOM 0 HG2 MET A 14 3.864 -3.024 4.382 1.00 0.00 H new ATOM 0 HG3 MET A 14 2.749 -3.823 5.471 1.00 0.00 H new ATOM 0 HE1 MET A 14 2.049 0.044 3.099 1.00 0.00 H new ATOM 0 HE2 MET A 14 3.515 -0.163 4.086 1.00 0.00 H new ATOM 0 HE3 MET A 14 3.190 -1.271 2.732 1.00 0.00 H new ATOM 171 N HIS A 15 6.984 -1.335 6.834 1.00 0.00 N ATOM 172 CA HIS A 15 7.910 -0.431 7.506 1.00 0.00 C ATOM 173 C HIS A 15 7.833 0.970 6.907 1.00 0.00 C ATOM 174 O HIS A 15 7.897 1.138 5.689 1.00 0.00 O ATOM 175 CB HIS A 15 9.340 -0.963 7.405 1.00 0.00 C ATOM 176 CG HIS A 15 9.567 -2.221 8.186 1.00 0.00 C ATOM 177 ND1 HIS A 15 9.506 -2.274 9.562 1.00 0.00 N ATOM 178 CD2 HIS A 15 9.856 -3.478 7.775 1.00 0.00 C ATOM 179 CE1 HIS A 15 9.748 -3.509 9.964 1.00 0.00 C ATOM 180 NE2 HIS A 15 9.963 -4.260 8.899 1.00 0.00 N ATOM 0 H HIS A 15 7.040 -1.315 5.816 1.00 0.00 H new ATOM 0 HA HIS A 15 7.625 -0.374 8.556 1.00 0.00 H new ATOM 0 HB2 HIS A 15 9.577 -1.148 6.357 1.00 0.00 H new ATOM 0 HB3 HIS A 15 10.030 -0.196 7.758 1.00 0.00 H new ATOM 0 HD2 HIS A 15 9.979 -3.805 6.753 1.00 0.00 H new ATOM 0 HE1 HIS A 15 9.767 -3.847 10.990 1.00 0.00 H new ATOM 0 HE2 HIS A 15 10.174 -5.258 8.910 1.00 0.00 H new ATOM 189 N GLN A 16 7.694 1.971 7.770 1.00 0.00 N ATOM 190 CA GLN A 16 7.606 3.357 7.324 1.00 0.00 C ATOM 191 C GLN A 16 8.970 4.037 7.390 1.00 0.00 C ATOM 192 O GLN A 16 9.745 3.807 8.318 1.00 0.00 O ATOM 193 CB GLN A 16 6.597 4.126 8.178 1.00 0.00 C ATOM 194 CG GLN A 16 6.852 5.625 8.218 1.00 0.00 C ATOM 195 CD GLN A 16 5.581 6.427 8.413 1.00 0.00 C ATOM 196 OE1 GLN A 16 5.144 7.110 7.361 1.00 0.00 O flip ATOM 197 NE2 GLN A 16 4.997 6.434 9.497 1.00 0.00 N flip ATOM 0 H GLN A 16 7.640 1.849 8.781 1.00 0.00 H new ATOM 0 HA GLN A 16 7.269 3.359 6.287 1.00 0.00 H new ATOM 0 HB2 GLN A 16 5.594 3.947 7.791 1.00 0.00 H new ATOM 0 HB3 GLN A 16 6.621 3.734 9.195 1.00 0.00 H new ATOM 0 HG2 GLN A 16 7.547 5.850 9.027 1.00 0.00 H new ATOM 0 HG3 GLN A 16 7.333 5.933 7.290 1.00 0.00 H new ATOM 0 HE21 GLN A 16 5.368 5.895 10.279 1.00 0.00 H new ATOM 0 HE22 GLN A 16 4.143 6.979 9.612 1.00 0.00 H new ATOM 206 N VAL A 17 9.256 4.875 6.399 1.00 0.00 N ATOM 207 CA VAL A 17 10.526 5.590 6.345 1.00 0.00 C ATOM 208 C VAL A 17 10.336 7.071 6.651 1.00 0.00 C ATOM 209 O VAL A 17 11.144 7.678 7.354 1.00 0.00 O ATOM 210 CB VAL A 17 11.193 5.444 4.964 1.00 0.00 C ATOM 211 CG1 VAL A 17 12.521 6.186 4.932 1.00 0.00 C ATOM 212 CG2 VAL A 17 11.386 3.975 4.619 1.00 0.00 C ATOM 0 H VAL A 17 8.626 5.076 5.623 1.00 0.00 H new ATOM 0 HA VAL A 17 11.172 5.146 7.102 1.00 0.00 H new ATOM 0 HB VAL A 17 10.538 5.887 4.214 1.00 0.00 H new ATOM 0 HG11 VAL A 17 12.978 6.072 3.949 1.00 0.00 H new ATOM 0 HG12 VAL A 17 12.352 7.244 5.133 1.00 0.00 H new ATOM 0 HG13 VAL A 17 13.186 5.774 5.691 1.00 0.00 H new ATOM 0 HG21 VAL A 17 11.858 3.890 3.640 1.00 0.00 H new ATOM 0 HG22 VAL A 17 12.021 3.505 5.370 1.00 0.00 H new ATOM 0 HG23 VAL A 17 10.417 3.476 4.599 1.00 0.00 H new ATOM 222 N SER A 18 9.263 7.647 6.119 1.00 0.00 N ATOM 223 CA SER A 18 8.969 9.059 6.333 1.00 0.00 C ATOM 224 C SER A 18 7.503 9.359 6.036 1.00 0.00 C ATOM 225 O SER A 18 6.770 8.503 5.543 1.00 0.00 O ATOM 226 CB SER A 18 9.868 9.929 5.452 1.00 0.00 C ATOM 227 OG SER A 18 11.190 9.973 5.959 1.00 0.00 O ATOM 0 H SER A 18 8.583 7.158 5.537 1.00 0.00 H new ATOM 0 HA SER A 18 9.165 9.291 7.380 1.00 0.00 H new ATOM 0 HB2 SER A 18 9.878 9.535 4.436 1.00 0.00 H new ATOM 0 HB3 SER A 18 9.462 10.939 5.398 1.00 0.00 H new ATOM 0 HG SER A 18 11.272 9.352 6.712 1.00 0.00 H new ATOM 233 N ALA A 19 7.082 10.583 6.340 1.00 0.00 N ATOM 234 CA ALA A 19 5.705 10.998 6.105 1.00 0.00 C ATOM 235 C ALA A 19 5.604 12.514 5.969 1.00 0.00 C ATOM 236 O ALA A 19 6.401 13.254 6.546 1.00 0.00 O ATOM 237 CB ALA A 19 4.806 10.506 7.229 1.00 0.00 C ATOM 0 H ALA A 19 7.676 11.304 6.750 1.00 0.00 H new ATOM 0 HA ALA A 19 5.372 10.552 5.168 1.00 0.00 H new ATOM 0 HB1 ALA A 19 3.780 10.823 7.040 1.00 0.00 H new ATOM 0 HB2 ALA A 19 4.846 9.418 7.277 1.00 0.00 H new ATOM 0 HB3 ALA A 19 5.146 10.924 8.176 1.00 0.00 H new ATOM 243 N THR A 20 4.619 12.970 5.202 1.00 0.00 N ATOM 244 CA THR A 20 4.415 14.397 4.989 1.00 0.00 C ATOM 245 C THR A 20 3.043 14.837 5.488 1.00 0.00 C ATOM 246 O THR A 20 2.300 14.046 6.066 1.00 0.00 O ATOM 247 CB THR A 20 4.550 14.768 3.500 1.00 0.00 C ATOM 248 OG1 THR A 20 4.143 13.666 2.682 1.00 0.00 O ATOM 249 CG2 THR A 20 5.983 15.152 3.165 1.00 0.00 C ATOM 0 H THR A 20 3.950 12.371 4.718 1.00 0.00 H new ATOM 0 HA THR A 20 5.188 14.915 5.556 1.00 0.00 H new ATOM 0 HB THR A 20 3.906 15.625 3.302 1.00 0.00 H new ATOM 0 HG1 THR A 20 4.926 13.285 2.234 1.00 0.00 H new ATOM 0 HG21 THR A 20 6.053 15.410 2.108 1.00 0.00 H new ATOM 0 HG22 THR A 20 6.280 16.010 3.768 1.00 0.00 H new ATOM 0 HG23 THR A 20 6.644 14.312 3.378 1.00 0.00 H new ATOM 257 N MET A 21 2.714 16.105 5.259 1.00 0.00 N ATOM 258 CA MET A 21 1.430 16.649 5.685 1.00 0.00 C ATOM 259 C MET A 21 0.347 16.358 4.650 1.00 0.00 C ATOM 260 O MET A 21 -0.823 16.189 4.994 1.00 0.00 O ATOM 261 CB MET A 21 1.542 18.157 5.914 1.00 0.00 C ATOM 262 CG MET A 21 2.039 18.526 7.302 1.00 0.00 C ATOM 263 SD MET A 21 1.912 20.293 7.638 1.00 0.00 S ATOM 264 CE MET A 21 0.137 20.485 7.775 1.00 0.00 C ATOM 0 H MET A 21 3.318 16.774 4.781 1.00 0.00 H new ATOM 0 HA MET A 21 1.151 16.167 6.622 1.00 0.00 H new ATOM 0 HB2 MET A 21 2.218 18.580 5.171 1.00 0.00 H new ATOM 0 HB3 MET A 21 0.566 18.614 5.753 1.00 0.00 H new ATOM 0 HG2 MET A 21 1.465 17.976 8.047 1.00 0.00 H new ATOM 0 HG3 MET A 21 3.078 18.214 7.407 1.00 0.00 H new ATOM 0 HE1 MET A 21 -0.097 21.508 8.070 1.00 0.00 H new ATOM 0 HE2 MET A 21 -0.328 20.270 6.813 1.00 0.00 H new ATOM 0 HE3 MET A 21 -0.247 19.794 8.526 1.00 0.00 H new ATOM 274 N ARG A 22 0.745 16.303 3.384 1.00 0.00 N ATOM 275 CA ARG A 22 -0.193 16.034 2.300 1.00 0.00 C ATOM 276 C ARG A 22 0.086 14.676 1.663 1.00 0.00 C ATOM 277 O ARG A 22 -0.558 14.292 0.687 1.00 0.00 O ATOM 278 CB ARG A 22 -0.108 17.134 1.239 1.00 0.00 C ATOM 279 CG ARG A 22 -0.581 18.492 1.730 1.00 0.00 C ATOM 280 CD ARG A 22 -0.468 19.548 0.642 1.00 0.00 C ATOM 281 NE ARG A 22 -1.230 19.188 -0.551 1.00 0.00 N ATOM 282 CZ ARG A 22 -1.467 20.028 -1.553 1.00 0.00 C ATOM 283 NH1 ARG A 22 -1.003 21.269 -1.506 1.00 0.00 N ATOM 284 NH2 ARG A 22 -2.168 19.626 -2.605 1.00 0.00 N ATOM 0 H ARG A 22 1.710 16.441 3.083 1.00 0.00 H new ATOM 0 HA ARG A 22 -1.199 16.019 2.719 1.00 0.00 H new ATOM 0 HB2 ARG A 22 0.924 17.220 0.898 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -0.705 16.841 0.376 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -1.617 18.420 2.062 1.00 0.00 H new ATOM 0 HG3 ARG A 22 0.010 18.794 2.594 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -0.825 20.504 1.026 1.00 0.00 H new ATOM 0 HD3 ARG A 22 0.580 19.683 0.376 1.00 0.00 H new ATOM 0 HE ARG A 22 -1.600 18.240 -0.619 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -0.463 21.581 -0.699 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -1.186 21.912 -2.277 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -2.526 18.672 -2.645 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -2.350 20.271 -3.374 1.00 0.00 H new ATOM 298 N SER A 23 1.052 13.953 2.222 1.00 0.00 N ATOM 299 CA SER A 23 1.419 12.640 1.707 1.00 0.00 C ATOM 300 C SER A 23 2.154 11.826 2.768 1.00 0.00 C ATOM 301 O SER A 23 2.452 12.327 3.853 1.00 0.00 O ATOM 302 CB SER A 23 2.295 12.784 0.461 1.00 0.00 C ATOM 303 OG SER A 23 1.982 13.970 -0.248 1.00 0.00 O ATOM 0 H SER A 23 1.594 14.255 3.032 1.00 0.00 H new ATOM 0 HA SER A 23 0.503 12.113 1.440 1.00 0.00 H new ATOM 0 HB2 SER A 23 3.346 12.796 0.751 1.00 0.00 H new ATOM 0 HB3 SER A 23 2.154 11.920 -0.189 1.00 0.00 H new ATOM 0 HG SER A 23 2.556 14.040 -1.039 1.00 0.00 H new ATOM 309 N ILE A 24 2.444 10.570 2.446 1.00 0.00 N ATOM 310 CA ILE A 24 3.145 9.687 3.370 1.00 0.00 C ATOM 311 C ILE A 24 4.016 8.686 2.620 1.00 0.00 C ATOM 312 O ILE A 24 3.698 8.286 1.499 1.00 0.00 O ATOM 313 CB ILE A 24 2.160 8.919 4.271 1.00 0.00 C ATOM 314 CG1 ILE A 24 1.093 9.867 4.823 1.00 0.00 C ATOM 315 CG2 ILE A 24 2.905 8.234 5.407 1.00 0.00 C ATOM 316 CD1 ILE A 24 -0.060 9.155 5.494 1.00 0.00 C ATOM 0 H ILE A 24 2.204 10.141 1.552 1.00 0.00 H new ATOM 0 HA ILE A 24 3.777 10.320 3.993 1.00 0.00 H new ATOM 0 HB ILE A 24 1.665 8.154 3.673 1.00 0.00 H new ATOM 0 HG12 ILE A 24 1.557 10.545 5.539 1.00 0.00 H new ATOM 0 HG13 ILE A 24 0.706 10.479 4.008 1.00 0.00 H new ATOM 0 HG21 ILE A 24 2.195 7.695 6.035 1.00 0.00 H new ATOM 0 HG22 ILE A 24 3.631 7.532 4.995 1.00 0.00 H new ATOM 0 HG23 ILE A 24 3.424 8.983 6.006 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -0.777 9.889 5.861 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -0.549 8.497 4.775 1.00 0.00 H new ATOM 0 HD13 ILE A 24 0.314 8.564 6.330 1.00 0.00 H new ATOM 328 N THR A 25 5.118 8.283 3.245 1.00 0.00 N ATOM 329 CA THR A 25 6.036 7.328 2.638 1.00 0.00 C ATOM 330 C THR A 25 6.014 5.996 3.379 1.00 0.00 C ATOM 331 O THR A 25 5.833 5.955 4.597 1.00 0.00 O ATOM 332 CB THR A 25 7.478 7.869 2.619 1.00 0.00 C ATOM 333 OG1 THR A 25 7.486 9.229 2.172 1.00 0.00 O ATOM 334 CG2 THR A 25 8.360 7.026 1.710 1.00 0.00 C ATOM 0 H THR A 25 5.396 8.604 4.172 1.00 0.00 H new ATOM 0 HA THR A 25 5.700 7.175 1.612 1.00 0.00 H new ATOM 0 HB THR A 25 7.875 7.819 3.633 1.00 0.00 H new ATOM 0 HG1 THR A 25 8.406 9.566 2.165 1.00 0.00 H new ATOM 0 HG21 THR A 25 9.374 7.427 1.713 1.00 0.00 H new ATOM 0 HG22 THR A 25 8.376 5.997 2.070 1.00 0.00 H new ATOM 0 HG23 THR A 25 7.963 7.049 0.695 1.00 0.00 H new ATOM 342 N LEU A 26 6.201 4.909 2.639 1.00 0.00 N ATOM 343 CA LEU A 26 6.204 3.574 3.227 1.00 0.00 C ATOM 344 C LEU A 26 7.166 2.653 2.483 1.00 0.00 C ATOM 345 O LEU A 26 7.565 2.938 1.354 1.00 0.00 O ATOM 346 CB LEU A 26 4.794 2.983 3.205 1.00 0.00 C ATOM 347 CG LEU A 26 3.667 3.918 3.645 1.00 0.00 C ATOM 348 CD1 LEU A 26 2.319 3.384 3.184 1.00 0.00 C ATOM 349 CD2 LEU A 26 3.682 4.099 5.156 1.00 0.00 C ATOM 0 H LEU A 26 6.353 4.926 1.630 1.00 0.00 H new ATOM 0 HA LEU A 26 6.539 3.660 4.261 1.00 0.00 H new ATOM 0 HB2 LEU A 26 4.581 2.641 2.192 1.00 0.00 H new ATOM 0 HB3 LEU A 26 4.781 2.103 3.848 1.00 0.00 H new ATOM 0 HG LEU A 26 3.827 4.891 3.181 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.529 4.063 3.506 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.310 3.308 2.097 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.150 2.399 3.618 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.873 4.767 5.450 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.547 3.132 5.640 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.636 4.528 5.462 1.00 0.00 H new ATOM 361 N SER A 27 7.532 1.547 3.123 1.00 0.00 N ATOM 362 CA SER A 27 8.448 0.585 2.522 1.00 0.00 C ATOM 363 C SER A 27 8.175 -0.823 3.044 1.00 0.00 C ATOM 364 O SER A 27 7.712 -1.000 4.170 1.00 0.00 O ATOM 365 CB SER A 27 9.897 0.977 2.814 1.00 0.00 C ATOM 366 OG SER A 27 10.803 0.132 2.127 1.00 0.00 O ATOM 0 H SER A 27 7.208 1.295 4.057 1.00 0.00 H new ATOM 0 HA SER A 27 8.288 0.592 1.444 1.00 0.00 H new ATOM 0 HB2 SER A 27 10.064 2.012 2.516 1.00 0.00 H new ATOM 0 HB3 SER A 27 10.083 0.920 3.886 1.00 0.00 H new ATOM 0 HG SER A 27 11.722 0.405 2.329 1.00 0.00 H new ATOM 372 N TRP A 28 8.466 -1.820 2.216 1.00 0.00 N ATOM 373 CA TRP A 28 8.253 -3.213 2.592 1.00 0.00 C ATOM 374 C TRP A 28 9.315 -4.114 1.971 1.00 0.00 C ATOM 375 O TRP A 28 9.774 -3.890 0.851 1.00 0.00 O ATOM 376 CB TRP A 28 6.860 -3.672 2.159 1.00 0.00 C ATOM 377 CG TRP A 28 6.565 -3.394 0.716 1.00 0.00 C ATOM 378 CD1 TRP A 28 6.744 -4.245 -0.336 1.00 0.00 C ATOM 379 CD2 TRP A 28 6.040 -2.180 0.168 1.00 0.00 C ATOM 380 NE1 TRP A 28 6.363 -3.634 -1.506 1.00 0.00 N ATOM 381 CE2 TRP A 28 5.926 -2.366 -1.224 1.00 0.00 C ATOM 382 CE3 TRP A 28 5.653 -0.954 0.716 1.00 0.00 C ATOM 383 CZ2 TRP A 28 5.443 -1.372 -2.071 1.00 0.00 C ATOM 384 CZ3 TRP A 28 5.174 0.031 -0.126 1.00 0.00 C ATOM 385 CH2 TRP A 28 5.072 -0.182 -1.507 1.00 0.00 C ATOM 0 H TRP A 28 8.850 -1.690 1.280 1.00 0.00 H new ATOM 0 HA TRP A 28 8.331 -3.286 3.677 1.00 0.00 H new ATOM 0 HB2 TRP A 28 6.765 -4.742 2.342 1.00 0.00 H new ATOM 0 HB3 TRP A 28 6.113 -3.175 2.778 1.00 0.00 H new ATOM 0 HD1 TRP A 28 7.129 -5.251 -0.260 1.00 0.00 H new ATOM 0 HE1 TRP A 28 6.399 -4.056 -2.434 1.00 0.00 H new ATOM 0 HE3 TRP A 28 5.727 -0.780 1.779 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 5.364 -1.535 -3.136 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 4.873 0.982 0.288 1.00 0.00 H new ATOM 0 HH2 TRP A 28 4.693 0.608 -2.138 1.00 0.00 H new ATOM 396 N PRO A 29 9.715 -5.157 2.713 1.00 0.00 N ATOM 397 CA PRO A 29 10.728 -6.112 2.254 1.00 0.00 C ATOM 398 C PRO A 29 10.221 -6.991 1.116 1.00 0.00 C ATOM 399 O PRO A 29 9.019 -7.223 0.987 1.00 0.00 O ATOM 400 CB PRO A 29 11.007 -6.958 3.499 1.00 0.00 C ATOM 401 CG PRO A 29 9.763 -6.859 4.312 1.00 0.00 C ATOM 402 CD PRO A 29 9.210 -5.484 4.057 1.00 0.00 C ATOM 0 HA PRO A 29 11.610 -5.611 1.855 1.00 0.00 H new ATOM 0 HB2 PRO A 29 11.225 -7.992 3.234 1.00 0.00 H new ATOM 0 HB3 PRO A 29 11.870 -6.581 4.048 1.00 0.00 H new ATOM 0 HG2 PRO A 29 9.046 -7.628 4.023 1.00 0.00 H new ATOM 0 HG3 PRO A 29 9.976 -7.004 5.371 1.00 0.00 H new ATOM 0 HD2 PRO A 29 8.121 -5.477 4.090 1.00 0.00 H new ATOM 0 HD3 PRO A 29 9.556 -4.767 4.802 1.00 0.00 H new ATOM 410 N GLN A 30 11.145 -7.478 0.294 1.00 0.00 N ATOM 411 CA GLN A 30 10.790 -8.332 -0.834 1.00 0.00 C ATOM 412 C GLN A 30 10.592 -9.775 -0.383 1.00 0.00 C ATOM 413 O GLN A 30 11.386 -10.328 0.379 1.00 0.00 O ATOM 414 CB GLN A 30 11.874 -8.266 -1.911 1.00 0.00 C ATOM 415 CG GLN A 30 11.553 -9.089 -3.148 1.00 0.00 C ATOM 416 CD GLN A 30 12.712 -9.153 -4.123 1.00 0.00 C ATOM 417 OE1 GLN A 30 12.753 -8.412 -5.106 1.00 0.00 O ATOM 418 NE2 GLN A 30 13.661 -10.042 -3.857 1.00 0.00 N ATOM 0 H GLN A 30 12.144 -7.296 0.388 1.00 0.00 H new ATOM 0 HA GLN A 30 9.851 -7.969 -1.251 1.00 0.00 H new ATOM 0 HB2 GLN A 30 12.020 -7.226 -2.204 1.00 0.00 H new ATOM 0 HB3 GLN A 30 12.817 -8.614 -1.488 1.00 0.00 H new ATOM 0 HG2 GLN A 30 11.281 -10.100 -2.846 1.00 0.00 H new ATOM 0 HG3 GLN A 30 10.685 -8.661 -3.649 1.00 0.00 H new ATOM 0 HE21 GLN A 30 13.586 -10.636 -3.031 1.00 0.00 H new ATOM 0 HE22 GLN A 30 14.465 -10.131 -4.479 1.00 0.00 H new ATOM 427 N PRO A 31 9.508 -10.402 -0.863 1.00 0.00 N ATOM 428 CA PRO A 31 9.180 -11.790 -0.522 1.00 0.00 C ATOM 429 C PRO A 31 10.153 -12.785 -1.146 1.00 0.00 C ATOM 430 O PRO A 31 10.863 -12.459 -2.097 1.00 0.00 O ATOM 431 CB PRO A 31 7.777 -11.976 -1.104 1.00 0.00 C ATOM 432 CG PRO A 31 7.691 -10.982 -2.211 1.00 0.00 C ATOM 433 CD PRO A 31 8.518 -9.805 -1.775 1.00 0.00 C ATOM 0 HA PRO A 31 9.238 -11.971 0.551 1.00 0.00 H new ATOM 0 HB2 PRO A 31 7.633 -12.992 -1.472 1.00 0.00 H new ATOM 0 HB3 PRO A 31 7.009 -11.798 -0.351 1.00 0.00 H new ATOM 0 HG2 PRO A 31 8.070 -11.402 -3.143 1.00 0.00 H new ATOM 0 HG3 PRO A 31 6.657 -10.687 -2.392 1.00 0.00 H new ATOM 0 HD2 PRO A 31 8.997 -9.315 -2.622 1.00 0.00 H new ATOM 0 HD3 PRO A 31 7.911 -9.052 -1.272 1.00 0.00 H new ATOM 441 N GLU A 32 10.179 -13.999 -0.606 1.00 0.00 N ATOM 442 CA GLU A 32 11.065 -15.041 -1.111 1.00 0.00 C ATOM 443 C GLU A 32 10.294 -16.046 -1.962 1.00 0.00 C ATOM 444 O GLU A 32 10.883 -16.802 -2.734 1.00 0.00 O ATOM 445 CB GLU A 32 11.754 -15.762 0.049 1.00 0.00 C ATOM 446 CG GLU A 32 10.788 -16.320 1.080 1.00 0.00 C ATOM 447 CD GLU A 32 11.496 -16.946 2.265 1.00 0.00 C ATOM 448 OE1 GLU A 32 12.260 -16.231 2.946 1.00 0.00 O ATOM 449 OE2 GLU A 32 11.285 -18.152 2.513 1.00 0.00 O ATOM 0 H GLU A 32 9.597 -14.285 0.181 1.00 0.00 H new ATOM 0 HA GLU A 32 11.822 -14.567 -1.736 1.00 0.00 H new ATOM 0 HB2 GLU A 32 12.358 -16.577 -0.349 1.00 0.00 H new ATOM 0 HB3 GLU A 32 12.437 -15.070 0.541 1.00 0.00 H new ATOM 0 HG2 GLU A 32 10.137 -15.520 1.432 1.00 0.00 H new ATOM 0 HG3 GLU A 32 10.150 -17.066 0.607 1.00 0.00 H new ATOM 456 N GLN A 33 8.973 -16.047 -1.814 1.00 0.00 N ATOM 457 CA GLN A 33 8.121 -16.959 -2.568 1.00 0.00 C ATOM 458 C GLN A 33 7.146 -16.189 -3.452 1.00 0.00 C ATOM 459 O GLN A 33 5.929 -16.349 -3.363 1.00 0.00 O ATOM 460 CB GLN A 33 7.350 -17.875 -1.615 1.00 0.00 C ATOM 461 CG GLN A 33 8.074 -19.174 -1.300 1.00 0.00 C ATOM 462 CD GLN A 33 9.372 -18.951 -0.550 1.00 0.00 C ATOM 463 OE1 GLN A 33 10.382 -18.559 -1.136 1.00 0.00 O ATOM 464 NE2 GLN A 33 9.353 -19.200 0.754 1.00 0.00 N ATOM 0 H GLN A 33 8.470 -15.427 -1.179 1.00 0.00 H new ATOM 0 HA GLN A 33 8.760 -17.567 -3.208 1.00 0.00 H new ATOM 0 HB2 GLN A 33 7.160 -17.340 -0.685 1.00 0.00 H new ATOM 0 HB3 GLN A 33 6.379 -18.107 -2.053 1.00 0.00 H new ATOM 0 HG2 GLN A 33 7.421 -19.815 -0.707 1.00 0.00 H new ATOM 0 HG3 GLN A 33 8.282 -19.704 -2.229 1.00 0.00 H new ATOM 0 HE21 GLN A 33 8.494 -19.523 1.199 1.00 0.00 H new ATOM 0 HE22 GLN A 33 10.197 -19.068 1.311 1.00 0.00 H new ATOM 473 N PRO A 34 7.692 -15.331 -4.327 1.00 0.00 N ATOM 474 CA PRO A 34 6.888 -14.518 -5.245 1.00 0.00 C ATOM 475 C PRO A 34 6.224 -15.356 -6.332 1.00 0.00 C ATOM 476 O PRO A 34 5.506 -14.832 -7.182 1.00 0.00 O ATOM 477 CB PRO A 34 7.911 -13.560 -5.859 1.00 0.00 C ATOM 478 CG PRO A 34 9.213 -14.276 -5.751 1.00 0.00 C ATOM 479 CD PRO A 34 9.135 -15.088 -4.488 1.00 0.00 C ATOM 0 HA PRO A 34 6.067 -14.016 -4.732 1.00 0.00 H new ATOM 0 HB2 PRO A 34 7.668 -13.334 -6.897 1.00 0.00 H new ATOM 0 HB3 PRO A 34 7.936 -12.611 -5.324 1.00 0.00 H new ATOM 0 HG2 PRO A 34 9.379 -14.917 -6.617 1.00 0.00 H new ATOM 0 HG3 PRO A 34 10.044 -13.571 -5.711 1.00 0.00 H new ATOM 0 HD2 PRO A 34 9.692 -16.021 -4.575 1.00 0.00 H new ATOM 0 HD3 PRO A 34 9.549 -14.548 -3.637 1.00 0.00 H new ATOM 487 N ASN A 35 6.468 -16.662 -6.297 1.00 0.00 N ATOM 488 CA ASN A 35 5.893 -17.574 -7.280 1.00 0.00 C ATOM 489 C ASN A 35 6.003 -16.996 -8.688 1.00 0.00 C ATOM 490 O ASN A 35 5.104 -17.162 -9.510 1.00 0.00 O ATOM 491 CB ASN A 35 4.427 -17.858 -6.946 1.00 0.00 C ATOM 492 CG ASN A 35 4.275 -18.840 -5.801 1.00 0.00 C ATOM 493 OD1 ASN A 35 3.897 -19.994 -6.004 1.00 0.00 O ATOM 494 ND2 ASN A 35 4.570 -18.386 -4.589 1.00 0.00 N ATOM 0 H ASN A 35 7.060 -17.113 -5.599 1.00 0.00 H new ATOM 0 HA ASN A 35 6.454 -18.508 -7.245 1.00 0.00 H new ATOM 0 HB2 ASN A 35 3.928 -16.924 -6.688 1.00 0.00 H new ATOM 0 HB3 ASN A 35 3.926 -18.254 -7.829 1.00 0.00 H new ATOM 0 HD21 ASN A 35 4.487 -19.001 -3.780 1.00 0.00 H new ATOM 0 HD22 ASN A 35 4.880 -17.422 -4.467 1.00 0.00 H new ATOM 501 N GLY A 36 7.113 -16.315 -8.957 1.00 0.00 N ATOM 502 CA GLY A 36 7.321 -15.723 -10.266 1.00 0.00 C ATOM 503 C GLY A 36 7.869 -14.312 -10.183 1.00 0.00 C ATOM 504 O GLY A 36 7.770 -13.661 -9.143 1.00 0.00 O ATOM 0 H GLY A 36 7.871 -16.163 -8.292 1.00 0.00 H new ATOM 0 HA2 GLY A 36 8.011 -16.344 -10.837 1.00 0.00 H new ATOM 0 HA3 GLY A 36 6.377 -15.711 -10.810 1.00 0.00 H new ATOM 508 N ILE A 37 8.450 -13.840 -11.281 1.00 0.00 N ATOM 509 CA ILE A 37 9.016 -12.497 -11.328 1.00 0.00 C ATOM 510 C ILE A 37 7.972 -11.448 -10.960 1.00 0.00 C ATOM 511 O ILE A 37 7.087 -11.132 -11.755 1.00 0.00 O ATOM 512 CB ILE A 37 9.583 -12.174 -12.722 1.00 0.00 C ATOM 513 CG1 ILE A 37 10.692 -13.162 -13.088 1.00 0.00 C ATOM 514 CG2 ILE A 37 10.105 -10.745 -12.763 1.00 0.00 C ATOM 515 CD1 ILE A 37 10.835 -13.386 -14.577 1.00 0.00 C ATOM 0 H ILE A 37 8.541 -14.367 -12.149 1.00 0.00 H new ATOM 0 HA ILE A 37 9.827 -12.470 -10.600 1.00 0.00 H new ATOM 0 HB ILE A 37 8.782 -12.269 -13.455 1.00 0.00 H new ATOM 0 HG12 ILE A 37 11.639 -12.796 -12.691 1.00 0.00 H new ATOM 0 HG13 ILE A 37 10.491 -14.117 -12.603 1.00 0.00 H new ATOM 0 HG21 ILE A 37 10.503 -10.531 -13.755 1.00 0.00 H new ATOM 0 HG22 ILE A 37 9.292 -10.054 -12.542 1.00 0.00 H new ATOM 0 HG23 ILE A 37 10.895 -10.625 -12.022 1.00 0.00 H new ATOM 0 HD11 ILE A 37 11.640 -14.097 -14.762 1.00 0.00 H new ATOM 0 HD12 ILE A 37 9.901 -13.782 -14.977 1.00 0.00 H new ATOM 0 HD13 ILE A 37 11.067 -12.440 -15.067 1.00 0.00 H new ATOM 527 N ILE A 38 8.084 -10.909 -9.750 1.00 0.00 N ATOM 528 CA ILE A 38 7.152 -9.893 -9.278 1.00 0.00 C ATOM 529 C ILE A 38 7.106 -8.703 -10.232 1.00 0.00 C ATOM 530 O ILE A 38 8.078 -7.957 -10.358 1.00 0.00 O ATOM 531 CB ILE A 38 7.528 -9.394 -7.871 1.00 0.00 C ATOM 532 CG1 ILE A 38 7.621 -10.570 -6.897 1.00 0.00 C ATOM 533 CG2 ILE A 38 6.512 -8.373 -7.381 1.00 0.00 C ATOM 534 CD1 ILE A 38 8.230 -10.202 -5.562 1.00 0.00 C ATOM 0 H ILE A 38 8.811 -11.159 -9.079 1.00 0.00 H new ATOM 0 HA ILE A 38 6.169 -10.362 -9.237 1.00 0.00 H new ATOM 0 HB ILE A 38 8.504 -8.911 -7.922 1.00 0.00 H new ATOM 0 HG12 ILE A 38 6.622 -10.975 -6.732 1.00 0.00 H new ATOM 0 HG13 ILE A 38 8.215 -11.362 -7.352 1.00 0.00 H new ATOM 0 HG21 ILE A 38 6.792 -8.030 -6.385 1.00 0.00 H new ATOM 0 HG22 ILE A 38 6.491 -7.524 -8.064 1.00 0.00 H new ATOM 0 HG23 ILE A 38 5.524 -8.832 -7.342 1.00 0.00 H new ATOM 0 HD11 ILE A 38 8.264 -11.084 -4.922 1.00 0.00 H new ATOM 0 HD12 ILE A 38 9.241 -9.825 -5.715 1.00 0.00 H new ATOM 0 HD13 ILE A 38 7.624 -9.432 -5.086 1.00 0.00 H new ATOM 546 N LEU A 39 5.971 -8.531 -10.900 1.00 0.00 N ATOM 547 CA LEU A 39 5.797 -7.431 -11.842 1.00 0.00 C ATOM 548 C LEU A 39 5.767 -6.091 -11.114 1.00 0.00 C ATOM 549 O LEU A 39 6.626 -5.236 -11.330 1.00 0.00 O ATOM 550 CB LEU A 39 4.507 -7.618 -12.642 1.00 0.00 C ATOM 551 CG LEU A 39 4.416 -8.894 -13.480 1.00 0.00 C ATOM 552 CD1 LEU A 39 2.968 -9.206 -13.822 1.00 0.00 C ATOM 553 CD2 LEU A 39 5.249 -8.761 -14.747 1.00 0.00 C ATOM 0 H LEU A 39 5.157 -9.139 -10.807 1.00 0.00 H new ATOM 0 HA LEU A 39 6.645 -7.433 -12.526 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.667 -7.603 -11.948 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.387 -6.762 -13.306 1.00 0.00 H new ATOM 0 HG LEU A 39 4.815 -9.721 -12.892 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.923 -10.117 -14.419 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.399 -9.346 -12.903 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.542 -8.379 -14.390 1.00 0.00 H new ATOM 0 HD21 LEU A 39 5.172 -9.678 -15.331 1.00 0.00 H new ATOM 0 HD22 LEU A 39 4.881 -7.923 -15.338 1.00 0.00 H new ATOM 0 HD23 LEU A 39 6.291 -8.587 -14.480 1.00 0.00 H new ATOM 565 N ASP A 40 4.774 -5.915 -10.249 1.00 0.00 N ATOM 566 CA ASP A 40 4.634 -4.681 -9.486 1.00 0.00 C ATOM 567 C ASP A 40 3.911 -4.936 -8.167 1.00 0.00 C ATOM 568 O ASP A 40 3.503 -6.062 -7.879 1.00 0.00 O ATOM 569 CB ASP A 40 3.875 -3.634 -10.303 1.00 0.00 C ATOM 570 CG ASP A 40 4.484 -3.417 -11.674 1.00 0.00 C ATOM 571 OD1 ASP A 40 4.336 -4.307 -12.537 1.00 0.00 O ATOM 572 OD2 ASP A 40 5.110 -2.356 -11.884 1.00 0.00 O ATOM 0 H ASP A 40 4.054 -6.612 -10.059 1.00 0.00 H new ATOM 0 HA ASP A 40 5.633 -4.305 -9.265 1.00 0.00 H new ATOM 0 HB2 ASP A 40 2.837 -3.947 -10.415 1.00 0.00 H new ATOM 0 HB3 ASP A 40 3.866 -2.689 -9.759 1.00 0.00 H new ATOM 577 N TYR A 41 3.758 -3.885 -7.369 1.00 0.00 N ATOM 578 CA TYR A 41 3.087 -3.996 -6.079 1.00 0.00 C ATOM 579 C TYR A 41 1.918 -3.021 -5.986 1.00 0.00 C ATOM 580 O TYR A 41 2.086 -1.815 -6.168 1.00 0.00 O ATOM 581 CB TYR A 41 4.077 -3.733 -4.942 1.00 0.00 C ATOM 582 CG TYR A 41 5.349 -4.543 -5.047 1.00 0.00 C ATOM 583 CD1 TYR A 41 6.360 -4.175 -5.926 1.00 0.00 C ATOM 584 CD2 TYR A 41 5.540 -5.678 -4.268 1.00 0.00 C ATOM 585 CE1 TYR A 41 7.524 -4.912 -6.026 1.00 0.00 C ATOM 586 CE2 TYR A 41 6.701 -6.421 -4.360 1.00 0.00 C ATOM 587 CZ TYR A 41 7.690 -6.034 -5.240 1.00 0.00 C ATOM 588 OH TYR A 41 8.847 -6.772 -5.336 1.00 0.00 O ATOM 0 H TYR A 41 4.089 -2.947 -7.593 1.00 0.00 H new ATOM 0 HA TYR A 41 2.698 -5.010 -5.987 1.00 0.00 H new ATOM 0 HB2 TYR A 41 4.331 -2.673 -4.931 1.00 0.00 H new ATOM 0 HB3 TYR A 41 3.592 -3.955 -3.991 1.00 0.00 H new ATOM 0 HD1 TYR A 41 6.234 -3.297 -6.542 1.00 0.00 H new ATOM 0 HD2 TYR A 41 4.767 -5.985 -3.579 1.00 0.00 H new ATOM 0 HE1 TYR A 41 8.299 -4.612 -6.715 1.00 0.00 H new ATOM 0 HE2 TYR A 41 6.833 -7.300 -3.746 1.00 0.00 H new ATOM 0 HH TYR A 41 9.555 -6.340 -4.814 1.00 0.00 H new ATOM 598 N GLU A 42 0.733 -3.552 -5.702 1.00 0.00 N ATOM 599 CA GLU A 42 -0.465 -2.729 -5.586 1.00 0.00 C ATOM 600 C GLU A 42 -0.666 -2.262 -4.147 1.00 0.00 C ATOM 601 O GLU A 42 -0.528 -3.044 -3.205 1.00 0.00 O ATOM 602 CB GLU A 42 -1.694 -3.509 -6.057 1.00 0.00 C ATOM 603 CG GLU A 42 -2.833 -2.621 -6.531 1.00 0.00 C ATOM 604 CD GLU A 42 -2.438 -1.739 -7.699 1.00 0.00 C ATOM 605 OE1 GLU A 42 -1.525 -2.131 -8.456 1.00 0.00 O ATOM 606 OE2 GLU A 42 -3.040 -0.656 -7.856 1.00 0.00 O ATOM 0 H GLU A 42 0.577 -4.548 -5.548 1.00 0.00 H new ATOM 0 HA GLU A 42 -0.336 -1.852 -6.220 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -1.402 -4.175 -6.869 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -2.050 -4.138 -5.241 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.678 -3.245 -6.821 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.168 -1.994 -5.705 1.00 0.00 H new ATOM 613 N ILE A 43 -0.992 -0.984 -3.986 1.00 0.00 N ATOM 614 CA ILE A 43 -1.213 -0.414 -2.663 1.00 0.00 C ATOM 615 C ILE A 43 -2.607 0.193 -2.552 1.00 0.00 C ATOM 616 O ILE A 43 -3.009 1.009 -3.382 1.00 0.00 O ATOM 617 CB ILE A 43 -0.167 0.668 -2.335 1.00 0.00 C ATOM 618 CG1 ILE A 43 1.211 0.033 -2.137 1.00 0.00 C ATOM 619 CG2 ILE A 43 -0.581 1.446 -1.095 1.00 0.00 C ATOM 620 CD1 ILE A 43 1.963 -0.194 -3.430 1.00 0.00 C ATOM 0 H ILE A 43 -1.109 -0.324 -4.755 1.00 0.00 H new ATOM 0 HA ILE A 43 -1.117 -1.230 -1.947 1.00 0.00 H new ATOM 0 HB ILE A 43 -0.109 1.362 -3.173 1.00 0.00 H new ATOM 0 HG12 ILE A 43 1.807 0.673 -1.487 1.00 0.00 H new ATOM 0 HG13 ILE A 43 1.092 -0.921 -1.623 1.00 0.00 H new ATOM 0 HG21 ILE A 43 0.168 2.207 -0.876 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -1.544 1.925 -1.271 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.664 0.764 -0.249 1.00 0.00 H new ATOM 0 HD11 ILE A 43 2.931 -0.647 -3.213 1.00 0.00 H new ATOM 0 HD12 ILE A 43 1.387 -0.859 -4.074 1.00 0.00 H new ATOM 0 HD13 ILE A 43 2.114 0.760 -3.936 1.00 0.00 H new ATOM 632 N ARG A 44 -3.341 -0.209 -1.519 1.00 0.00 N ATOM 633 CA ARG A 44 -4.691 0.295 -1.299 1.00 0.00 C ATOM 634 C ARG A 44 -4.759 1.126 -0.021 1.00 0.00 C ATOM 635 O ARG A 44 -4.420 0.647 1.062 1.00 0.00 O ATOM 636 CB ARG A 44 -5.685 -0.865 -1.220 1.00 0.00 C ATOM 637 CG ARG A 44 -7.136 -0.419 -1.137 1.00 0.00 C ATOM 638 CD ARG A 44 -8.089 -1.593 -1.297 1.00 0.00 C ATOM 639 NE ARG A 44 -7.946 -2.565 -0.216 1.00 0.00 N ATOM 640 CZ ARG A 44 -8.866 -3.476 0.079 1.00 0.00 C ATOM 641 NH1 ARG A 44 -9.990 -3.540 -0.622 1.00 0.00 N ATOM 642 NH2 ARG A 44 -8.663 -4.327 1.077 1.00 0.00 N ATOM 0 H ARG A 44 -3.023 -0.882 -0.822 1.00 0.00 H new ATOM 0 HA ARG A 44 -4.956 0.934 -2.142 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -5.559 -1.501 -2.096 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -5.451 -1.475 -0.347 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -7.314 0.068 -0.178 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -7.335 0.321 -1.912 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -9.115 -1.226 -1.321 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -7.903 -2.083 -2.253 1.00 0.00 H new ATOM 0 HE ARG A 44 -7.093 -2.543 0.343 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -10.150 -2.888 -1.390 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -10.695 -4.241 -0.393 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -7.800 -4.282 1.618 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -9.370 -5.026 1.303 1.00 0.00 H new ATOM 656 N TYR A 45 -5.199 2.372 -0.154 1.00 0.00 N ATOM 657 CA TYR A 45 -5.309 3.270 0.989 1.00 0.00 C ATOM 658 C TYR A 45 -6.686 3.925 1.038 1.00 0.00 C ATOM 659 O TYR A 45 -7.250 4.286 0.005 1.00 0.00 O ATOM 660 CB TYR A 45 -4.222 4.345 0.926 1.00 0.00 C ATOM 661 CG TYR A 45 -4.329 5.243 -0.286 1.00 0.00 C ATOM 662 CD1 TYR A 45 -3.829 4.841 -1.518 1.00 0.00 C ATOM 663 CD2 TYR A 45 -4.927 6.494 -0.198 1.00 0.00 C ATOM 664 CE1 TYR A 45 -3.923 5.657 -2.629 1.00 0.00 C ATOM 665 CE2 TYR A 45 -5.027 7.316 -1.304 1.00 0.00 C ATOM 666 CZ TYR A 45 -4.524 6.894 -2.516 1.00 0.00 C ATOM 667 OH TYR A 45 -4.620 7.711 -3.619 1.00 0.00 O ATOM 0 H TYR A 45 -5.485 2.783 -1.042 1.00 0.00 H new ATOM 0 HA TYR A 45 -5.176 2.680 1.896 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -4.275 4.956 1.827 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -3.245 3.862 0.925 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -3.358 3.873 -1.609 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -5.320 6.829 0.750 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -3.529 5.329 -3.579 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -5.497 8.285 -1.219 1.00 0.00 H new ATOM 0 HH TYR A 45 -5.071 8.545 -3.370 1.00 0.00 H new ATOM 677 N TYR A 46 -7.220 4.075 2.245 1.00 0.00 N ATOM 678 CA TYR A 46 -8.531 4.685 2.430 1.00 0.00 C ATOM 679 C TYR A 46 -8.672 5.258 3.836 1.00 0.00 C ATOM 680 O TYR A 46 -8.131 4.712 4.797 1.00 0.00 O ATOM 681 CB TYR A 46 -9.635 3.657 2.173 1.00 0.00 C ATOM 682 CG TYR A 46 -9.566 2.454 3.085 1.00 0.00 C ATOM 683 CD1 TYR A 46 -10.190 2.461 4.327 1.00 0.00 C ATOM 684 CD2 TYR A 46 -8.878 1.308 2.705 1.00 0.00 C ATOM 685 CE1 TYR A 46 -10.129 1.364 5.163 1.00 0.00 C ATOM 686 CE2 TYR A 46 -8.812 0.206 3.535 1.00 0.00 C ATOM 687 CZ TYR A 46 -9.439 0.239 4.763 1.00 0.00 C ATOM 688 OH TYR A 46 -9.377 -0.857 5.594 1.00 0.00 O ATOM 0 H TYR A 46 -6.765 3.782 3.110 1.00 0.00 H new ATOM 0 HA TYR A 46 -8.629 5.501 1.714 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -10.605 4.140 2.295 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -9.574 3.322 1.138 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -10.732 3.340 4.644 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -8.386 1.279 1.744 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -10.619 1.387 6.125 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -8.273 -0.676 3.224 1.00 0.00 H new ATOM 0 HH TYR A 46 -8.854 -1.565 5.163 1.00 0.00 H new ATOM 698 N GLU A 47 -9.404 6.363 3.947 1.00 0.00 N ATOM 699 CA GLU A 47 -9.616 7.011 5.236 1.00 0.00 C ATOM 700 C GLU A 47 -10.092 6.005 6.280 1.00 0.00 C ATOM 701 O GLU A 47 -10.955 5.170 6.006 1.00 0.00 O ATOM 702 CB GLU A 47 -10.636 8.143 5.101 1.00 0.00 C ATOM 703 CG GLU A 47 -10.044 9.436 4.564 1.00 0.00 C ATOM 704 CD GLU A 47 -10.018 9.481 3.049 1.00 0.00 C ATOM 705 OE1 GLU A 47 -9.467 8.541 2.438 1.00 0.00 O ATOM 706 OE2 GLU A 47 -10.549 10.454 2.474 1.00 0.00 O ATOM 0 H GLU A 47 -9.859 6.827 3.161 1.00 0.00 H new ATOM 0 HA GLU A 47 -8.664 7.427 5.565 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -11.440 7.819 4.440 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -11.083 8.336 6.076 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -10.624 10.280 4.939 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -9.029 9.552 4.945 1.00 0.00 H new ATOM 713 N LYS A 48 -9.522 6.089 7.477 1.00 0.00 N ATOM 714 CA LYS A 48 -9.887 5.187 8.564 1.00 0.00 C ATOM 715 C LYS A 48 -11.403 5.078 8.694 1.00 0.00 C ATOM 716 O LYS A 48 -11.928 4.028 9.063 1.00 0.00 O ATOM 717 CB LYS A 48 -9.285 5.676 9.883 1.00 0.00 C ATOM 718 CG LYS A 48 -9.542 4.740 11.052 1.00 0.00 C ATOM 719 CD LYS A 48 -8.761 5.162 12.285 1.00 0.00 C ATOM 720 CE LYS A 48 -9.486 4.773 13.564 1.00 0.00 C ATOM 721 NZ LYS A 48 -10.744 5.550 13.746 1.00 0.00 N ATOM 0 H LYS A 48 -8.805 6.773 7.720 1.00 0.00 H new ATOM 0 HA LYS A 48 -9.488 4.199 8.334 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.209 5.801 9.758 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -9.695 6.658 10.118 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -10.607 4.727 11.282 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -9.263 3.724 10.774 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -7.775 4.698 12.269 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -8.606 6.241 12.267 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -9.717 3.708 13.541 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -8.830 4.939 14.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -10.983 5.592 14.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -10.612 6.515 13.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -11.517 5.087 13.226 1.00 0.00 H new ATOM 735 N GLU A 49 -12.099 6.169 8.388 1.00 0.00 N ATOM 736 CA GLU A 49 -13.554 6.193 8.471 1.00 0.00 C ATOM 737 C GLU A 49 -14.181 5.578 7.223 1.00 0.00 C ATOM 738 O GLU A 49 -15.286 5.037 7.272 1.00 0.00 O ATOM 739 CB GLU A 49 -14.053 7.629 8.651 1.00 0.00 C ATOM 740 CG GLU A 49 -13.726 8.220 10.012 1.00 0.00 C ATOM 741 CD GLU A 49 -14.704 9.301 10.429 1.00 0.00 C ATOM 742 OE1 GLU A 49 -15.913 9.144 10.158 1.00 0.00 O ATOM 743 OE2 GLU A 49 -14.260 10.304 11.026 1.00 0.00 O ATOM 0 H GLU A 49 -11.679 7.046 8.081 1.00 0.00 H new ATOM 0 HA GLU A 49 -13.853 5.601 9.336 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -13.614 8.257 7.876 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -15.133 7.651 8.505 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -13.728 7.426 10.759 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -12.718 8.635 9.991 1.00 0.00 H new ATOM 750 N HIS A 50 -13.468 5.666 6.105 1.00 0.00 N ATOM 751 CA HIS A 50 -13.953 5.119 4.844 1.00 0.00 C ATOM 752 C HIS A 50 -13.823 3.599 4.825 1.00 0.00 C ATOM 753 O HIS A 50 -13.154 3.013 5.675 1.00 0.00 O ATOM 754 CB HIS A 50 -13.181 5.723 3.670 1.00 0.00 C ATOM 755 CG HIS A 50 -13.793 6.980 3.134 1.00 0.00 C ATOM 756 ND1 HIS A 50 -13.791 7.306 1.795 1.00 0.00 N ATOM 757 CD2 HIS A 50 -14.431 7.993 3.766 1.00 0.00 C ATOM 758 CE1 HIS A 50 -14.400 8.466 1.625 1.00 0.00 C ATOM 759 NE2 HIS A 50 -14.798 8.904 2.806 1.00 0.00 N ATOM 0 H HIS A 50 -12.552 6.111 6.047 1.00 0.00 H new ATOM 0 HA HIS A 50 -15.007 5.377 4.747 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -12.159 5.933 3.987 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -13.121 4.987 2.868 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -14.617 8.070 4.827 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -14.547 8.970 0.681 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -15.297 9.777 2.977 1.00 0.00 H new ATOM 768 N ASN A 51 -14.467 2.966 3.850 1.00 0.00 N ATOM 769 CA ASN A 51 -14.424 1.514 3.721 1.00 0.00 C ATOM 770 C ASN A 51 -13.735 1.103 2.423 1.00 0.00 C ATOM 771 O ASN A 51 -13.440 1.942 1.574 1.00 0.00 O ATOM 772 CB ASN A 51 -15.840 0.935 3.766 1.00 0.00 C ATOM 773 CG ASN A 51 -16.485 1.091 5.129 1.00 0.00 C ATOM 774 OD1 ASN A 51 -17.330 1.964 5.332 1.00 0.00 O ATOM 775 ND2 ASN A 51 -16.089 0.245 6.072 1.00 0.00 N ATOM 0 H ASN A 51 -15.025 3.436 3.137 1.00 0.00 H new ATOM 0 HA ASN A 51 -13.849 1.117 4.558 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -16.456 1.431 3.016 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -15.806 -0.122 3.502 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -16.488 0.303 7.009 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -15.386 -0.463 5.860 1.00 0.00 H new ATOM 782 N GLU A 52 -13.484 -0.195 2.279 1.00 0.00 N ATOM 783 CA GLU A 52 -12.830 -0.717 1.085 1.00 0.00 C ATOM 784 C GLU A 52 -13.581 -0.296 -0.175 1.00 0.00 C ATOM 785 O GLU A 52 -12.976 0.122 -1.162 1.00 0.00 O ATOM 786 CB GLU A 52 -12.738 -2.242 1.152 1.00 0.00 C ATOM 787 CG GLU A 52 -11.920 -2.752 2.326 1.00 0.00 C ATOM 788 CD GLU A 52 -12.759 -2.975 3.569 1.00 0.00 C ATOM 789 OE1 GLU A 52 -13.976 -3.220 3.427 1.00 0.00 O ATOM 790 OE2 GLU A 52 -12.201 -2.905 4.684 1.00 0.00 O ATOM 0 H GLU A 52 -13.723 -0.903 2.973 1.00 0.00 H new ATOM 0 HA GLU A 52 -11.823 -0.302 1.043 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -13.744 -2.656 1.215 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -12.298 -2.612 0.226 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -11.435 -3.687 2.047 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -11.128 -2.037 2.550 1.00 0.00 H new ATOM 797 N PHE A 53 -14.905 -0.411 -0.133 1.00 0.00 N ATOM 798 CA PHE A 53 -15.740 -0.045 -1.271 1.00 0.00 C ATOM 799 C PHE A 53 -15.215 1.218 -1.947 1.00 0.00 C ATOM 800 O PHE A 53 -14.929 1.222 -3.144 1.00 0.00 O ATOM 801 CB PHE A 53 -17.187 0.168 -0.821 1.00 0.00 C ATOM 802 CG PHE A 53 -17.790 -1.034 -0.153 1.00 0.00 C ATOM 803 CD1 PHE A 53 -17.772 -2.272 -0.776 1.00 0.00 C ATOM 804 CD2 PHE A 53 -18.375 -0.927 1.099 1.00 0.00 C ATOM 805 CE1 PHE A 53 -18.325 -3.380 -0.164 1.00 0.00 C ATOM 806 CE2 PHE A 53 -18.929 -2.032 1.716 1.00 0.00 C ATOM 807 CZ PHE A 53 -18.906 -3.260 1.084 1.00 0.00 C ATOM 0 H PHE A 53 -15.422 -0.755 0.676 1.00 0.00 H new ATOM 0 HA PHE A 53 -15.707 -0.862 -1.992 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -17.225 1.013 -0.133 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -17.793 0.435 -1.687 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -17.320 -2.372 -1.752 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -18.398 0.031 1.598 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -18.303 -4.339 -0.660 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -19.380 -1.936 2.693 1.00 0.00 H new ATOM 0 HZ PHE A 53 -19.341 -4.124 1.564 1.00 0.00 H new ATOM 817 N ASN A 54 -15.091 2.290 -1.171 1.00 0.00 N ATOM 818 CA ASN A 54 -14.602 3.561 -1.694 1.00 0.00 C ATOM 819 C ASN A 54 -13.146 3.787 -1.298 1.00 0.00 C ATOM 820 O ASN A 54 -12.835 4.700 -0.533 1.00 0.00 O ATOM 821 CB ASN A 54 -15.467 4.714 -1.182 1.00 0.00 C ATOM 822 CG ASN A 54 -16.693 4.944 -2.044 1.00 0.00 C ATOM 823 OD1 ASN A 54 -16.583 5.279 -3.223 1.00 0.00 O ATOM 824 ND2 ASN A 54 -17.871 4.763 -1.457 1.00 0.00 N ATOM 0 H ASN A 54 -15.322 2.304 -0.178 1.00 0.00 H new ATOM 0 HA ASN A 54 -14.663 3.526 -2.782 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -15.780 4.504 -0.159 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -14.871 5.626 -1.152 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -18.731 4.902 -1.987 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -17.915 4.485 -0.477 1.00 0.00 H new ATOM 831 N SER A 55 -12.258 2.950 -1.825 1.00 0.00 N ATOM 832 CA SER A 55 -10.835 3.057 -1.524 1.00 0.00 C ATOM 833 C SER A 55 -10.034 3.354 -2.788 1.00 0.00 C ATOM 834 O SER A 55 -10.482 3.077 -3.900 1.00 0.00 O ATOM 835 CB SER A 55 -10.330 1.765 -0.879 1.00 0.00 C ATOM 836 OG SER A 55 -10.406 0.679 -1.786 1.00 0.00 O ATOM 0 H SER A 55 -12.499 2.191 -2.462 1.00 0.00 H new ATOM 0 HA SER A 55 -10.698 3.882 -0.825 1.00 0.00 H new ATOM 0 HB2 SER A 55 -9.299 1.897 -0.551 1.00 0.00 H new ATOM 0 HB3 SER A 55 -10.921 1.543 0.009 1.00 0.00 H new ATOM 0 HG SER A 55 -11.314 0.310 -1.779 1.00 0.00 H new ATOM 842 N SER A 56 -8.845 3.921 -2.607 1.00 0.00 N ATOM 843 CA SER A 56 -7.981 4.260 -3.732 1.00 0.00 C ATOM 844 C SER A 56 -6.785 3.315 -3.803 1.00 0.00 C ATOM 845 O SER A 56 -6.168 3.001 -2.786 1.00 0.00 O ATOM 846 CB SER A 56 -7.497 5.706 -3.613 1.00 0.00 C ATOM 847 OG SER A 56 -8.578 6.616 -3.719 1.00 0.00 O ATOM 0 H SER A 56 -8.458 4.155 -1.693 1.00 0.00 H new ATOM 0 HA SER A 56 -8.561 4.153 -4.649 1.00 0.00 H new ATOM 0 HB2 SER A 56 -6.992 5.846 -2.657 1.00 0.00 H new ATOM 0 HB3 SER A 56 -6.765 5.913 -4.394 1.00 0.00 H new ATOM 0 HG SER A 56 -8.243 7.533 -3.638 1.00 0.00 H new ATOM 853 N MET A 57 -6.464 2.867 -5.012 1.00 0.00 N ATOM 854 CA MET A 57 -5.341 1.959 -5.217 1.00 0.00 C ATOM 855 C MET A 57 -4.327 2.558 -6.185 1.00 0.00 C ATOM 856 O MET A 57 -4.696 3.221 -7.154 1.00 0.00 O ATOM 857 CB MET A 57 -5.836 0.612 -5.747 1.00 0.00 C ATOM 858 CG MET A 57 -6.485 -0.259 -4.683 1.00 0.00 C ATOM 859 SD MET A 57 -7.637 -1.460 -5.377 1.00 0.00 S ATOM 860 CE MET A 57 -6.511 -2.761 -5.875 1.00 0.00 C ATOM 0 H MET A 57 -6.965 3.118 -5.864 1.00 0.00 H new ATOM 0 HA MET A 57 -4.851 1.805 -4.256 1.00 0.00 H new ATOM 0 HB2 MET A 57 -6.554 0.788 -6.548 1.00 0.00 H new ATOM 0 HB3 MET A 57 -4.996 0.072 -6.184 1.00 0.00 H new ATOM 0 HG2 MET A 57 -5.709 -0.785 -4.127 1.00 0.00 H new ATOM 0 HG3 MET A 57 -7.013 0.376 -3.971 1.00 0.00 H new ATOM 0 HE1 MET A 57 -7.080 -3.608 -6.259 1.00 0.00 H new ATOM 0 HE2 MET A 57 -5.846 -2.388 -6.654 1.00 0.00 H new ATOM 0 HE3 MET A 57 -5.921 -3.080 -5.016 1.00 0.00 H new ATOM 870 N ALA A 58 -3.047 2.321 -5.917 1.00 0.00 N ATOM 871 CA ALA A 58 -1.980 2.837 -6.766 1.00 0.00 C ATOM 872 C ALA A 58 -0.949 1.755 -7.069 1.00 0.00 C ATOM 873 O ALA A 58 -0.699 0.874 -6.247 1.00 0.00 O ATOM 874 CB ALA A 58 -1.313 4.035 -6.107 1.00 0.00 C ATOM 0 H ALA A 58 -2.724 1.775 -5.118 1.00 0.00 H new ATOM 0 HA ALA A 58 -2.422 3.156 -7.710 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -0.518 4.410 -6.752 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -2.052 4.821 -5.948 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -0.890 3.734 -5.148 1.00 0.00 H new ATOM 880 N ARG A 59 -0.353 1.828 -8.255 1.00 0.00 N ATOM 881 CA ARG A 59 0.650 0.853 -8.667 1.00 0.00 C ATOM 882 C ARG A 59 2.043 1.285 -8.221 1.00 0.00 C ATOM 883 O ARG A 59 2.310 2.475 -8.049 1.00 0.00 O ATOM 884 CB ARG A 59 0.622 0.672 -10.186 1.00 0.00 C ATOM 885 CG ARG A 59 -0.541 -0.174 -10.678 1.00 0.00 C ATOM 886 CD ARG A 59 -0.900 0.155 -12.118 1.00 0.00 C ATOM 887 NE ARG A 59 -0.092 -0.601 -13.071 1.00 0.00 N ATOM 888 CZ ARG A 59 -0.237 -0.514 -14.388 1.00 0.00 C ATOM 889 NH1 ARG A 59 -1.154 0.291 -14.907 1.00 0.00 N ATOM 890 NH2 ARG A 59 0.537 -1.234 -15.191 1.00 0.00 N ATOM 0 H ARG A 59 -0.547 2.552 -8.947 1.00 0.00 H new ATOM 0 HA ARG A 59 0.414 -0.098 -8.190 1.00 0.00 H new ATOM 0 HB2 ARG A 59 0.572 1.653 -10.659 1.00 0.00 H new ATOM 0 HB3 ARG A 59 1.556 0.211 -10.506 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -0.283 -1.230 -10.599 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -1.408 -0.009 -10.039 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -1.955 -0.060 -12.287 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -0.761 1.222 -12.291 1.00 0.00 H new ATOM 0 HE ARG A 59 0.623 -1.230 -12.705 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -1.751 0.846 -14.294 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -1.262 0.355 -15.919 1.00 0.00 H new ATOM 0 HH21 ARG A 59 1.244 -1.855 -14.796 1.00 0.00 H new ATOM 0 HH22 ARG A 59 0.425 -1.167 -16.203 1.00 0.00 H new ATOM 904 N SER A 60 2.928 0.311 -8.036 1.00 0.00 N ATOM 905 CA SER A 60 4.294 0.590 -7.606 1.00 0.00 C ATOM 906 C SER A 60 5.287 -0.309 -8.335 1.00 0.00 C ATOM 907 O SER A 60 5.126 -1.528 -8.371 1.00 0.00 O ATOM 908 CB SER A 60 4.425 0.393 -6.094 1.00 0.00 C ATOM 909 OG SER A 60 5.665 0.890 -5.621 1.00 0.00 O ATOM 0 H SER A 60 2.724 -0.678 -8.177 1.00 0.00 H new ATOM 0 HA SER A 60 4.522 1.627 -7.851 1.00 0.00 H new ATOM 0 HB2 SER A 60 3.607 0.903 -5.585 1.00 0.00 H new ATOM 0 HB3 SER A 60 4.338 -0.667 -5.853 1.00 0.00 H new ATOM 0 HG SER A 60 6.254 0.140 -5.396 1.00 0.00 H new ATOM 915 N GLN A 61 6.315 0.304 -8.915 1.00 0.00 N ATOM 916 CA GLN A 61 7.335 -0.440 -9.644 1.00 0.00 C ATOM 917 C GLN A 61 8.519 -0.769 -8.741 1.00 0.00 C ATOM 918 O GLN A 61 9.614 -1.069 -9.218 1.00 0.00 O ATOM 919 CB GLN A 61 7.811 0.361 -10.857 1.00 0.00 C ATOM 920 CG GLN A 61 6.747 0.532 -11.930 1.00 0.00 C ATOM 921 CD GLN A 61 7.338 0.794 -13.301 1.00 0.00 C ATOM 922 OE1 GLN A 61 8.488 0.448 -13.571 1.00 0.00 O ATOM 923 NE2 GLN A 61 6.551 1.409 -14.177 1.00 0.00 N ATOM 0 H GLN A 61 6.463 1.313 -8.894 1.00 0.00 H new ATOM 0 HA GLN A 61 6.892 -1.375 -9.986 1.00 0.00 H new ATOM 0 HB2 GLN A 61 8.141 1.345 -10.525 1.00 0.00 H new ATOM 0 HB3 GLN A 61 8.678 -0.136 -11.293 1.00 0.00 H new ATOM 0 HG2 GLN A 61 6.129 -0.365 -11.970 1.00 0.00 H new ATOM 0 HG3 GLN A 61 6.091 1.359 -11.657 1.00 0.00 H new ATOM 0 HE21 GLN A 61 5.604 1.678 -13.911 1.00 0.00 H new ATOM 0 HE22 GLN A 61 6.894 1.612 -15.116 1.00 0.00 H new ATOM 932 N THR A 62 8.292 -0.712 -7.432 1.00 0.00 N ATOM 933 CA THR A 62 9.340 -1.002 -6.462 1.00 0.00 C ATOM 934 C THR A 62 8.748 -1.349 -5.101 1.00 0.00 C ATOM 935 O THR A 62 7.533 -1.310 -4.914 1.00 0.00 O ATOM 936 CB THR A 62 10.303 0.189 -6.301 1.00 0.00 C ATOM 937 OG1 THR A 62 11.183 -0.038 -5.195 1.00 0.00 O ATOM 938 CG2 THR A 62 9.532 1.483 -6.085 1.00 0.00 C ATOM 0 H THR A 62 7.392 -0.468 -7.020 1.00 0.00 H new ATOM 0 HA THR A 62 9.895 -1.859 -6.844 1.00 0.00 H new ATOM 0 HB THR A 62 10.888 0.281 -7.216 1.00 0.00 H new ATOM 0 HG1 THR A 62 11.824 0.700 -5.130 1.00 0.00 H new ATOM 0 HG21 THR A 62 10.233 2.310 -5.974 1.00 0.00 H new ATOM 0 HG22 THR A 62 8.885 1.668 -6.942 1.00 0.00 H new ATOM 0 HG23 THR A 62 8.925 1.399 -5.184 1.00 0.00 H new ATOM 946 N ASN A 63 9.615 -1.689 -4.152 1.00 0.00 N ATOM 947 CA ASN A 63 9.177 -2.043 -2.807 1.00 0.00 C ATOM 948 C ASN A 63 8.986 -0.795 -1.951 1.00 0.00 C ATOM 949 O ASN A 63 9.059 -0.853 -0.723 1.00 0.00 O ATOM 950 CB ASN A 63 10.193 -2.978 -2.147 1.00 0.00 C ATOM 951 CG ASN A 63 9.958 -4.432 -2.506 1.00 0.00 C ATOM 952 OD1 ASN A 63 10.320 -4.881 -3.594 1.00 0.00 O ATOM 953 ND2 ASN A 63 9.349 -5.177 -1.591 1.00 0.00 N ATOM 0 H ASN A 63 10.625 -1.727 -4.290 1.00 0.00 H new ATOM 0 HA ASN A 63 8.219 -2.557 -2.887 1.00 0.00 H new ATOM 0 HB2 ASN A 63 11.199 -2.690 -2.451 1.00 0.00 H new ATOM 0 HB3 ASN A 63 10.141 -2.861 -1.065 1.00 0.00 H new ATOM 0 HD21 ASN A 63 9.164 -6.163 -1.777 1.00 0.00 H new ATOM 0 HD22 ASN A 63 9.066 -4.764 -0.703 1.00 0.00 H new ATOM 960 N THR A 64 8.742 0.335 -2.607 1.00 0.00 N ATOM 961 CA THR A 64 8.542 1.598 -1.908 1.00 0.00 C ATOM 962 C THR A 64 7.600 2.512 -2.683 1.00 0.00 C ATOM 963 O THR A 64 7.806 2.770 -3.868 1.00 0.00 O ATOM 964 CB THR A 64 9.877 2.330 -1.677 1.00 0.00 C ATOM 965 OG1 THR A 64 9.632 3.645 -1.165 1.00 0.00 O ATOM 966 CG2 THR A 64 10.672 2.425 -2.970 1.00 0.00 C ATOM 0 H THR A 64 8.678 0.401 -3.623 1.00 0.00 H new ATOM 0 HA THR A 64 8.097 1.358 -0.942 1.00 0.00 H new ATOM 0 HB THR A 64 10.458 1.760 -0.952 1.00 0.00 H new ATOM 0 HG1 THR A 64 9.034 3.588 -0.390 1.00 0.00 H new ATOM 0 HG21 THR A 64 11.611 2.946 -2.782 1.00 0.00 H new ATOM 0 HG22 THR A 64 10.881 1.422 -3.343 1.00 0.00 H new ATOM 0 HG23 THR A 64 10.094 2.975 -3.713 1.00 0.00 H new ATOM 974 N ALA A 65 6.566 3.001 -2.005 1.00 0.00 N ATOM 975 CA ALA A 65 5.594 3.890 -2.630 1.00 0.00 C ATOM 976 C ALA A 65 5.091 4.935 -1.641 1.00 0.00 C ATOM 977 O ALA A 65 4.878 4.639 -0.465 1.00 0.00 O ATOM 978 CB ALA A 65 4.430 3.087 -3.191 1.00 0.00 C ATOM 0 H ALA A 65 6.380 2.796 -1.023 1.00 0.00 H new ATOM 0 HA ALA A 65 6.089 4.412 -3.449 1.00 0.00 H new ATOM 0 HB1 ALA A 65 3.712 3.763 -3.655 1.00 0.00 H new ATOM 0 HB2 ALA A 65 4.799 2.383 -3.937 1.00 0.00 H new ATOM 0 HB3 ALA A 65 3.944 2.539 -2.384 1.00 0.00 H new ATOM 984 N ARG A 66 4.903 6.159 -2.124 1.00 0.00 N ATOM 985 CA ARG A 66 4.427 7.249 -1.281 1.00 0.00 C ATOM 986 C ARG A 66 3.037 7.704 -1.716 1.00 0.00 C ATOM 987 O ARG A 66 2.806 7.990 -2.891 1.00 0.00 O ATOM 988 CB ARG A 66 5.401 8.427 -1.336 1.00 0.00 C ATOM 989 CG ARG A 66 4.889 9.674 -0.633 1.00 0.00 C ATOM 990 CD ARG A 66 5.471 10.938 -1.246 1.00 0.00 C ATOM 991 NE ARG A 66 6.827 11.201 -0.773 1.00 0.00 N ATOM 992 CZ ARG A 66 7.687 11.988 -1.410 1.00 0.00 C ATOM 993 NH1 ARG A 66 7.334 12.586 -2.539 1.00 0.00 N ATOM 994 NH2 ARG A 66 8.904 12.179 -0.916 1.00 0.00 N ATOM 0 H ARG A 66 5.073 6.421 -3.095 1.00 0.00 H new ATOM 0 HA ARG A 66 4.367 6.883 -0.256 1.00 0.00 H new ATOM 0 HB2 ARG A 66 6.346 8.127 -0.884 1.00 0.00 H new ATOM 0 HB3 ARG A 66 5.609 8.667 -2.379 1.00 0.00 H new ATOM 0 HG2 ARG A 66 3.801 9.706 -0.694 1.00 0.00 H new ATOM 0 HG3 ARG A 66 5.148 9.629 0.425 1.00 0.00 H new ATOM 0 HD2 ARG A 66 5.478 10.844 -2.332 1.00 0.00 H new ATOM 0 HD3 ARG A 66 4.831 11.786 -1.003 1.00 0.00 H new ATOM 0 HE ARG A 66 7.130 10.756 0.093 1.00 0.00 H new ATOM 0 HH11 ARG A 66 6.399 12.443 -2.921 1.00 0.00 H new ATOM 0 HH12 ARG A 66 7.997 13.190 -3.025 1.00 0.00 H new ATOM 0 HH21 ARG A 66 9.179 11.721 -0.047 1.00 0.00 H new ATOM 0 HH22 ARG A 66 9.564 12.783 -1.405 1.00 0.00 H new ATOM 1008 N ILE A 67 2.115 7.767 -0.760 1.00 0.00 N ATOM 1009 CA ILE A 67 0.749 8.188 -1.044 1.00 0.00 C ATOM 1010 C ILE A 67 0.583 9.690 -0.843 1.00 0.00 C ATOM 1011 O ILE A 67 0.835 10.213 0.242 1.00 0.00 O ATOM 1012 CB ILE A 67 -0.265 7.447 -0.152 1.00 0.00 C ATOM 1013 CG1 ILE A 67 0.195 6.009 0.094 1.00 0.00 C ATOM 1014 CG2 ILE A 67 -1.645 7.466 -0.791 1.00 0.00 C ATOM 1015 CD1 ILE A 67 0.092 5.124 -1.128 1.00 0.00 C ATOM 0 H ILE A 67 2.290 7.532 0.217 1.00 0.00 H new ATOM 0 HA ILE A 67 0.553 7.940 -2.087 1.00 0.00 H new ATOM 0 HB ILE A 67 -0.324 7.959 0.809 1.00 0.00 H new ATOM 0 HG12 ILE A 67 1.229 6.021 0.438 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -0.403 5.577 0.897 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -2.351 6.939 -0.149 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -1.972 8.498 -0.919 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -1.602 6.975 -1.763 1.00 0.00 H new ATOM 0 HD11 ILE A 67 0.435 4.120 -0.880 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -0.945 5.082 -1.460 1.00 0.00 H new ATOM 0 HD13 ILE A 67 0.712 5.532 -1.926 1.00 0.00 H new ATOM 1027 N ASP A 68 0.158 10.379 -1.897 1.00 0.00 N ATOM 1028 CA ASP A 68 -0.045 11.822 -1.836 1.00 0.00 C ATOM 1029 C ASP A 68 -1.512 12.174 -2.058 1.00 0.00 C ATOM 1030 O ASP A 68 -2.223 11.486 -2.790 1.00 0.00 O ATOM 1031 CB ASP A 68 0.825 12.525 -2.879 1.00 0.00 C ATOM 1032 CG ASP A 68 2.180 11.865 -3.043 1.00 0.00 C ATOM 1033 OD1 ASP A 68 2.542 11.034 -2.184 1.00 0.00 O ATOM 1034 OD2 ASP A 68 2.879 12.180 -4.029 1.00 0.00 O ATOM 0 H ASP A 68 -0.052 9.961 -2.804 1.00 0.00 H new ATOM 0 HA ASP A 68 0.245 12.164 -0.842 1.00 0.00 H new ATOM 0 HB2 ASP A 68 0.307 12.527 -3.838 1.00 0.00 H new ATOM 0 HB3 ASP A 68 0.964 13.567 -2.589 1.00 0.00 H new ATOM 1039 N GLY A 69 -1.961 13.251 -1.420 1.00 0.00 N ATOM 1040 CA GLY A 69 -3.341 13.676 -1.560 1.00 0.00 C ATOM 1041 C GLY A 69 -4.155 13.427 -0.306 1.00 0.00 C ATOM 1042 O GLY A 69 -5.344 13.113 -0.380 1.00 0.00 O ATOM 0 H GLY A 69 -1.393 13.837 -0.808 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -3.368 14.739 -1.802 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -3.798 13.147 -2.397 1.00 0.00 H new ATOM 1046 N LEU A 70 -3.514 13.564 0.850 1.00 0.00 N ATOM 1047 CA LEU A 70 -4.185 13.350 2.127 1.00 0.00 C ATOM 1048 C LEU A 70 -4.278 14.651 2.918 1.00 0.00 C ATOM 1049 O LEU A 70 -3.868 15.709 2.441 1.00 0.00 O ATOM 1050 CB LEU A 70 -3.441 12.294 2.946 1.00 0.00 C ATOM 1051 CG LEU A 70 -3.007 11.039 2.188 1.00 0.00 C ATOM 1052 CD1 LEU A 70 -1.965 10.268 2.983 1.00 0.00 C ATOM 1053 CD2 LEU A 70 -4.210 10.156 1.886 1.00 0.00 C ATOM 0 H LEU A 70 -2.530 13.822 0.929 1.00 0.00 H new ATOM 0 HA LEU A 70 -5.196 12.997 1.923 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -2.554 12.757 3.379 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -4.079 11.990 3.776 1.00 0.00 H new ATOM 0 HG LEU A 70 -2.559 11.346 1.243 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -1.669 9.378 2.427 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -1.093 10.900 3.148 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -2.386 9.972 3.944 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -3.883 9.267 1.346 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -4.686 9.858 2.820 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -4.923 10.709 1.275 1.00 0.00 H new ATOM 1065 N ARG A 71 -4.818 14.563 4.129 1.00 0.00 N ATOM 1066 CA ARG A 71 -4.964 15.733 4.987 1.00 0.00 C ATOM 1067 C ARG A 71 -4.067 15.621 6.217 1.00 0.00 C ATOM 1068 O ARG A 71 -3.714 14.528 6.660 1.00 0.00 O ATOM 1069 CB ARG A 71 -6.422 15.897 5.419 1.00 0.00 C ATOM 1070 CG ARG A 71 -7.286 16.609 4.391 1.00 0.00 C ATOM 1071 CD ARG A 71 -8.418 17.380 5.052 1.00 0.00 C ATOM 1072 NE ARG A 71 -7.936 18.570 5.748 1.00 0.00 N ATOM 1073 CZ ARG A 71 -8.734 19.534 6.194 1.00 0.00 C ATOM 1074 NH1 ARG A 71 -10.045 19.448 6.018 1.00 0.00 N ATOM 1075 NH2 ARG A 71 -8.220 20.586 6.819 1.00 0.00 N ATOM 0 H ARG A 71 -5.162 13.694 4.538 1.00 0.00 H new ATOM 0 HA ARG A 71 -4.661 16.611 4.416 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -6.846 14.913 5.618 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -6.454 16.453 6.356 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -6.670 17.294 3.808 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -7.699 15.880 3.694 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -9.147 17.672 4.296 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -8.934 16.731 5.759 1.00 0.00 H new ATOM 0 HE ARG A 71 -6.932 18.666 5.900 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -10.443 18.640 5.539 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -10.655 20.190 6.361 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -7.212 20.655 6.957 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -8.833 21.326 7.161 1.00 0.00 H new ATOM 1089 N PRO A 72 -3.689 16.778 6.781 1.00 0.00 N ATOM 1090 CA PRO A 72 -2.830 16.836 7.967 1.00 0.00 C ATOM 1091 C PRO A 72 -3.540 16.342 9.223 1.00 0.00 C ATOM 1092 O PRO A 72 -4.626 16.812 9.560 1.00 0.00 O ATOM 1093 CB PRO A 72 -2.498 18.325 8.092 1.00 0.00 C ATOM 1094 CG PRO A 72 -3.631 19.023 7.422 1.00 0.00 C ATOM 1095 CD PRO A 72 -4.073 18.118 6.306 1.00 0.00 C ATOM 0 HA PRO A 72 -1.953 16.196 7.866 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -2.410 18.625 9.136 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -1.548 18.561 7.612 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -4.446 19.205 8.122 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -3.318 19.994 7.037 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -5.147 18.190 6.131 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -3.580 18.368 5.367 1.00 0.00 H new ATOM 1103 N GLY A 73 -2.918 15.390 9.913 1.00 0.00 N ATOM 1104 CA GLY A 73 -3.506 14.848 11.124 1.00 0.00 C ATOM 1105 C GLY A 73 -4.636 13.879 10.837 1.00 0.00 C ATOM 1106 O GLY A 73 -5.692 13.943 11.466 1.00 0.00 O ATOM 0 H GLY A 73 -2.018 14.985 9.655 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -2.735 14.340 11.703 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -3.880 15.666 11.740 1.00 0.00 H new ATOM 1110 N MET A 74 -4.415 12.980 9.884 1.00 0.00 N ATOM 1111 CA MET A 74 -5.424 11.995 9.515 1.00 0.00 C ATOM 1112 C MET A 74 -4.806 10.606 9.383 1.00 0.00 C ATOM 1113 O MET A 74 -3.716 10.451 8.832 1.00 0.00 O ATOM 1114 CB MET A 74 -6.100 12.392 8.200 1.00 0.00 C ATOM 1115 CG MET A 74 -7.130 11.384 7.718 1.00 0.00 C ATOM 1116 SD MET A 74 -8.785 11.727 8.348 1.00 0.00 S ATOM 1117 CE MET A 74 -8.738 10.857 9.913 1.00 0.00 C ATOM 0 H MET A 74 -3.546 12.913 9.353 1.00 0.00 H new ATOM 0 HA MET A 74 -6.173 11.967 10.306 1.00 0.00 H new ATOM 0 HB2 MET A 74 -6.583 13.361 8.327 1.00 0.00 H new ATOM 0 HB3 MET A 74 -5.337 12.515 7.431 1.00 0.00 H new ATOM 0 HG2 MET A 74 -7.153 11.386 6.628 1.00 0.00 H new ATOM 0 HG3 MET A 74 -6.827 10.384 8.029 1.00 0.00 H new ATOM 0 HE1 MET A 74 -9.752 10.745 10.298 1.00 0.00 H new ATOM 0 HE2 MET A 74 -8.294 9.872 9.769 1.00 0.00 H new ATOM 0 HE3 MET A 74 -8.139 11.423 10.626 1.00 0.00 H new ATOM 1127 N VAL A 75 -5.509 9.599 9.892 1.00 0.00 N ATOM 1128 CA VAL A 75 -5.029 8.224 9.830 1.00 0.00 C ATOM 1129 C VAL A 75 -5.505 7.532 8.558 1.00 0.00 C ATOM 1130 O VAL A 75 -6.680 7.612 8.199 1.00 0.00 O ATOM 1131 CB VAL A 75 -5.499 7.410 11.051 1.00 0.00 C ATOM 1132 CG1 VAL A 75 -5.007 5.974 10.957 1.00 0.00 C ATOM 1133 CG2 VAL A 75 -5.023 8.062 12.340 1.00 0.00 C ATOM 0 H VAL A 75 -6.413 9.710 10.352 1.00 0.00 H new ATOM 0 HA VAL A 75 -3.940 8.269 9.829 1.00 0.00 H new ATOM 0 HB VAL A 75 -6.589 7.395 11.059 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -5.349 5.415 11.828 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -5.402 5.513 10.052 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -3.918 5.964 10.924 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -5.364 7.474 13.192 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -3.934 8.109 12.343 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -5.430 9.071 12.409 1.00 0.00 H new ATOM 1143 N TYR A 76 -4.586 6.854 7.881 1.00 0.00 N ATOM 1144 CA TYR A 76 -4.911 6.149 6.647 1.00 0.00 C ATOM 1145 C TYR A 76 -4.426 4.703 6.701 1.00 0.00 C ATOM 1146 O TYR A 76 -3.342 4.419 7.210 1.00 0.00 O ATOM 1147 CB TYR A 76 -4.288 6.863 5.447 1.00 0.00 C ATOM 1148 CG TYR A 76 -4.907 8.212 5.156 1.00 0.00 C ATOM 1149 CD1 TYR A 76 -6.011 8.325 4.320 1.00 0.00 C ATOM 1150 CD2 TYR A 76 -4.388 9.372 5.715 1.00 0.00 C ATOM 1151 CE1 TYR A 76 -6.581 9.554 4.051 1.00 0.00 C ATOM 1152 CE2 TYR A 76 -4.951 10.606 5.453 1.00 0.00 C ATOM 1153 CZ TYR A 76 -6.047 10.692 4.620 1.00 0.00 C ATOM 1154 OH TYR A 76 -6.610 11.919 4.355 1.00 0.00 O ATOM 0 H TYR A 76 -3.610 6.777 8.166 1.00 0.00 H new ATOM 0 HA TYR A 76 -5.995 6.146 6.536 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -3.221 6.994 5.627 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -4.388 6.229 4.566 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -6.431 7.436 3.873 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -3.529 9.309 6.366 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -7.439 9.624 3.399 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -4.535 11.498 5.898 1.00 0.00 H new ATOM 0 HH TYR A 76 -7.569 11.809 4.186 1.00 0.00 H new ATOM 1164 N VAL A 77 -5.237 3.794 6.170 1.00 0.00 N ATOM 1165 CA VAL A 77 -4.892 2.377 6.155 1.00 0.00 C ATOM 1166 C VAL A 77 -4.311 1.967 4.807 1.00 0.00 C ATOM 1167 O VAL A 77 -5.047 1.676 3.864 1.00 0.00 O ATOM 1168 CB VAL A 77 -6.118 1.497 6.463 1.00 0.00 C ATOM 1169 CG1 VAL A 77 -5.719 0.031 6.534 1.00 0.00 C ATOM 1170 CG2 VAL A 77 -6.780 1.941 7.758 1.00 0.00 C ATOM 0 H VAL A 77 -6.138 4.013 5.744 1.00 0.00 H new ATOM 0 HA VAL A 77 -4.142 2.226 6.931 1.00 0.00 H new ATOM 0 HB VAL A 77 -6.839 1.613 5.654 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -6.598 -0.575 6.752 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -5.294 -0.277 5.579 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -4.978 -0.107 7.322 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -7.644 1.308 7.960 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -6.068 1.855 8.579 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -7.103 2.978 7.665 1.00 0.00 H new ATOM 1180 N VAL A 78 -2.984 1.946 4.722 1.00 0.00 N ATOM 1181 CA VAL A 78 -2.303 1.570 3.489 1.00 0.00 C ATOM 1182 C VAL A 78 -1.791 0.136 3.559 1.00 0.00 C ATOM 1183 O VAL A 78 -1.309 -0.310 4.600 1.00 0.00 O ATOM 1184 CB VAL A 78 -1.122 2.512 3.191 1.00 0.00 C ATOM 1185 CG1 VAL A 78 -0.483 2.162 1.855 1.00 0.00 C ATOM 1186 CG2 VAL A 78 -1.579 3.962 3.208 1.00 0.00 C ATOM 0 H VAL A 78 -2.360 2.185 5.493 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.035 1.652 2.685 1.00 0.00 H new ATOM 0 HB VAL A 78 -0.372 2.382 3.971 1.00 0.00 H new ATOM 0 HG11 VAL A 78 0.350 2.838 1.662 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -0.117 1.136 1.884 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -1.223 2.261 1.061 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -0.731 4.613 2.995 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -2.349 4.110 2.451 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -1.985 4.204 4.190 1.00 0.00 H new ATOM 1196 N GLN A 79 -1.898 -0.580 2.445 1.00 0.00 N ATOM 1197 CA GLN A 79 -1.446 -1.965 2.381 1.00 0.00 C ATOM 1198 C GLN A 79 -0.614 -2.208 1.126 1.00 0.00 C ATOM 1199 O GLN A 79 -0.395 -1.297 0.327 1.00 0.00 O ATOM 1200 CB GLN A 79 -2.643 -2.917 2.405 1.00 0.00 C ATOM 1201 CG GLN A 79 -3.509 -2.772 3.646 1.00 0.00 C ATOM 1202 CD GLN A 79 -4.867 -3.428 3.489 1.00 0.00 C ATOM 1203 OE1 GLN A 79 -5.867 -2.757 3.232 1.00 0.00 O ATOM 1204 NE2 GLN A 79 -4.909 -4.746 3.643 1.00 0.00 N ATOM 0 H GLN A 79 -2.294 -0.225 1.575 1.00 0.00 H new ATOM 0 HA GLN A 79 -0.821 -2.157 3.253 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -3.256 -2.740 1.521 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -2.282 -3.944 2.342 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -2.993 -3.213 4.498 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -3.644 -1.714 3.868 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -4.055 -5.262 3.855 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -5.795 -5.242 3.549 1.00 0.00 H new ATOM 1213 N VAL A 80 -0.151 -3.443 0.959 1.00 0.00 N ATOM 1214 CA VAL A 80 0.657 -3.806 -0.199 1.00 0.00 C ATOM 1215 C VAL A 80 0.495 -5.283 -0.541 1.00 0.00 C ATOM 1216 O VAL A 80 0.325 -6.121 0.345 1.00 0.00 O ATOM 1217 CB VAL A 80 2.149 -3.507 0.040 1.00 0.00 C ATOM 1218 CG1 VAL A 80 2.730 -4.473 1.061 1.00 0.00 C ATOM 1219 CG2 VAL A 80 2.922 -3.571 -1.268 1.00 0.00 C ATOM 0 H VAL A 80 -0.322 -4.209 1.611 1.00 0.00 H new ATOM 0 HA VAL A 80 0.302 -3.201 -1.034 1.00 0.00 H new ATOM 0 HB VAL A 80 2.240 -2.497 0.439 1.00 0.00 H new ATOM 0 HG11 VAL A 80 3.785 -4.247 1.217 1.00 0.00 H new ATOM 0 HG12 VAL A 80 2.194 -4.371 2.004 1.00 0.00 H new ATOM 0 HG13 VAL A 80 2.629 -5.494 0.694 1.00 0.00 H new ATOM 0 HG21 VAL A 80 3.974 -3.357 -1.080 1.00 0.00 H new ATOM 0 HG22 VAL A 80 2.826 -4.567 -1.699 1.00 0.00 H new ATOM 0 HG23 VAL A 80 2.521 -2.834 -1.964 1.00 0.00 H new ATOM 1229 N ARG A 81 0.550 -5.596 -1.831 1.00 0.00 N ATOM 1230 CA ARG A 81 0.408 -6.972 -2.291 1.00 0.00 C ATOM 1231 C ARG A 81 1.379 -7.268 -3.430 1.00 0.00 C ATOM 1232 O ARG A 81 1.934 -6.354 -4.039 1.00 0.00 O ATOM 1233 CB ARG A 81 -1.027 -7.235 -2.749 1.00 0.00 C ATOM 1234 CG ARG A 81 -1.427 -6.443 -3.983 1.00 0.00 C ATOM 1235 CD ARG A 81 -2.612 -7.079 -4.693 1.00 0.00 C ATOM 1236 NE ARG A 81 -3.887 -6.573 -4.191 1.00 0.00 N ATOM 1237 CZ ARG A 81 -5.041 -7.212 -4.340 1.00 0.00 C ATOM 1238 NH1 ARG A 81 -5.081 -8.376 -4.974 1.00 0.00 N ATOM 1239 NH2 ARG A 81 -6.159 -6.688 -3.855 1.00 0.00 N ATOM 0 H ARG A 81 0.692 -4.915 -2.577 1.00 0.00 H new ATOM 0 HA ARG A 81 0.642 -7.633 -1.456 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -1.144 -8.299 -2.957 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -1.710 -6.992 -1.935 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -1.679 -5.422 -3.696 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -0.581 -6.382 -4.668 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -2.541 -6.884 -5.763 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -2.575 -8.161 -4.563 1.00 0.00 H new ATOM 0 HE ARG A 81 -3.891 -5.680 -3.699 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -4.224 -8.782 -5.349 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -5.969 -8.865 -5.087 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -6.133 -5.793 -3.367 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -7.045 -7.180 -3.970 1.00 0.00 H new ATOM 1253 N ALA A 82 1.580 -8.551 -3.712 1.00 0.00 N ATOM 1254 CA ALA A 82 2.482 -8.967 -4.778 1.00 0.00 C ATOM 1255 C ALA A 82 1.706 -9.494 -5.980 1.00 0.00 C ATOM 1256 O ALA A 82 0.843 -10.361 -5.842 1.00 0.00 O ATOM 1257 CB ALA A 82 3.450 -10.024 -4.268 1.00 0.00 C ATOM 0 H ALA A 82 1.130 -9.320 -3.216 1.00 0.00 H new ATOM 0 HA ALA A 82 3.050 -8.094 -5.100 1.00 0.00 H new ATOM 0 HB1 ALA A 82 4.118 -10.325 -5.075 1.00 0.00 H new ATOM 0 HB2 ALA A 82 4.036 -9.614 -3.446 1.00 0.00 H new ATOM 0 HB3 ALA A 82 2.890 -10.891 -3.917 1.00 0.00 H new ATOM 1263 N ARG A 83 2.017 -8.964 -7.159 1.00 0.00 N ATOM 1264 CA ARG A 83 1.346 -9.380 -8.385 1.00 0.00 C ATOM 1265 C ARG A 83 2.344 -9.970 -9.376 1.00 0.00 C ATOM 1266 O ARG A 83 3.282 -9.298 -9.806 1.00 0.00 O ATOM 1267 CB ARG A 83 0.620 -8.193 -9.021 1.00 0.00 C ATOM 1268 CG ARG A 83 -0.023 -8.520 -10.359 1.00 0.00 C ATOM 1269 CD ARG A 83 -0.091 -7.295 -11.258 1.00 0.00 C ATOM 1270 NE ARG A 83 -0.419 -7.647 -12.637 1.00 0.00 N ATOM 1271 CZ ARG A 83 -0.843 -6.768 -13.538 1.00 0.00 C ATOM 1272 NH1 ARG A 83 -0.990 -5.492 -13.207 1.00 0.00 N ATOM 1273 NH2 ARG A 83 -1.122 -7.164 -14.774 1.00 0.00 N ATOM 0 H ARG A 83 2.729 -8.246 -7.291 1.00 0.00 H new ATOM 0 HA ARG A 83 0.617 -10.148 -8.129 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -0.149 -7.838 -8.335 1.00 0.00 H new ATOM 0 HB3 ARG A 83 1.328 -7.375 -9.157 1.00 0.00 H new ATOM 0 HG2 ARG A 83 0.546 -9.306 -10.855 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -1.028 -8.909 -10.196 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -0.840 -6.603 -10.872 1.00 0.00 H new ATOM 0 HD3 ARG A 83 0.866 -6.774 -11.234 1.00 0.00 H new ATOM 0 HE ARG A 83 -0.317 -8.621 -12.924 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -0.777 -5.183 -12.258 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -1.316 -4.819 -13.901 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -1.011 -8.144 -15.033 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -1.448 -6.488 -15.465 1.00 0.00 H new ATOM 1287 N THR A 84 2.136 -11.233 -9.736 1.00 0.00 N ATOM 1288 CA THR A 84 3.017 -11.916 -10.675 1.00 0.00 C ATOM 1289 C THR A 84 2.251 -12.385 -11.906 1.00 0.00 C ATOM 1290 O THR A 84 1.026 -12.280 -11.965 1.00 0.00 O ATOM 1291 CB THR A 84 3.706 -13.128 -10.020 1.00 0.00 C ATOM 1292 OG1 THR A 84 2.731 -14.117 -9.674 1.00 0.00 O ATOM 1293 CG2 THR A 84 4.473 -12.707 -8.776 1.00 0.00 C ATOM 0 H THR A 84 1.364 -11.804 -9.391 1.00 0.00 H new ATOM 0 HA THR A 84 3.777 -11.195 -10.976 1.00 0.00 H new ATOM 0 HB THR A 84 4.411 -13.549 -10.737 1.00 0.00 H new ATOM 0 HG1 THR A 84 3.177 -14.885 -9.260 1.00 0.00 H new ATOM 0 HG21 THR A 84 4.951 -13.579 -8.331 1.00 0.00 H new ATOM 0 HG22 THR A 84 5.234 -11.975 -9.048 1.00 0.00 H new ATOM 0 HG23 THR A 84 3.784 -12.264 -8.057 1.00 0.00 H new ATOM 1301 N VAL A 85 2.980 -12.904 -12.889 1.00 0.00 N ATOM 1302 CA VAL A 85 2.368 -13.392 -14.120 1.00 0.00 C ATOM 1303 C VAL A 85 1.289 -14.428 -13.824 1.00 0.00 C ATOM 1304 O VAL A 85 0.346 -14.594 -14.596 1.00 0.00 O ATOM 1305 CB VAL A 85 3.417 -14.014 -15.060 1.00 0.00 C ATOM 1306 CG1 VAL A 85 3.836 -15.387 -14.559 1.00 0.00 C ATOM 1307 CG2 VAL A 85 2.876 -14.097 -16.480 1.00 0.00 C ATOM 0 H VAL A 85 3.995 -12.997 -12.857 1.00 0.00 H new ATOM 0 HA VAL A 85 1.916 -12.531 -14.612 1.00 0.00 H new ATOM 0 HB VAL A 85 4.298 -13.373 -15.068 1.00 0.00 H new ATOM 0 HG11 VAL A 85 4.578 -15.811 -15.236 1.00 0.00 H new ATOM 0 HG12 VAL A 85 4.266 -15.295 -13.562 1.00 0.00 H new ATOM 0 HG13 VAL A 85 2.965 -16.041 -14.520 1.00 0.00 H new ATOM 0 HG21 VAL A 85 3.630 -14.539 -17.131 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.979 -14.716 -16.492 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.631 -13.096 -16.835 1.00 0.00 H new ATOM 1317 N ALA A 86 1.435 -15.121 -12.699 1.00 0.00 N ATOM 1318 CA ALA A 86 0.472 -16.140 -12.300 1.00 0.00 C ATOM 1319 C ALA A 86 -0.850 -15.509 -11.876 1.00 0.00 C ATOM 1320 O ALA A 86 -1.923 -15.994 -12.231 1.00 0.00 O ATOM 1321 CB ALA A 86 1.040 -16.989 -11.172 1.00 0.00 C ATOM 0 H ALA A 86 2.210 -14.995 -12.048 1.00 0.00 H new ATOM 0 HA ALA A 86 0.279 -16.781 -13.161 1.00 0.00 H new ATOM 0 HB1 ALA A 86 0.311 -17.746 -10.884 1.00 0.00 H new ATOM 0 HB2 ALA A 86 1.955 -17.476 -11.509 1.00 0.00 H new ATOM 0 HB3 ALA A 86 1.262 -16.354 -10.315 1.00 0.00 H new ATOM 1327 N GLY A 87 -0.765 -14.424 -11.112 1.00 0.00 N ATOM 1328 CA GLY A 87 -1.962 -13.745 -10.652 1.00 0.00 C ATOM 1329 C GLY A 87 -1.661 -12.672 -9.625 1.00 0.00 C ATOM 1330 O GLY A 87 -0.582 -12.078 -9.634 1.00 0.00 O ATOM 0 H GLY A 87 0.112 -14.003 -10.804 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -2.471 -13.295 -11.504 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -2.647 -14.475 -10.220 1.00 0.00 H new ATOM 1334 N TYR A 88 -2.617 -12.420 -8.737 1.00 0.00 N ATOM 1335 CA TYR A 88 -2.450 -11.408 -7.701 1.00 0.00 C ATOM 1336 C TYR A 88 -2.214 -12.055 -6.340 1.00 0.00 C ATOM 1337 O TYR A 88 -2.691 -13.157 -6.072 1.00 0.00 O ATOM 1338 CB TYR A 88 -3.682 -10.502 -7.640 1.00 0.00 C ATOM 1339 CG TYR A 88 -3.681 -9.409 -8.685 1.00 0.00 C ATOM 1340 CD1 TYR A 88 -3.837 -9.709 -10.033 1.00 0.00 C ATOM 1341 CD2 TYR A 88 -3.524 -8.077 -8.325 1.00 0.00 C ATOM 1342 CE1 TYR A 88 -3.837 -8.714 -10.991 1.00 0.00 C ATOM 1343 CE2 TYR A 88 -3.524 -7.075 -9.276 1.00 0.00 C ATOM 1344 CZ TYR A 88 -3.680 -7.399 -10.608 1.00 0.00 C ATOM 1345 OH TYR A 88 -3.679 -6.404 -11.558 1.00 0.00 O ATOM 0 H TYR A 88 -3.515 -12.903 -8.714 1.00 0.00 H new ATOM 0 HA TYR A 88 -1.577 -10.807 -7.954 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -4.577 -11.111 -7.764 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -3.740 -10.048 -6.651 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -3.960 -10.738 -10.337 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -3.400 -7.820 -7.283 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -3.959 -8.965 -12.034 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -3.403 -6.044 -8.979 1.00 0.00 H new ATOM 0 HH TYR A 88 -3.559 -5.535 -11.121 1.00 0.00 H new ATOM 1355 N GLY A 89 -1.473 -11.360 -5.482 1.00 0.00 N ATOM 1356 CA GLY A 89 -1.185 -11.881 -4.158 1.00 0.00 C ATOM 1357 C GLY A 89 -2.000 -11.200 -3.077 1.00 0.00 C ATOM 1358 O GLY A 89 -2.627 -10.168 -3.319 1.00 0.00 O ATOM 0 H GLY A 89 -1.067 -10.445 -5.680 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -1.387 -12.952 -4.141 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -0.124 -11.753 -3.944 1.00 0.00 H new ATOM 1362 N LYS A 90 -1.994 -11.777 -1.881 1.00 0.00 N ATOM 1363 CA LYS A 90 -2.738 -11.220 -0.757 1.00 0.00 C ATOM 1364 C LYS A 90 -2.123 -9.902 -0.297 1.00 0.00 C ATOM 1365 O LYS A 90 -1.076 -9.486 -0.796 1.00 0.00 O ATOM 1366 CB LYS A 90 -2.767 -12.214 0.405 1.00 0.00 C ATOM 1367 CG LYS A 90 -3.881 -13.242 0.299 1.00 0.00 C ATOM 1368 CD LYS A 90 -3.568 -14.489 1.109 1.00 0.00 C ATOM 1369 CE LYS A 90 -3.705 -14.233 2.602 1.00 0.00 C ATOM 1370 NZ LYS A 90 -2.444 -13.704 3.192 1.00 0.00 N ATOM 0 H LYS A 90 -1.481 -12.632 -1.664 1.00 0.00 H new ATOM 0 HA LYS A 90 -3.759 -11.029 -1.089 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -1.809 -12.732 0.453 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -2.879 -11.664 1.340 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -4.816 -12.804 0.650 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -4.029 -13.514 -0.746 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -4.241 -15.294 0.814 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -2.554 -14.823 0.888 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -4.513 -13.523 2.776 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -3.981 -15.160 3.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -2.161 -14.299 3.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -1.693 -13.714 2.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -2.596 -12.729 3.520 1.00 0.00 H new ATOM 1384 N PHE A 91 -2.778 -9.249 0.657 1.00 0.00 N ATOM 1385 CA PHE A 91 -2.295 -7.979 1.184 1.00 0.00 C ATOM 1386 C PHE A 91 -1.440 -8.196 2.430 1.00 0.00 C ATOM 1387 O PHE A 91 -1.600 -9.189 3.140 1.00 0.00 O ATOM 1388 CB PHE A 91 -3.472 -7.059 1.514 1.00 0.00 C ATOM 1389 CG PHE A 91 -3.928 -6.227 0.349 1.00 0.00 C ATOM 1390 CD1 PHE A 91 -3.020 -5.475 -0.379 1.00 0.00 C ATOM 1391 CD2 PHE A 91 -5.263 -6.197 -0.017 1.00 0.00 C ATOM 1392 CE1 PHE A 91 -3.437 -4.708 -1.451 1.00 0.00 C ATOM 1393 CE2 PHE A 91 -5.686 -5.433 -1.088 1.00 0.00 C ATOM 1394 CZ PHE A 91 -4.771 -4.688 -1.807 1.00 0.00 C ATOM 0 H PHE A 91 -3.645 -9.579 1.081 1.00 0.00 H new ATOM 0 HA PHE A 91 -1.678 -7.508 0.419 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -4.307 -7.664 1.867 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -3.188 -6.398 2.333 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -1.975 -5.488 -0.106 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -5.982 -6.778 0.541 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -2.720 -4.125 -2.010 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -6.730 -5.418 -1.363 1.00 0.00 H new ATOM 0 HZ PHE A 91 -5.098 -4.091 -2.646 1.00 0.00 H new ATOM 1404 N SER A 92 -0.532 -7.261 2.688 1.00 0.00 N ATOM 1405 CA SER A 92 0.352 -7.351 3.844 1.00 0.00 C ATOM 1406 C SER A 92 -0.312 -6.756 5.082 1.00 0.00 C ATOM 1407 O SER A 92 -1.188 -5.898 4.979 1.00 0.00 O ATOM 1408 CB SER A 92 1.671 -6.631 3.562 1.00 0.00 C ATOM 1409 OG SER A 92 1.542 -5.234 3.761 1.00 0.00 O ATOM 0 H SER A 92 -0.389 -6.432 2.112 1.00 0.00 H new ATOM 0 HA SER A 92 0.556 -8.405 4.033 1.00 0.00 H new ATOM 0 HB2 SER A 92 2.450 -7.024 4.215 1.00 0.00 H new ATOM 0 HB3 SER A 92 1.985 -6.828 2.537 1.00 0.00 H new ATOM 0 HG SER A 92 0.676 -4.933 3.415 1.00 0.00 H new ATOM 1415 N GLY A 93 0.114 -7.218 6.254 1.00 0.00 N ATOM 1416 CA GLY A 93 -0.449 -6.721 7.496 1.00 0.00 C ATOM 1417 C GLY A 93 -0.738 -5.234 7.447 1.00 0.00 C ATOM 1418 O GLY A 93 0.138 -4.414 7.724 1.00 0.00 O ATOM 0 H GLY A 93 0.839 -7.927 6.365 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -1.371 -7.260 7.715 1.00 0.00 H new ATOM 0 HA3 GLY A 93 0.243 -6.927 8.313 1.00 0.00 H new ATOM 1422 N LYS A 94 -1.970 -4.883 7.093 1.00 0.00 N ATOM 1423 CA LYS A 94 -2.373 -3.485 7.008 1.00 0.00 C ATOM 1424 C LYS A 94 -1.952 -2.720 8.258 1.00 0.00 C ATOM 1425 O LYS A 94 -2.045 -3.234 9.372 1.00 0.00 O ATOM 1426 CB LYS A 94 -3.888 -3.381 6.820 1.00 0.00 C ATOM 1427 CG LYS A 94 -4.671 -3.486 8.117 1.00 0.00 C ATOM 1428 CD LYS A 94 -6.125 -3.088 7.925 1.00 0.00 C ATOM 1429 CE LYS A 94 -6.931 -4.209 7.288 1.00 0.00 C ATOM 1430 NZ LYS A 94 -7.458 -5.161 8.306 1.00 0.00 N ATOM 0 H LYS A 94 -2.707 -5.549 6.860 1.00 0.00 H new ATOM 0 HA LYS A 94 -1.874 -3.041 6.147 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -4.122 -2.430 6.340 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -4.216 -4.169 6.142 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -4.619 -4.508 8.492 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -4.214 -2.846 8.872 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -6.562 -2.827 8.889 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -6.180 -2.198 7.298 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -7.761 -3.784 6.724 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -6.305 -4.748 6.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -8.002 -5.910 7.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -6.665 -5.586 8.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -8.076 -4.652 8.970 1.00 0.00 H new ATOM 1444 N MET A 95 -1.490 -1.489 8.066 1.00 0.00 N ATOM 1445 CA MET A 95 -1.057 -0.653 9.179 1.00 0.00 C ATOM 1446 C MET A 95 -1.733 0.713 9.128 1.00 0.00 C ATOM 1447 O MET A 95 -2.327 1.085 8.115 1.00 0.00 O ATOM 1448 CB MET A 95 0.464 -0.483 9.156 1.00 0.00 C ATOM 1449 CG MET A 95 1.074 -0.289 10.535 1.00 0.00 C ATOM 1450 SD MET A 95 2.875 -0.378 10.516 1.00 0.00 S ATOM 1451 CE MET A 95 3.124 -2.131 10.243 1.00 0.00 C ATOM 0 H MET A 95 -1.406 -1.048 7.150 1.00 0.00 H new ATOM 0 HA MET A 95 -1.346 -1.148 10.106 1.00 0.00 H new ATOM 0 HB2 MET A 95 0.913 -1.360 8.689 1.00 0.00 H new ATOM 0 HB3 MET A 95 0.716 0.374 8.532 1.00 0.00 H new ATOM 0 HG2 MET A 95 0.766 0.678 10.932 1.00 0.00 H new ATOM 0 HG3 MET A 95 0.684 -1.050 11.211 1.00 0.00 H new ATOM 0 HE1 MET A 95 3.623 -2.567 11.108 1.00 0.00 H new ATOM 0 HE2 MET A 95 2.159 -2.617 10.098 1.00 0.00 H new ATOM 0 HE3 MET A 95 3.741 -2.277 9.357 1.00 0.00 H new ATOM 1461 N CYS A 96 -1.641 1.456 10.226 1.00 0.00 N ATOM 1462 CA CYS A 96 -2.245 2.781 10.306 1.00 0.00 C ATOM 1463 C CYS A 96 -1.175 3.867 10.327 1.00 0.00 C ATOM 1464 O CYS A 96 -0.463 4.032 11.318 1.00 0.00 O ATOM 1465 CB CYS A 96 -3.123 2.889 11.554 1.00 0.00 C ATOM 1466 SG CYS A 96 -2.240 2.603 13.105 1.00 0.00 S ATOM 0 H CYS A 96 -1.154 1.163 11.073 1.00 0.00 H new ATOM 0 HA CYS A 96 -2.864 2.925 9.421 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -3.574 3.881 11.583 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -3.938 2.170 11.475 1.00 0.00 H new ATOM 0 HG CYS A 96 -1.044 3.105 13.022 1.00 0.00 H new ATOM 1472 N PHE A 97 -1.065 4.603 9.227 1.00 0.00 N ATOM 1473 CA PHE A 97 -0.079 5.672 9.117 1.00 0.00 C ATOM 1474 C PHE A 97 -0.761 7.032 9.005 1.00 0.00 C ATOM 1475 O PHE A 97 -1.565 7.262 8.102 1.00 0.00 O ATOM 1476 CB PHE A 97 0.824 5.440 7.904 1.00 0.00 C ATOM 1477 CG PHE A 97 1.453 4.077 7.877 1.00 0.00 C ATOM 1478 CD1 PHE A 97 2.438 3.735 8.788 1.00 0.00 C ATOM 1479 CD2 PHE A 97 1.059 3.136 6.938 1.00 0.00 C ATOM 1480 CE1 PHE A 97 3.019 2.481 8.766 1.00 0.00 C ATOM 1481 CE2 PHE A 97 1.635 1.880 6.912 1.00 0.00 C ATOM 1482 CZ PHE A 97 2.618 1.553 7.826 1.00 0.00 C ATOM 0 H PHE A 97 -1.647 4.479 8.398 1.00 0.00 H new ATOM 0 HA PHE A 97 0.530 5.664 10.021 1.00 0.00 H new ATOM 0 HB2 PHE A 97 0.240 5.580 6.994 1.00 0.00 H new ATOM 0 HB3 PHE A 97 1.611 6.195 7.897 1.00 0.00 H new ATOM 0 HD1 PHE A 97 2.756 4.457 9.525 1.00 0.00 H new ATOM 0 HD2 PHE A 97 0.293 3.387 6.219 1.00 0.00 H new ATOM 0 HE1 PHE A 97 3.786 2.228 9.483 1.00 0.00 H new ATOM 0 HE2 PHE A 97 1.317 1.155 6.178 1.00 0.00 H new ATOM 0 HZ PHE A 97 3.072 0.573 7.805 1.00 0.00 H new ATOM 1492 N GLN A 98 -0.434 7.930 9.929 1.00 0.00 N ATOM 1493 CA GLN A 98 -1.016 9.267 9.935 1.00 0.00 C ATOM 1494 C GLN A 98 -0.021 10.296 9.409 1.00 0.00 C ATOM 1495 O GLN A 98 1.191 10.078 9.443 1.00 0.00 O ATOM 1496 CB GLN A 98 -1.461 9.646 11.349 1.00 0.00 C ATOM 1497 CG GLN A 98 -0.319 9.713 12.349 1.00 0.00 C ATOM 1498 CD GLN A 98 -0.621 10.627 13.520 1.00 0.00 C ATOM 1499 OE1 GLN A 98 0.033 11.654 13.706 1.00 0.00 O ATOM 1500 NE2 GLN A 98 -1.617 10.258 14.317 1.00 0.00 N ATOM 0 H GLN A 98 0.231 7.756 10.683 1.00 0.00 H new ATOM 0 HA GLN A 98 -1.885 9.261 9.278 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -1.961 10.614 11.316 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -2.195 8.919 11.697 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -0.108 8.710 12.721 1.00 0.00 H new ATOM 0 HG3 GLN A 98 0.581 10.062 11.843 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -2.132 9.399 14.125 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -1.867 10.834 15.121 1.00 0.00 H new ATOM 1509 N THR A 99 -0.540 11.419 8.923 1.00 0.00 N ATOM 1510 CA THR A 99 0.302 12.482 8.389 1.00 0.00 C ATOM 1511 C THR A 99 0.789 13.407 9.498 1.00 0.00 C ATOM 1512 O THR A 99 0.424 13.244 10.663 1.00 0.00 O ATOM 1513 CB THR A 99 -0.448 13.315 7.332 1.00 0.00 C ATOM 1514 OG1 THR A 99 -1.501 14.061 7.953 1.00 0.00 O ATOM 1515 CG2 THR A 99 -1.025 12.420 6.247 1.00 0.00 C ATOM 0 H THR A 99 -1.540 11.616 8.888 1.00 0.00 H new ATOM 0 HA THR A 99 1.160 12.000 7.919 1.00 0.00 H new ATOM 0 HB THR A 99 0.262 14.003 6.873 1.00 0.00 H new ATOM 0 HG1 THR A 99 -2.349 13.869 7.500 1.00 0.00 H new ATOM 0 HG21 THR A 99 -1.550 13.031 5.512 1.00 0.00 H new ATOM 0 HG22 THR A 99 -0.218 11.876 5.757 1.00 0.00 H new ATOM 0 HG23 THR A 99 -1.722 11.710 6.693 1.00 0.00 H new ATOM 1523 N LEU A 100 1.615 14.381 9.129 1.00 0.00 N ATOM 1524 CA LEU A 100 2.152 15.334 10.094 1.00 0.00 C ATOM 1525 C LEU A 100 1.052 16.245 10.629 1.00 0.00 C ATOM 1526 O LEU A 100 0.244 16.776 9.867 1.00 0.00 O ATOM 1527 CB LEU A 100 3.257 16.174 9.450 1.00 0.00 C ATOM 1528 CG LEU A 100 4.659 15.565 9.468 1.00 0.00 C ATOM 1529 CD1 LEU A 100 4.667 14.221 8.757 1.00 0.00 C ATOM 1530 CD2 LEU A 100 5.661 16.515 8.827 1.00 0.00 C ATOM 0 H LEU A 100 1.927 14.531 8.169 1.00 0.00 H new ATOM 0 HA LEU A 100 2.571 14.772 10.929 1.00 0.00 H new ATOM 0 HB2 LEU A 100 2.981 16.369 8.414 1.00 0.00 H new ATOM 0 HB3 LEU A 100 3.295 17.138 9.957 1.00 0.00 H new ATOM 0 HG LEU A 100 4.951 15.405 10.506 1.00 0.00 H new ATOM 0 HD11 LEU A 100 5.673 13.803 8.780 1.00 0.00 H new ATOM 0 HD12 LEU A 100 3.980 13.540 9.259 1.00 0.00 H new ATOM 0 HD13 LEU A 100 4.354 14.355 7.722 1.00 0.00 H new ATOM 0 HD21 LEU A 100 6.654 16.065 8.848 1.00 0.00 H new ATOM 0 HD22 LEU A 100 5.371 16.706 7.794 1.00 0.00 H new ATOM 0 HD23 LEU A 100 5.676 17.455 9.379 1.00 0.00 H new ATOM 1542 N THR A 101 1.028 16.425 11.946 1.00 0.00 N ATOM 1543 CA THR A 101 0.029 17.272 12.584 1.00 0.00 C ATOM 1544 C THR A 101 0.609 18.638 12.934 1.00 0.00 C ATOM 1545 O THR A 101 1.393 18.768 13.873 1.00 0.00 O ATOM 1546 CB THR A 101 -0.526 16.620 13.865 1.00 0.00 C ATOM 1547 OG1 THR A 101 0.534 16.397 14.801 1.00 0.00 O ATOM 1548 CG2 THR A 101 -1.213 15.300 13.546 1.00 0.00 C ATOM 0 H THR A 101 1.690 15.995 12.592 1.00 0.00 H new ATOM 0 HA THR A 101 -0.783 17.397 11.867 1.00 0.00 H new ATOM 0 HB THR A 101 -1.259 17.298 14.302 1.00 0.00 H new ATOM 0 HG1 THR A 101 1.195 17.116 14.724 1.00 0.00 H new ATOM 0 HG21 THR A 101 -1.597 14.858 14.465 1.00 0.00 H new ATOM 0 HG22 THR A 101 -2.038 15.477 12.856 1.00 0.00 H new ATOM 0 HG23 THR A 101 -0.497 14.618 13.087 1.00 0.00 H new ATOM 1556 N ASP A 102 0.217 19.654 12.173 1.00 0.00 N ATOM 1557 CA ASP A 102 0.696 21.011 12.403 1.00 0.00 C ATOM 1558 C ASP A 102 -0.078 21.676 13.537 1.00 0.00 C ATOM 1559 O ASP A 102 -1.127 22.281 13.314 1.00 0.00 O ATOM 1560 CB ASP A 102 0.571 21.844 11.126 1.00 0.00 C ATOM 1561 CG ASP A 102 1.064 23.265 11.310 1.00 0.00 C ATOM 1562 OD1 ASP A 102 0.764 23.866 12.364 1.00 0.00 O ATOM 1563 OD2 ASP A 102 1.750 23.777 10.402 1.00 0.00 O ATOM 0 H ASP A 102 -0.432 19.563 11.391 1.00 0.00 H new ATOM 0 HA ASP A 102 1.746 20.955 12.688 1.00 0.00 H new ATOM 0 HB2 ASP A 102 1.139 21.366 10.327 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -0.472 21.863 10.809 1.00 0.00 H new