USER MOD reduce.3.24.130724 H: found=0, std=0, add=532, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 532 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 40 MET CE :methyl -108:sc= -2.82! (180deg=-9.14!) USER MOD Set 1.2: A 47 THR OG1 : rot -160:sc= -0.359 USER MOD Set 2.1: A 23 ASN : amide:sc= -4.64! C(o=-8.1!,f=-6.5!) USER MOD Set 2.2: A 24 GLN : amide:sc= -3.5! C(o=-8.1!,f=-6.5!) USER MOD Single : A 10 HIS : no HD1:sc= -2.23! X(o=-2.2!,f=-2.3) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot -77:sc= 0.949 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -0.278 K(o=-0.28,f=-1.4!) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 MET CE :methyl -146:sc= -0.244 (180deg=-0.525) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot -170:sc= -1.04 USER MOD Single : A 34 GLN : amide:sc=-0.00138 X(o=-0.0014,f=0.15) USER MOD Single : A 39 ASN : amide:sc= -0.851 K(o=-0.85,f=-2.5!) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 46 CYS SG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 30:sc= -0.986! USER MOD Single : A 59 MET CE :methyl 179:sc= -2.16! (180deg=-2.16!) USER MOD Single : A 60 ASN : amide:sc= -0.277 X(o=-0.28,f=-0.3) USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -3.862 -1.278 -6.544 1.00 0.00 N ATOM 60 CA GLY A 7 -2.730 -0.874 -7.361 1.00 0.00 C ATOM 61 C GLY A 7 -1.533 -0.492 -6.488 1.00 0.00 C ATOM 62 O GLY A 7 -1.127 0.669 -6.458 1.00 0.00 O ATOM 0 HA2 GLY A 7 -2.451 -1.688 -8.031 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.013 -0.028 -7.988 1.00 0.00 H new ATOM 66 N LEU A 8 -1.001 -1.490 -5.798 1.00 0.00 N ATOM 67 CA LEU A 8 0.142 -1.273 -4.927 1.00 0.00 C ATOM 68 C LEU A 8 1.279 -2.208 -5.341 1.00 0.00 C ATOM 69 O LEU A 8 2.431 -1.787 -5.436 1.00 0.00 O ATOM 70 CB LEU A 8 -0.269 -1.416 -3.460 1.00 0.00 C ATOM 71 CG LEU A 8 -0.891 -0.176 -2.813 1.00 0.00 C ATOM 72 CD1 LEU A 8 -2.161 0.249 -3.553 1.00 0.00 C ATOM 73 CD2 LEU A 8 -1.146 -0.405 -1.322 1.00 0.00 C ATOM 0 H LEU A 8 -1.340 -2.452 -5.824 1.00 0.00 H new ATOM 0 HA LEU A 8 0.514 -0.254 -5.033 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -0.980 -2.238 -3.381 1.00 0.00 H new ATOM 0 HB3 LEU A 8 0.611 -1.700 -2.883 1.00 0.00 H new ATOM 0 HG LEU A 8 -0.180 0.646 -2.895 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -2.583 1.132 -3.073 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.918 0.481 -4.590 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -2.888 -0.563 -3.524 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -1.588 0.491 -0.887 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -1.829 -1.245 -1.194 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -0.203 -0.624 -0.821 1.00 0.00 H new ATOM 85 N ASP A 9 0.916 -3.461 -5.577 1.00 0.00 N ATOM 86 CA ASP A 9 1.892 -4.459 -5.979 1.00 0.00 C ATOM 87 C ASP A 9 2.777 -3.885 -7.086 1.00 0.00 C ATOM 88 O ASP A 9 3.938 -4.268 -7.220 1.00 0.00 O ATOM 89 CB ASP A 9 1.205 -5.712 -6.525 1.00 0.00 C ATOM 90 CG ASP A 9 0.070 -6.258 -5.656 1.00 0.00 C ATOM 91 OD1 ASP A 9 -0.808 -5.446 -5.293 1.00 0.00 O ATOM 92 OD2 ASP A 9 0.106 -7.475 -5.374 1.00 0.00 O ATOM 0 H ASP A 9 -0.040 -3.807 -5.497 1.00 0.00 H new ATOM 0 HA ASP A 9 2.483 -4.724 -5.102 1.00 0.00 H new ATOM 0 HB2 ASP A 9 0.809 -5.488 -7.515 1.00 0.00 H new ATOM 0 HB3 ASP A 9 1.954 -6.493 -6.651 1.00 0.00 H new ATOM 97 N HIS A 10 2.195 -2.973 -7.852 1.00 0.00 N ATOM 98 CA HIS A 10 2.916 -2.342 -8.944 1.00 0.00 C ATOM 99 C HIS A 10 3.723 -1.157 -8.409 1.00 0.00 C ATOM 100 O HIS A 10 4.832 -0.897 -8.871 1.00 0.00 O ATOM 101 CB HIS A 10 1.959 -1.947 -10.071 1.00 0.00 C ATOM 102 CG HIS A 10 1.373 -0.563 -9.922 1.00 0.00 C ATOM 103 ND1 HIS A 10 0.439 -0.245 -8.951 1.00 0.00 N ATOM 104 CD2 HIS A 10 1.598 0.581 -10.629 1.00 0.00 C ATOM 105 CE1 HIS A 10 0.123 1.035 -9.079 1.00 0.00 C ATOM 106 NE2 HIS A 10 0.841 1.545 -10.120 1.00 0.00 N ATOM 0 H HIS A 10 1.232 -2.656 -7.737 1.00 0.00 H new ATOM 0 HA HIS A 10 3.621 -3.052 -9.377 1.00 0.00 H new ATOM 0 HB2 HIS A 10 2.489 -2.005 -11.021 1.00 0.00 H new ATOM 0 HB3 HIS A 10 1.146 -2.672 -10.114 1.00 0.00 H new ATOM 0 HD2 HIS A 10 2.277 0.685 -11.462 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -0.580 1.579 -8.466 1.00 0.00 H new ATOM 0 HE2 HIS A 10 0.803 2.508 -10.453 1.00 0.00 H new ATOM 114 N ILE A 11 3.133 -0.470 -7.441 1.00 0.00 N ATOM 115 CA ILE A 11 3.783 0.681 -6.838 1.00 0.00 C ATOM 116 C ILE A 11 5.197 0.292 -6.400 1.00 0.00 C ATOM 117 O ILE A 11 5.466 -0.876 -6.124 1.00 0.00 O ATOM 118 CB ILE A 11 2.924 1.250 -5.707 1.00 0.00 C ATOM 119 CG1 ILE A 11 1.864 2.209 -6.253 1.00 0.00 C ATOM 120 CG2 ILE A 11 3.795 1.908 -4.635 1.00 0.00 C ATOM 121 CD1 ILE A 11 0.878 2.618 -5.157 1.00 0.00 C ATOM 0 H ILE A 11 2.212 -0.689 -7.060 1.00 0.00 H new ATOM 0 HA ILE A 11 3.884 1.486 -7.566 1.00 0.00 H new ATOM 0 HB ILE A 11 2.396 0.424 -5.230 1.00 0.00 H new ATOM 0 HG12 ILE A 11 2.347 3.096 -6.662 1.00 0.00 H new ATOM 0 HG13 ILE A 11 1.325 1.733 -7.073 1.00 0.00 H new ATOM 0 HG21 ILE A 11 3.160 2.304 -3.843 1.00 0.00 H new ATOM 0 HG22 ILE A 11 4.478 1.169 -4.217 1.00 0.00 H new ATOM 0 HG23 ILE A 11 4.369 2.721 -5.081 1.00 0.00 H new ATOM 0 HD11 ILE A 11 0.135 3.300 -5.572 1.00 0.00 H new ATOM 0 HD12 ILE A 11 0.379 1.731 -4.767 1.00 0.00 H new ATOM 0 HD13 ILE A 11 1.416 3.115 -4.350 1.00 0.00 H new ATOM 133 N THR A 12 6.063 1.294 -6.350 1.00 0.00 N ATOM 134 CA THR A 12 7.442 1.071 -5.951 1.00 0.00 C ATOM 135 C THR A 12 7.737 1.785 -4.630 1.00 0.00 C ATOM 136 O THR A 12 7.244 2.887 -4.393 1.00 0.00 O ATOM 137 CB THR A 12 8.346 1.522 -7.100 1.00 0.00 C ATOM 138 OG1 THR A 12 7.644 1.118 -8.273 1.00 0.00 O ATOM 139 CG2 THR A 12 9.656 0.733 -7.159 1.00 0.00 C ATOM 0 H THR A 12 5.836 2.262 -6.579 1.00 0.00 H new ATOM 0 HA THR A 12 7.633 0.014 -5.763 1.00 0.00 H new ATOM 0 HB THR A 12 8.567 2.584 -6.993 1.00 0.00 H new ATOM 0 HG1 THR A 12 8.159 1.373 -9.067 1.00 0.00 H new ATOM 0 HG21 THR A 12 10.260 1.093 -7.992 1.00 0.00 H new ATOM 0 HG22 THR A 12 10.205 0.869 -6.227 1.00 0.00 H new ATOM 0 HG23 THR A 12 9.437 -0.325 -7.300 1.00 0.00 H new ATOM 147 N VAL A 13 8.540 1.129 -3.806 1.00 0.00 N ATOM 148 CA VAL A 13 8.906 1.687 -2.515 1.00 0.00 C ATOM 149 C VAL A 13 10.395 2.037 -2.520 1.00 0.00 C ATOM 150 O VAL A 13 11.237 1.179 -2.782 1.00 0.00 O ATOM 151 CB VAL A 13 8.524 0.715 -1.397 1.00 0.00 C ATOM 152 CG1 VAL A 13 8.979 1.241 -0.034 1.00 0.00 C ATOM 153 CG2 VAL A 13 7.019 0.437 -1.403 1.00 0.00 C ATOM 0 H VAL A 13 8.948 0.216 -4.007 1.00 0.00 H new ATOM 0 HA VAL A 13 8.356 2.609 -2.327 1.00 0.00 H new ATOM 0 HB VAL A 13 9.040 -0.227 -1.581 1.00 0.00 H new ATOM 0 HG11 VAL A 13 8.695 0.531 0.743 1.00 0.00 H new ATOM 0 HG12 VAL A 13 10.062 1.364 -0.035 1.00 0.00 H new ATOM 0 HG13 VAL A 13 8.504 2.203 0.162 1.00 0.00 H new ATOM 0 HG21 VAL A 13 6.774 -0.257 -0.599 1.00 0.00 H new ATOM 0 HG22 VAL A 13 6.476 1.370 -1.255 1.00 0.00 H new ATOM 0 HG23 VAL A 13 6.734 -0.001 -2.359 1.00 0.00 H new ATOM 163 N VAL A 14 10.675 3.298 -2.227 1.00 0.00 N ATOM 164 CA VAL A 14 12.049 3.772 -2.194 1.00 0.00 C ATOM 165 C VAL A 14 12.751 3.201 -0.960 1.00 0.00 C ATOM 166 O VAL A 14 12.383 3.518 0.170 1.00 0.00 O ATOM 167 CB VAL A 14 12.076 5.301 -2.244 1.00 0.00 C ATOM 168 CG1 VAL A 14 13.415 5.842 -1.738 1.00 0.00 C ATOM 169 CG2 VAL A 14 11.778 5.809 -3.656 1.00 0.00 C ATOM 0 H VAL A 14 9.974 4.007 -2.010 1.00 0.00 H new ATOM 0 HA VAL A 14 12.596 3.422 -3.070 1.00 0.00 H new ATOM 0 HB VAL A 14 11.293 5.672 -1.583 1.00 0.00 H new ATOM 0 HG11 VAL A 14 13.408 6.931 -1.784 1.00 0.00 H new ATOM 0 HG12 VAL A 14 13.570 5.523 -0.707 1.00 0.00 H new ATOM 0 HG13 VAL A 14 14.222 5.458 -2.362 1.00 0.00 H new ATOM 0 HG21 VAL A 14 11.803 6.899 -3.664 1.00 0.00 H new ATOM 0 HG22 VAL A 14 12.528 5.424 -4.347 1.00 0.00 H new ATOM 0 HG23 VAL A 14 10.790 5.467 -3.965 1.00 0.00 H new ATOM 179 N THR A 15 13.749 2.370 -1.219 1.00 0.00 N ATOM 180 CA THR A 15 14.507 1.752 -0.143 1.00 0.00 C ATOM 181 C THR A 15 15.876 2.420 -0.003 1.00 0.00 C ATOM 182 O THR A 15 16.300 3.165 -0.885 1.00 0.00 O ATOM 183 CB THR A 15 14.589 0.250 -0.426 1.00 0.00 C ATOM 184 OG1 THR A 15 15.466 0.155 -1.545 1.00 0.00 O ATOM 185 CG2 THR A 15 13.267 -0.323 -0.938 1.00 0.00 C ATOM 0 H THR A 15 14.051 2.110 -2.158 1.00 0.00 H new ATOM 0 HA THR A 15 14.014 1.890 0.819 1.00 0.00 H new ATOM 0 HB THR A 15 14.883 -0.275 0.483 1.00 0.00 H new ATOM 0 HG1 THR A 15 14.982 0.400 -2.361 1.00 0.00 H new ATOM 0 HG21 THR A 15 13.381 -1.391 -1.123 1.00 0.00 H new ATOM 0 HG22 THR A 15 12.488 -0.165 -0.192 1.00 0.00 H new ATOM 0 HG23 THR A 15 12.988 0.178 -1.865 1.00 0.00 H new ATOM 193 N ALA A 16 16.529 2.130 1.113 1.00 0.00 N ATOM 194 CA ALA A 16 17.841 2.693 1.380 1.00 0.00 C ATOM 195 C ALA A 16 18.889 1.953 0.547 1.00 0.00 C ATOM 196 O ALA A 16 19.839 1.394 1.092 1.00 0.00 O ATOM 197 CB ALA A 16 18.132 2.621 2.880 1.00 0.00 C ATOM 0 H ALA A 16 16.173 1.512 1.843 1.00 0.00 H new ATOM 0 HA ALA A 16 17.873 3.744 1.091 1.00 0.00 H new ATOM 0 HB1 ALA A 16 19.117 3.043 3.080 1.00 0.00 H new ATOM 0 HB2 ALA A 16 17.377 3.187 3.425 1.00 0.00 H new ATOM 0 HB3 ALA A 16 18.111 1.581 3.205 1.00 0.00 H new ATOM 203 N ASP A 17 18.680 1.972 -0.762 1.00 0.00 N ATOM 204 CA ASP A 17 19.594 1.309 -1.675 1.00 0.00 C ATOM 205 C ASP A 17 19.078 1.462 -3.107 1.00 0.00 C ATOM 206 O ASP A 17 19.863 1.627 -4.040 1.00 0.00 O ATOM 207 CB ASP A 17 19.694 -0.186 -1.366 1.00 0.00 C ATOM 208 CG ASP A 17 20.820 -0.923 -2.095 1.00 0.00 C ATOM 209 OD1 ASP A 17 21.779 -0.233 -2.502 1.00 0.00 O ATOM 210 OD2 ASP A 17 20.696 -2.160 -2.227 1.00 0.00 O ATOM 0 H ASP A 17 17.891 2.436 -1.211 1.00 0.00 H new ATOM 0 HA ASP A 17 20.576 1.767 -1.560 1.00 0.00 H new ATOM 0 HB2 ASP A 17 19.834 -0.311 -0.292 1.00 0.00 H new ATOM 0 HB3 ASP A 17 18.746 -0.659 -1.621 1.00 0.00 H new ATOM 215 N GLY A 18 17.761 1.403 -3.237 1.00 0.00 N ATOM 216 CA GLY A 18 17.130 1.533 -4.540 1.00 0.00 C ATOM 217 C GLY A 18 15.606 1.482 -4.419 1.00 0.00 C ATOM 218 O GLY A 18 15.052 1.803 -3.368 1.00 0.00 O ATOM 0 H GLY A 18 17.113 1.267 -2.461 1.00 0.00 H new ATOM 0 HA2 GLY A 18 17.430 2.474 -5.001 1.00 0.00 H new ATOM 0 HA3 GLY A 18 17.473 0.733 -5.196 1.00 0.00 H new ATOM 222 N LYS A 19 14.971 1.077 -5.509 1.00 0.00 N ATOM 223 CA LYS A 19 13.522 0.979 -5.538 1.00 0.00 C ATOM 224 C LYS A 19 13.116 -0.485 -5.717 1.00 0.00 C ATOM 225 O LYS A 19 13.759 -1.224 -6.461 1.00 0.00 O ATOM 226 CB LYS A 19 12.943 1.912 -6.604 1.00 0.00 C ATOM 227 CG LYS A 19 12.370 3.181 -5.970 1.00 0.00 C ATOM 228 CD LYS A 19 12.135 4.264 -7.026 1.00 0.00 C ATOM 229 CE LYS A 19 10.776 4.936 -6.828 1.00 0.00 C ATOM 230 NZ LYS A 19 10.463 5.820 -7.973 1.00 0.00 N ATOM 0 H LYS A 19 15.434 0.813 -6.379 1.00 0.00 H new ATOM 0 HA LYS A 19 13.100 1.313 -4.590 1.00 0.00 H new ATOM 0 HB2 LYS A 19 13.720 2.178 -7.320 1.00 0.00 H new ATOM 0 HB3 LYS A 19 12.161 1.394 -7.160 1.00 0.00 H new ATOM 0 HG2 LYS A 19 11.431 2.949 -5.467 1.00 0.00 H new ATOM 0 HG3 LYS A 19 13.056 3.553 -5.209 1.00 0.00 H new ATOM 0 HD2 LYS A 19 12.926 5.011 -6.968 1.00 0.00 H new ATOM 0 HD3 LYS A 19 12.185 3.823 -8.022 1.00 0.00 H new ATOM 0 HE2 LYS A 19 10.000 4.177 -6.724 1.00 0.00 H new ATOM 0 HE3 LYS A 19 10.781 5.515 -5.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 9.537 6.268 -7.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 11.194 6.555 -8.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 10.438 5.259 -8.848 1.00 0.00 H new ATOM 244 N VAL A 20 12.053 -0.861 -5.021 1.00 0.00 N ATOM 245 CA VAL A 20 11.555 -2.224 -5.094 1.00 0.00 C ATOM 246 C VAL A 20 10.025 -2.201 -5.141 1.00 0.00 C ATOM 247 O VAL A 20 9.405 -1.195 -4.799 1.00 0.00 O ATOM 248 CB VAL A 20 12.105 -3.045 -3.927 1.00 0.00 C ATOM 249 CG1 VAL A 20 13.635 -3.060 -3.941 1.00 0.00 C ATOM 250 CG2 VAL A 20 11.574 -2.523 -2.590 1.00 0.00 C ATOM 0 H VAL A 20 11.523 -0.246 -4.404 1.00 0.00 H new ATOM 0 HA VAL A 20 11.901 -2.709 -6.007 1.00 0.00 H new ATOM 0 HB VAL A 20 11.758 -4.071 -4.047 1.00 0.00 H new ATOM 0 HG11 VAL A 20 14.001 -3.650 -3.101 1.00 0.00 H new ATOM 0 HG12 VAL A 20 13.986 -3.500 -4.874 1.00 0.00 H new ATOM 0 HG13 VAL A 20 14.010 -2.040 -3.858 1.00 0.00 H new ATOM 0 HG21 VAL A 20 11.981 -3.125 -1.777 1.00 0.00 H new ATOM 0 HG22 VAL A 20 11.877 -1.484 -2.459 1.00 0.00 H new ATOM 0 HG23 VAL A 20 10.486 -2.588 -2.580 1.00 0.00 H new ATOM 260 N ALA A 21 9.461 -3.322 -5.566 1.00 0.00 N ATOM 261 CA ALA A 21 8.017 -3.443 -5.661 1.00 0.00 C ATOM 262 C ALA A 21 7.427 -3.584 -4.256 1.00 0.00 C ATOM 263 O ALA A 21 8.057 -4.160 -3.370 1.00 0.00 O ATOM 264 CB ALA A 21 7.662 -4.627 -6.564 1.00 0.00 C ATOM 0 H ALA A 21 9.978 -4.154 -5.848 1.00 0.00 H new ATOM 0 HA ALA A 21 7.586 -2.549 -6.111 1.00 0.00 H new ATOM 0 HB1 ALA A 21 6.578 -4.718 -6.635 1.00 0.00 H new ATOM 0 HB2 ALA A 21 8.079 -4.464 -7.558 1.00 0.00 H new ATOM 0 HB3 ALA A 21 8.076 -5.543 -6.142 1.00 0.00 H new ATOM 270 N LEU A 22 6.226 -3.049 -4.097 1.00 0.00 N ATOM 271 CA LEU A 22 5.544 -3.108 -2.815 1.00 0.00 C ATOM 272 C LEU A 22 5.310 -4.571 -2.434 1.00 0.00 C ATOM 273 O LEU A 22 5.004 -4.875 -1.281 1.00 0.00 O ATOM 274 CB LEU A 22 4.265 -2.269 -2.849 1.00 0.00 C ATOM 275 CG LEU A 22 4.096 -1.258 -1.713 1.00 0.00 C ATOM 276 CD1 LEU A 22 2.723 -0.585 -1.779 1.00 0.00 C ATOM 277 CD2 LEU A 22 4.348 -1.914 -0.354 1.00 0.00 C ATOM 0 H LEU A 22 5.707 -2.572 -4.835 1.00 0.00 H new ATOM 0 HA LEU A 22 6.164 -2.670 -2.033 1.00 0.00 H new ATOM 0 HB2 LEU A 22 4.232 -1.730 -3.796 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.410 -2.945 -2.837 1.00 0.00 H new ATOM 0 HG LEU A 22 4.845 -0.476 -1.837 1.00 0.00 H new ATOM 0 HD11 LEU A 22 2.628 0.129 -0.961 1.00 0.00 H new ATOM 0 HD12 LEU A 22 2.619 -0.063 -2.730 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.943 -1.341 -1.693 1.00 0.00 H new ATOM 0 HD21 LEU A 22 4.222 -1.174 0.436 1.00 0.00 H new ATOM 0 HD22 LEU A 22 3.638 -2.728 -0.206 1.00 0.00 H new ATOM 0 HD23 LEU A 22 5.364 -2.308 -0.323 1.00 0.00 H new ATOM 289 N ASN A 23 5.463 -5.439 -3.423 1.00 0.00 N ATOM 290 CA ASN A 23 5.272 -6.863 -3.205 1.00 0.00 C ATOM 291 C ASN A 23 6.632 -7.527 -2.982 1.00 0.00 C ATOM 292 O ASN A 23 6.778 -8.733 -3.180 1.00 0.00 O ATOM 293 CB ASN A 23 4.617 -7.523 -4.420 1.00 0.00 C ATOM 294 CG ASN A 23 5.605 -7.633 -5.583 1.00 0.00 C ATOM 295 OD1 ASN A 23 6.569 -8.379 -5.544 1.00 0.00 O ATOM 296 ND2 ASN A 23 5.311 -6.851 -6.618 1.00 0.00 N ATOM 0 H ASN A 23 5.717 -5.184 -4.377 1.00 0.00 H new ATOM 0 HA ASN A 23 4.627 -6.988 -2.335 1.00 0.00 H new ATOM 0 HB2 ASN A 23 4.257 -8.515 -4.149 1.00 0.00 H new ATOM 0 HB3 ASN A 23 3.748 -6.942 -4.730 1.00 0.00 H new ATOM 0 HD21 ASN A 23 5.909 -6.853 -7.444 1.00 0.00 H new ATOM 0 HD22 ASN A 23 4.488 -6.250 -6.585 1.00 0.00 H new ATOM 303 N GLN A 24 7.593 -6.712 -2.574 1.00 0.00 N ATOM 304 CA GLN A 24 8.936 -7.206 -2.322 1.00 0.00 C ATOM 305 C GLN A 24 9.303 -7.018 -0.848 1.00 0.00 C ATOM 306 O GLN A 24 9.674 -7.976 -0.170 1.00 0.00 O ATOM 307 CB GLN A 24 9.954 -6.516 -3.232 1.00 0.00 C ATOM 308 CG GLN A 24 9.496 -6.550 -4.691 1.00 0.00 C ATOM 309 CD GLN A 24 9.390 -7.990 -5.199 1.00 0.00 C ATOM 310 OE1 GLN A 24 9.741 -8.942 -4.522 1.00 0.00 O ATOM 311 NE2 GLN A 24 8.888 -8.095 -6.426 1.00 0.00 N ATOM 0 H GLN A 24 7.469 -5.713 -2.412 1.00 0.00 H new ATOM 0 HA GLN A 24 8.958 -8.272 -2.549 1.00 0.00 H new ATOM 0 HB2 GLN A 24 10.090 -5.482 -2.914 1.00 0.00 H new ATOM 0 HB3 GLN A 24 10.922 -7.008 -3.139 1.00 0.00 H new ATOM 0 HG2 GLN A 24 8.529 -6.056 -4.784 1.00 0.00 H new ATOM 0 HG3 GLN A 24 10.200 -5.993 -5.310 1.00 0.00 H new ATOM 0 HE21 GLN A 24 8.614 -7.257 -6.938 1.00 0.00 H new ATOM 0 HE22 GLN A 24 8.777 -9.014 -6.855 1.00 0.00 H new ATOM 320 N ILE A 25 9.187 -5.779 -0.396 1.00 0.00 N ATOM 321 CA ILE A 25 9.502 -5.453 0.985 1.00 0.00 C ATOM 322 C ILE A 25 8.439 -6.062 1.903 1.00 0.00 C ATOM 323 O ILE A 25 8.667 -6.223 3.101 1.00 0.00 O ATOM 324 CB ILE A 25 9.668 -3.942 1.155 1.00 0.00 C ATOM 325 CG1 ILE A 25 8.330 -3.220 0.987 1.00 0.00 C ATOM 326 CG2 ILE A 25 10.736 -3.398 0.204 1.00 0.00 C ATOM 327 CD1 ILE A 25 8.495 -1.710 1.167 1.00 0.00 C ATOM 0 H ILE A 25 8.879 -4.988 -0.961 1.00 0.00 H new ATOM 0 HA ILE A 25 10.459 -5.889 1.270 1.00 0.00 H new ATOM 0 HB ILE A 25 10.012 -3.749 2.171 1.00 0.00 H new ATOM 0 HG12 ILE A 25 7.921 -3.429 -0.002 1.00 0.00 H new ATOM 0 HG13 ILE A 25 7.614 -3.600 1.715 1.00 0.00 H new ATOM 0 HG21 ILE A 25 10.834 -2.322 0.345 1.00 0.00 H new ATOM 0 HG22 ILE A 25 11.690 -3.880 0.415 1.00 0.00 H new ATOM 0 HG23 ILE A 25 10.445 -3.604 -0.826 1.00 0.00 H new ATOM 0 HD11 ILE A 25 7.529 -1.221 1.042 1.00 0.00 H new ATOM 0 HD12 ILE A 25 8.881 -1.503 2.165 1.00 0.00 H new ATOM 0 HD13 ILE A 25 9.193 -1.329 0.422 1.00 0.00 H new ATOM 339 N GLY A 26 7.301 -6.383 1.306 1.00 0.00 N ATOM 340 CA GLY A 26 6.203 -6.970 2.054 1.00 0.00 C ATOM 341 C GLY A 26 5.299 -7.800 1.141 1.00 0.00 C ATOM 342 O GLY A 26 5.382 -7.697 -0.082 1.00 0.00 O ATOM 0 H GLY A 26 7.116 -6.248 0.312 1.00 0.00 H new ATOM 0 HA2 GLY A 26 6.597 -7.600 2.851 1.00 0.00 H new ATOM 0 HA3 GLY A 26 5.620 -6.181 2.530 1.00 0.00 H new ATOM 346 N GLN A 27 4.455 -8.605 1.770 1.00 0.00 N ATOM 347 CA GLN A 27 3.536 -9.453 1.030 1.00 0.00 C ATOM 348 C GLN A 27 2.147 -8.814 0.979 1.00 0.00 C ATOM 349 O GLN A 27 1.494 -8.657 2.010 1.00 0.00 O ATOM 350 CB GLN A 27 3.472 -10.855 1.638 1.00 0.00 C ATOM 351 CG GLN A 27 4.029 -11.900 0.669 1.00 0.00 C ATOM 352 CD GLN A 27 3.213 -13.193 0.728 1.00 0.00 C ATOM 353 OE1 GLN A 27 2.016 -13.192 0.963 1.00 0.00 O ATOM 354 NE2 GLN A 27 3.926 -14.293 0.502 1.00 0.00 N ATOM 0 H GLN A 27 4.388 -8.688 2.784 1.00 0.00 H new ATOM 0 HA GLN A 27 3.907 -9.552 0.010 1.00 0.00 H new ATOM 0 HB2 GLN A 27 4.039 -10.878 2.568 1.00 0.00 H new ATOM 0 HB3 GLN A 27 2.440 -11.100 1.888 1.00 0.00 H new ATOM 0 HG2 GLN A 27 4.016 -11.503 -0.346 1.00 0.00 H new ATOM 0 HG3 GLN A 27 5.070 -12.111 0.915 1.00 0.00 H new ATOM 0 HE21 GLN A 27 4.926 -14.223 0.311 1.00 0.00 H new ATOM 0 HE22 GLN A 27 3.473 -15.207 0.519 1.00 0.00 H new ATOM 363 N ILE A 28 1.737 -8.461 -0.230 1.00 0.00 N ATOM 364 CA ILE A 28 0.437 -7.842 -0.428 1.00 0.00 C ATOM 365 C ILE A 28 -0.642 -8.927 -0.452 1.00 0.00 C ATOM 366 O ILE A 28 -0.628 -9.802 -1.317 1.00 0.00 O ATOM 367 CB ILE A 28 0.449 -6.959 -1.678 1.00 0.00 C ATOM 368 CG1 ILE A 28 1.358 -5.745 -1.482 1.00 0.00 C ATOM 369 CG2 ILE A 28 -0.971 -6.554 -2.077 1.00 0.00 C ATOM 370 CD1 ILE A 28 2.013 -5.331 -2.802 1.00 0.00 C ATOM 0 H ILE A 28 2.282 -8.592 -1.082 1.00 0.00 H new ATOM 0 HA ILE A 28 0.202 -7.176 0.403 1.00 0.00 H new ATOM 0 HB ILE A 28 0.861 -7.540 -2.503 1.00 0.00 H new ATOM 0 HG12 ILE A 28 0.778 -4.913 -1.083 1.00 0.00 H new ATOM 0 HG13 ILE A 28 2.128 -5.978 -0.747 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -0.934 -5.927 -2.968 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -1.559 -7.448 -2.286 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -1.434 -5.998 -1.261 1.00 0.00 H new ATOM 0 HD11 ILE A 28 2.654 -4.466 -2.634 1.00 0.00 H new ATOM 0 HD12 ILE A 28 2.612 -6.157 -3.186 1.00 0.00 H new ATOM 0 HD13 ILE A 28 1.240 -5.075 -3.527 1.00 0.00 H new ATOM 382 N SER A 29 -1.550 -8.835 0.508 1.00 0.00 N ATOM 383 CA SER A 29 -2.634 -9.797 0.608 1.00 0.00 C ATOM 384 C SER A 29 -3.964 -9.069 0.808 1.00 0.00 C ATOM 385 O SER A 29 -4.268 -8.615 1.910 1.00 0.00 O ATOM 386 CB SER A 29 -2.391 -10.783 1.752 1.00 0.00 C ATOM 387 OG SER A 29 -2.850 -12.094 1.434 1.00 0.00 O ATOM 0 H SER A 29 -1.557 -8.109 1.224 1.00 0.00 H new ATOM 0 HA SER A 29 -2.675 -10.364 -0.322 1.00 0.00 H new ATOM 0 HB2 SER A 29 -1.326 -10.817 1.981 1.00 0.00 H new ATOM 0 HB3 SER A 29 -2.898 -10.429 2.649 1.00 0.00 H new ATOM 0 HG SER A 29 -2.675 -12.694 2.189 1.00 0.00 H new ATOM 393 N MET A 30 -4.722 -8.980 -0.275 1.00 0.00 N ATOM 394 CA MET A 30 -6.013 -8.314 -0.232 1.00 0.00 C ATOM 395 C MET A 30 -7.043 -9.162 0.518 1.00 0.00 C ATOM 396 O MET A 30 -7.628 -10.081 -0.052 1.00 0.00 O ATOM 397 CB MET A 30 -6.504 -8.058 -1.659 1.00 0.00 C ATOM 398 CG MET A 30 -6.429 -6.570 -2.005 1.00 0.00 C ATOM 399 SD MET A 30 -7.657 -6.168 -3.237 1.00 0.00 S ATOM 400 CE MET A 30 -8.355 -4.694 -2.509 1.00 0.00 C ATOM 0 H MET A 30 -4.467 -9.358 -1.187 1.00 0.00 H new ATOM 0 HA MET A 30 -5.895 -7.368 0.296 1.00 0.00 H new ATOM 0 HB2 MET A 30 -5.900 -8.630 -2.363 1.00 0.00 H new ATOM 0 HB3 MET A 30 -7.531 -8.408 -1.762 1.00 0.00 H new ATOM 0 HG2 MET A 30 -6.591 -5.971 -1.109 1.00 0.00 H new ATOM 0 HG3 MET A 30 -5.434 -6.324 -2.377 1.00 0.00 H new ATOM 0 HE1 MET A 30 -9.419 -4.644 -2.739 1.00 0.00 H new ATOM 0 HE2 MET A 30 -8.218 -4.722 -1.428 1.00 0.00 H new ATOM 0 HE3 MET A 30 -7.854 -3.815 -2.915 1.00 0.00 H new ATOM 410 N LYS A 31 -7.232 -8.823 1.784 1.00 0.00 N ATOM 411 CA LYS A 31 -8.180 -9.542 2.618 1.00 0.00 C ATOM 412 C LYS A 31 -9.601 -9.097 2.266 1.00 0.00 C ATOM 413 O LYS A 31 -10.419 -9.906 1.831 1.00 0.00 O ATOM 414 CB LYS A 31 -7.831 -9.370 4.098 1.00 0.00 C ATOM 415 CG LYS A 31 -8.932 -9.946 4.991 1.00 0.00 C ATOM 416 CD LYS A 31 -8.352 -10.931 6.008 1.00 0.00 C ATOM 417 CE LYS A 31 -7.793 -12.173 5.310 1.00 0.00 C ATOM 418 NZ LYS A 31 -7.377 -13.184 6.308 1.00 0.00 N ATOM 0 H LYS A 31 -6.745 -8.060 2.253 1.00 0.00 H new ATOM 0 HA LYS A 31 -8.123 -10.613 2.423 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -6.886 -9.868 4.313 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -7.692 -8.312 4.322 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -9.443 -9.137 5.513 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -9.678 -10.449 4.376 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -7.562 -10.445 6.581 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -9.126 -11.225 6.717 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -8.548 -12.596 4.648 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -6.942 -11.896 4.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -7.000 -14.021 5.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -6.641 -12.782 6.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -8.197 -13.461 6.884 1.00 0.00 H new ATOM 432 N SER A 32 -9.852 -7.811 2.466 1.00 0.00 N ATOM 433 CA SER A 32 -11.160 -7.249 2.175 1.00 0.00 C ATOM 434 C SER A 32 -11.278 -6.945 0.680 1.00 0.00 C ATOM 435 O SER A 32 -10.277 -6.929 -0.034 1.00 0.00 O ATOM 436 CB SER A 32 -11.410 -5.982 2.996 1.00 0.00 C ATOM 437 OG SER A 32 -10.651 -5.969 4.202 1.00 0.00 O ATOM 0 H SER A 32 -9.171 -7.142 2.826 1.00 0.00 H new ATOM 0 HA SER A 32 -11.917 -7.983 2.451 1.00 0.00 H new ATOM 0 HB2 SER A 32 -11.156 -5.107 2.398 1.00 0.00 H new ATOM 0 HB3 SER A 32 -12.471 -5.908 3.235 1.00 0.00 H new ATOM 0 HG SER A 32 -10.952 -5.229 4.770 1.00 0.00 H new ATOM 443 N PRO A 33 -12.542 -6.706 0.241 1.00 0.00 N ATOM 444 CA PRO A 33 -12.805 -6.404 -1.156 1.00 0.00 C ATOM 445 C PRO A 33 -12.379 -4.974 -1.497 1.00 0.00 C ATOM 446 O PRO A 33 -12.548 -4.526 -2.630 1.00 0.00 O ATOM 447 CB PRO A 33 -14.296 -6.639 -1.336 1.00 0.00 C ATOM 448 CG PRO A 33 -14.894 -6.612 0.061 1.00 0.00 C ATOM 449 CD PRO A 33 -13.752 -6.717 1.059 1.00 0.00 C ATOM 0 HA PRO A 33 -12.232 -7.033 -1.838 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -14.740 -5.868 -1.966 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -14.485 -7.596 -1.823 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -15.455 -5.691 0.218 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -15.593 -7.438 0.193 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -13.762 -5.884 1.762 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -13.824 -7.631 1.648 1.00 0.00 H new ATOM 457 N GLN A 34 -11.835 -4.299 -0.496 1.00 0.00 N ATOM 458 CA GLN A 34 -11.383 -2.929 -0.675 1.00 0.00 C ATOM 459 C GLN A 34 -10.372 -2.557 0.411 1.00 0.00 C ATOM 460 O GLN A 34 -10.418 -1.455 0.956 1.00 0.00 O ATOM 461 CB GLN A 34 -12.566 -1.958 -0.679 1.00 0.00 C ATOM 462 CG GLN A 34 -13.079 -1.725 -2.102 1.00 0.00 C ATOM 463 CD GLN A 34 -14.568 -2.061 -2.209 1.00 0.00 C ATOM 464 OE1 GLN A 34 -14.976 -2.973 -2.910 1.00 0.00 O ATOM 465 NE2 GLN A 34 -15.354 -1.276 -1.478 1.00 0.00 N ATOM 0 H GLN A 34 -11.697 -4.675 0.442 1.00 0.00 H new ATOM 0 HA GLN A 34 -10.890 -2.853 -1.644 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -13.370 -2.356 -0.059 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -12.263 -1.008 -0.238 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -12.916 -0.685 -2.386 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -12.513 -2.339 -2.802 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -14.947 -0.531 -0.913 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -16.364 -1.419 -1.482 1.00 0.00 H new ATOM 474 N VAL A 35 -9.482 -3.497 0.694 1.00 0.00 N ATOM 475 CA VAL A 35 -8.462 -3.282 1.705 1.00 0.00 C ATOM 476 C VAL A 35 -7.201 -4.062 1.326 1.00 0.00 C ATOM 477 O VAL A 35 -7.270 -5.255 1.035 1.00 0.00 O ATOM 478 CB VAL A 35 -9.005 -3.657 3.086 1.00 0.00 C ATOM 479 CG1 VAL A 35 -7.922 -3.518 4.157 1.00 0.00 C ATOM 480 CG2 VAL A 35 -10.235 -2.819 3.437 1.00 0.00 C ATOM 0 H VAL A 35 -9.447 -4.410 0.240 1.00 0.00 H new ATOM 0 HA VAL A 35 -8.190 -2.228 1.754 1.00 0.00 H new ATOM 0 HB VAL A 35 -9.311 -4.703 3.053 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -8.334 -3.790 5.129 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -7.088 -4.178 3.919 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -7.571 -2.486 4.188 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -10.601 -3.105 4.423 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -9.966 -1.763 3.442 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -11.016 -2.991 2.696 1.00 0.00 H new ATOM 490 N ILE A 36 -6.080 -3.357 1.342 1.00 0.00 N ATOM 491 CA ILE A 36 -4.806 -3.968 1.004 1.00 0.00 C ATOM 492 C ILE A 36 -3.997 -4.192 2.283 1.00 0.00 C ATOM 493 O ILE A 36 -3.887 -3.295 3.117 1.00 0.00 O ATOM 494 CB ILE A 36 -4.074 -3.134 -0.049 1.00 0.00 C ATOM 495 CG1 ILE A 36 -4.760 -3.246 -1.412 1.00 0.00 C ATOM 496 CG2 ILE A 36 -2.594 -3.515 -0.120 1.00 0.00 C ATOM 497 CD1 ILE A 36 -5.033 -1.861 -2.004 1.00 0.00 C ATOM 0 H ILE A 36 -6.027 -2.368 1.584 1.00 0.00 H new ATOM 0 HA ILE A 36 -4.962 -4.947 0.550 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.123 -2.087 0.251 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -4.131 -3.819 -2.093 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -5.698 -3.792 -1.308 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -2.098 -2.907 -0.876 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -2.127 -3.341 0.849 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -2.502 -4.569 -0.384 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -5.521 -1.969 -2.973 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -5.681 -1.299 -1.332 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.091 -1.327 -2.130 1.00 0.00 H new ATOM 509 N LEU A 37 -3.451 -5.394 2.396 1.00 0.00 N ATOM 510 CA LEU A 37 -2.655 -5.747 3.560 1.00 0.00 C ATOM 511 C LEU A 37 -1.234 -6.095 3.113 1.00 0.00 C ATOM 512 O LEU A 37 -1.043 -6.928 2.229 1.00 0.00 O ATOM 513 CB LEU A 37 -3.338 -6.859 4.359 1.00 0.00 C ATOM 514 CG LEU A 37 -4.734 -6.539 4.896 1.00 0.00 C ATOM 515 CD1 LEU A 37 -5.333 -7.746 5.620 1.00 0.00 C ATOM 516 CD2 LEU A 37 -4.708 -5.293 5.783 1.00 0.00 C ATOM 0 H LEU A 37 -3.544 -6.135 1.702 1.00 0.00 H new ATOM 0 HA LEU A 37 -2.577 -4.899 4.240 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -3.408 -7.744 3.726 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -2.697 -7.120 5.201 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.383 -6.317 4.049 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -6.325 -7.491 5.992 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -5.409 -8.585 4.928 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -4.692 -8.023 6.457 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -5.713 -5.088 6.152 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.039 -5.461 6.627 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.353 -4.441 5.203 1.00 0.00 H new ATOM 528 N VAL A 38 -0.272 -5.438 3.745 1.00 0.00 N ATOM 529 CA VAL A 38 1.127 -5.667 3.424 1.00 0.00 C ATOM 530 C VAL A 38 1.862 -6.144 4.678 1.00 0.00 C ATOM 531 O VAL A 38 1.880 -5.449 5.693 1.00 0.00 O ATOM 532 CB VAL A 38 1.738 -4.403 2.817 1.00 0.00 C ATOM 533 CG1 VAL A 38 3.090 -4.705 2.168 1.00 0.00 C ATOM 534 CG2 VAL A 38 0.780 -3.758 1.813 1.00 0.00 C ATOM 0 H VAL A 38 -0.434 -4.747 4.478 1.00 0.00 H new ATOM 0 HA VAL A 38 1.223 -6.451 2.673 1.00 0.00 H new ATOM 0 HB VAL A 38 1.906 -3.691 3.625 1.00 0.00 H new ATOM 0 HG11 VAL A 38 3.503 -3.790 1.744 1.00 0.00 H new ATOM 0 HG12 VAL A 38 3.775 -5.098 2.920 1.00 0.00 H new ATOM 0 HG13 VAL A 38 2.957 -5.443 1.377 1.00 0.00 H new ATOM 0 HG21 VAL A 38 1.239 -2.861 1.396 1.00 0.00 H new ATOM 0 HG22 VAL A 38 0.566 -4.463 1.010 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -0.149 -3.490 2.317 1.00 0.00 H new ATOM 544 N ASN A 39 2.450 -7.326 4.567 1.00 0.00 N ATOM 545 CA ASN A 39 3.185 -7.904 5.679 1.00 0.00 C ATOM 546 C ASN A 39 4.657 -7.499 5.577 1.00 0.00 C ATOM 547 O ASN A 39 5.387 -8.007 4.727 1.00 0.00 O ATOM 548 CB ASN A 39 3.112 -9.432 5.654 1.00 0.00 C ATOM 549 CG ASN A 39 4.011 -10.042 6.730 1.00 0.00 C ATOM 550 OD1 ASN A 39 5.094 -10.538 6.464 1.00 0.00 O ATOM 551 ND2 ASN A 39 3.504 -9.979 7.958 1.00 0.00 N ATOM 0 H ASN A 39 2.432 -7.899 3.724 1.00 0.00 H new ATOM 0 HA ASN A 39 2.740 -7.537 6.604 1.00 0.00 H new ATOM 0 HB2 ASN A 39 2.082 -9.753 5.811 1.00 0.00 H new ATOM 0 HB3 ASN A 39 3.414 -9.798 4.673 1.00 0.00 H new ATOM 0 HD21 ASN A 39 4.028 -10.359 8.746 1.00 0.00 H new ATOM 0 HD22 ASN A 39 2.591 -9.550 8.112 1.00 0.00 H new ATOM 558 N MET A 40 5.050 -6.589 6.456 1.00 0.00 N ATOM 559 CA MET A 40 6.422 -6.111 6.476 1.00 0.00 C ATOM 560 C MET A 40 7.213 -6.760 7.614 1.00 0.00 C ATOM 561 O MET A 40 8.086 -6.128 8.207 1.00 0.00 O ATOM 562 CB MET A 40 6.431 -4.591 6.650 1.00 0.00 C ATOM 563 CG MET A 40 5.544 -3.915 5.603 1.00 0.00 C ATOM 564 SD MET A 40 6.397 -3.838 4.037 1.00 0.00 S ATOM 565 CE MET A 40 7.761 -2.774 4.479 1.00 0.00 C ATOM 0 H MET A 40 4.442 -6.170 7.160 1.00 0.00 H new ATOM 0 HA MET A 40 6.894 -6.380 5.531 1.00 0.00 H new ATOM 0 HB2 MET A 40 6.081 -4.334 7.650 1.00 0.00 H new ATOM 0 HB3 MET A 40 7.451 -4.217 6.564 1.00 0.00 H new ATOM 0 HG2 MET A 40 4.612 -4.469 5.492 1.00 0.00 H new ATOM 0 HG3 MET A 40 5.280 -2.910 5.932 1.00 0.00 H new ATOM 0 HE1 MET A 40 7.621 -1.794 4.023 1.00 0.00 H new ATOM 0 HE2 MET A 40 7.802 -2.667 5.563 1.00 0.00 H new ATOM 0 HE3 MET A 40 8.694 -3.211 4.122 1.00 0.00 H new ATOM 575 N ALA A 41 6.878 -8.013 7.885 1.00 0.00 N ATOM 576 CA ALA A 41 7.546 -8.754 8.941 1.00 0.00 C ATOM 577 C ALA A 41 9.014 -8.963 8.563 1.00 0.00 C ATOM 578 O ALA A 41 9.855 -9.192 9.430 1.00 0.00 O ATOM 579 CB ALA A 41 6.812 -10.076 9.180 1.00 0.00 C ATOM 0 H ALA A 41 6.153 -8.534 7.392 1.00 0.00 H new ATOM 0 HA ALA A 41 7.523 -8.194 9.876 1.00 0.00 H new ATOM 0 HB1 ALA A 41 7.313 -10.632 9.972 1.00 0.00 H new ATOM 0 HB2 ALA A 41 5.783 -9.872 9.475 1.00 0.00 H new ATOM 0 HB3 ALA A 41 6.817 -10.666 8.263 1.00 0.00 H new ATOM 585 N SER A 42 9.276 -8.875 7.267 1.00 0.00 N ATOM 586 CA SER A 42 10.627 -9.051 6.764 1.00 0.00 C ATOM 587 C SER A 42 11.275 -7.688 6.516 1.00 0.00 C ATOM 588 O SER A 42 12.467 -7.607 6.221 1.00 0.00 O ATOM 589 CB SER A 42 10.632 -9.882 5.479 1.00 0.00 C ATOM 590 OG SER A 42 11.550 -10.970 5.550 1.00 0.00 O ATOM 0 H SER A 42 8.575 -8.684 6.551 1.00 0.00 H new ATOM 0 HA SER A 42 11.204 -9.589 7.516 1.00 0.00 H new ATOM 0 HB2 SER A 42 9.629 -10.266 5.291 1.00 0.00 H new ATOM 0 HB3 SER A 42 10.892 -9.243 4.635 1.00 0.00 H new ATOM 0 HG SER A 42 11.522 -11.477 4.712 1.00 0.00 H new ATOM 596 N PHE A 43 10.463 -6.650 6.647 1.00 0.00 N ATOM 597 CA PHE A 43 10.942 -5.293 6.441 1.00 0.00 C ATOM 598 C PHE A 43 10.222 -4.311 7.367 1.00 0.00 C ATOM 599 O PHE A 43 9.490 -3.438 6.904 1.00 0.00 O ATOM 600 CB PHE A 43 10.634 -4.925 4.988 1.00 0.00 C ATOM 601 CG PHE A 43 11.504 -5.655 3.964 1.00 0.00 C ATOM 602 CD1 PHE A 43 11.178 -6.915 3.568 1.00 0.00 C ATOM 603 CD2 PHE A 43 12.605 -5.045 3.448 1.00 0.00 C ATOM 604 CE1 PHE A 43 11.986 -7.593 2.617 1.00 0.00 C ATOM 605 CE2 PHE A 43 13.413 -5.722 2.497 1.00 0.00 C ATOM 606 CZ PHE A 43 13.086 -6.982 2.102 1.00 0.00 C ATOM 0 H PHE A 43 9.476 -6.721 6.893 1.00 0.00 H new ATOM 0 HA PHE A 43 12.009 -5.239 6.657 1.00 0.00 H new ATOM 0 HB2 PHE A 43 9.586 -5.145 4.782 1.00 0.00 H new ATOM 0 HB3 PHE A 43 10.765 -3.850 4.860 1.00 0.00 H new ATOM 0 HD1 PHE A 43 10.304 -7.400 3.977 1.00 0.00 H new ATOM 0 HD2 PHE A 43 12.865 -4.045 3.762 1.00 0.00 H new ATOM 0 HE1 PHE A 43 11.727 -8.593 2.303 1.00 0.00 H new ATOM 0 HE2 PHE A 43 14.287 -5.237 2.087 1.00 0.00 H new ATOM 0 HZ PHE A 43 13.701 -7.497 1.379 1.00 0.00 H new ATOM 616 N PRO A 44 10.461 -4.491 8.694 1.00 0.00 N ATOM 617 CA PRO A 44 9.844 -3.631 9.689 1.00 0.00 C ATOM 618 C PRO A 44 10.516 -2.257 9.719 1.00 0.00 C ATOM 619 O PRO A 44 10.074 -1.361 10.436 1.00 0.00 O ATOM 620 CB PRO A 44 9.980 -4.387 11.001 1.00 0.00 C ATOM 621 CG PRO A 44 11.071 -5.421 10.775 1.00 0.00 C ATOM 622 CD PRO A 44 11.323 -5.514 9.279 1.00 0.00 C ATOM 0 HA PRO A 44 8.797 -3.421 9.472 1.00 0.00 H new ATOM 0 HB2 PRO A 44 10.244 -3.712 11.815 1.00 0.00 H new ATOM 0 HB3 PRO A 44 9.040 -4.865 11.276 1.00 0.00 H new ATOM 0 HG2 PRO A 44 11.983 -5.134 11.299 1.00 0.00 H new ATOM 0 HG3 PRO A 44 10.767 -6.390 11.172 1.00 0.00 H new ATOM 0 HD2 PRO A 44 12.371 -5.332 9.042 1.00 0.00 H new ATOM 0 HD3 PRO A 44 11.077 -6.505 8.897 1.00 0.00 H new ATOM 630 N GLU A 45 11.574 -2.134 8.931 1.00 0.00 N ATOM 631 CA GLU A 45 12.312 -0.884 8.858 1.00 0.00 C ATOM 632 C GLU A 45 11.956 -0.132 7.574 1.00 0.00 C ATOM 633 O GLU A 45 12.223 1.063 7.456 1.00 0.00 O ATOM 634 CB GLU A 45 13.819 -1.131 8.950 1.00 0.00 C ATOM 635 CG GLU A 45 14.346 -1.784 7.670 1.00 0.00 C ATOM 636 CD GLU A 45 15.872 -1.699 7.600 1.00 0.00 C ATOM 637 OE1 GLU A 45 16.404 -0.659 8.046 1.00 0.00 O ATOM 638 OE2 GLU A 45 16.473 -2.676 7.103 1.00 0.00 O ATOM 0 H GLU A 45 11.938 -2.879 8.337 1.00 0.00 H new ATOM 0 HA GLU A 45 12.026 -0.265 9.709 1.00 0.00 H new ATOM 0 HB2 GLU A 45 14.336 -0.187 9.121 1.00 0.00 H new ATOM 0 HB3 GLU A 45 14.035 -1.772 9.805 1.00 0.00 H new ATOM 0 HG2 GLU A 45 14.034 -2.828 7.635 1.00 0.00 H new ATOM 0 HG3 GLU A 45 13.910 -1.292 6.800 1.00 0.00 H new ATOM 645 N CYS A 46 11.359 -0.863 6.644 1.00 0.00 N ATOM 646 CA CYS A 46 10.964 -0.280 5.373 1.00 0.00 C ATOM 647 C CYS A 46 9.463 0.013 5.425 1.00 0.00 C ATOM 648 O CYS A 46 8.891 0.514 4.458 1.00 0.00 O ATOM 649 CB CYS A 46 11.328 -1.188 4.197 1.00 0.00 C ATOM 650 SG CYS A 46 12.554 -0.357 3.122 1.00 0.00 S ATOM 0 H CYS A 46 11.139 -1.854 6.745 1.00 0.00 H new ATOM 0 HA CYS A 46 11.509 0.650 5.211 1.00 0.00 H new ATOM 0 HB2 CYS A 46 11.734 -2.130 4.566 1.00 0.00 H new ATOM 0 HB3 CYS A 46 10.433 -1.430 3.623 1.00 0.00 H new ATOM 0 HG CYS A 46 12.858 -1.137 2.128 1.00 0.00 H new ATOM 656 N THR A 47 8.868 -0.313 6.563 1.00 0.00 N ATOM 657 CA THR A 47 7.444 -0.091 6.753 1.00 0.00 C ATOM 658 C THR A 47 7.050 1.301 6.255 1.00 0.00 C ATOM 659 O THR A 47 6.115 1.440 5.468 1.00 0.00 O ATOM 660 CB THR A 47 7.124 -0.320 8.231 1.00 0.00 C ATOM 661 OG1 THR A 47 7.585 -1.645 8.485 1.00 0.00 O ATOM 662 CG2 THR A 47 5.619 -0.392 8.500 1.00 0.00 C ATOM 0 H THR A 47 9.345 -0.729 7.363 1.00 0.00 H new ATOM 0 HA THR A 47 6.852 -0.792 6.164 1.00 0.00 H new ATOM 0 HB THR A 47 7.561 0.482 8.825 1.00 0.00 H new ATOM 0 HG1 THR A 47 7.150 -1.994 9.291 1.00 0.00 H new ATOM 0 HG21 THR A 47 5.447 -0.556 9.564 1.00 0.00 H new ATOM 0 HG22 THR A 47 5.150 0.544 8.196 1.00 0.00 H new ATOM 0 HG23 THR A 47 5.187 -1.216 7.932 1.00 0.00 H new ATOM 670 N ALA A 48 7.783 2.295 6.734 1.00 0.00 N ATOM 671 CA ALA A 48 7.521 3.671 6.347 1.00 0.00 C ATOM 672 C ALA A 48 7.627 3.797 4.826 1.00 0.00 C ATOM 673 O ALA A 48 6.728 4.334 4.180 1.00 0.00 O ATOM 674 CB ALA A 48 8.492 4.601 7.078 1.00 0.00 C ATOM 0 H ALA A 48 8.558 2.175 7.386 1.00 0.00 H new ATOM 0 HA ALA A 48 6.511 3.964 6.633 1.00 0.00 H new ATOM 0 HB1 ALA A 48 8.295 5.633 6.788 1.00 0.00 H new ATOM 0 HB2 ALA A 48 8.357 4.495 8.154 1.00 0.00 H new ATOM 0 HB3 ALA A 48 9.516 4.338 6.813 1.00 0.00 H new ATOM 680 N ALA A 49 8.733 3.294 4.297 1.00 0.00 N ATOM 681 CA ALA A 49 8.967 3.344 2.864 1.00 0.00 C ATOM 682 C ALA A 49 7.657 3.060 2.127 1.00 0.00 C ATOM 683 O ALA A 49 7.185 3.889 1.351 1.00 0.00 O ATOM 684 CB ALA A 49 10.072 2.353 2.493 1.00 0.00 C ATOM 0 H ALA A 49 9.477 2.850 4.835 1.00 0.00 H new ATOM 0 HA ALA A 49 9.305 4.336 2.564 1.00 0.00 H new ATOM 0 HB1 ALA A 49 10.248 2.390 1.418 1.00 0.00 H new ATOM 0 HB2 ALA A 49 10.989 2.616 3.020 1.00 0.00 H new ATOM 0 HB3 ALA A 49 9.767 1.346 2.776 1.00 0.00 H new ATOM 690 N ALA A 50 7.107 1.885 2.396 1.00 0.00 N ATOM 691 CA ALA A 50 5.861 1.481 1.768 1.00 0.00 C ATOM 692 C ALA A 50 4.834 2.605 1.913 1.00 0.00 C ATOM 693 O ALA A 50 4.409 3.195 0.920 1.00 0.00 O ATOM 694 CB ALA A 50 5.379 0.167 2.388 1.00 0.00 C ATOM 0 H ALA A 50 7.502 1.200 3.040 1.00 0.00 H new ATOM 0 HA ALA A 50 6.008 1.304 0.703 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.444 -0.136 1.917 1.00 0.00 H new ATOM 0 HB2 ALA A 50 6.131 -0.606 2.232 1.00 0.00 H new ATOM 0 HB3 ALA A 50 5.218 0.307 3.457 1.00 0.00 H new ATOM 700 N ILE A 51 4.464 2.869 3.157 1.00 0.00 N ATOM 701 CA ILE A 51 3.495 3.913 3.445 1.00 0.00 C ATOM 702 C ILE A 51 3.762 5.115 2.537 1.00 0.00 C ATOM 703 O ILE A 51 2.855 5.603 1.864 1.00 0.00 O ATOM 704 CB ILE A 51 3.502 4.255 4.936 1.00 0.00 C ATOM 705 CG1 ILE A 51 2.813 3.160 5.753 1.00 0.00 C ATOM 706 CG2 ILE A 51 2.884 5.632 5.186 1.00 0.00 C ATOM 707 CD1 ILE A 51 3.657 2.769 6.968 1.00 0.00 C ATOM 0 H ILE A 51 4.818 2.378 3.978 1.00 0.00 H new ATOM 0 HA ILE A 51 2.485 3.566 3.227 1.00 0.00 H new ATOM 0 HB ILE A 51 4.538 4.302 5.271 1.00 0.00 H new ATOM 0 HG12 ILE A 51 1.834 3.509 6.083 1.00 0.00 H new ATOM 0 HG13 ILE A 51 2.645 2.285 5.126 1.00 0.00 H new ATOM 0 HG21 ILE A 51 2.902 5.850 6.254 1.00 0.00 H new ATOM 0 HG22 ILE A 51 3.456 6.390 4.651 1.00 0.00 H new ATOM 0 HG23 ILE A 51 1.853 5.638 4.831 1.00 0.00 H new ATOM 0 HD11 ILE A 51 3.144 1.989 7.531 1.00 0.00 H new ATOM 0 HD12 ILE A 51 4.626 2.398 6.634 1.00 0.00 H new ATOM 0 HD13 ILE A 51 3.803 3.641 7.606 1.00 0.00 H new ATOM 719 N LYS A 52 5.010 5.559 2.548 1.00 0.00 N ATOM 720 CA LYS A 52 5.408 6.695 1.734 1.00 0.00 C ATOM 721 C LYS A 52 4.949 6.469 0.292 1.00 0.00 C ATOM 722 O LYS A 52 4.071 7.176 -0.201 1.00 0.00 O ATOM 723 CB LYS A 52 6.911 6.950 1.868 1.00 0.00 C ATOM 724 CG LYS A 52 7.181 8.310 2.513 1.00 0.00 C ATOM 725 CD LYS A 52 8.341 8.226 3.506 1.00 0.00 C ATOM 726 CE LYS A 52 8.012 8.974 4.799 1.00 0.00 C ATOM 727 NZ LYS A 52 9.040 8.707 5.830 1.00 0.00 N ATOM 0 H LYS A 52 5.759 5.152 3.108 1.00 0.00 H new ATOM 0 HA LYS A 52 4.921 7.605 2.085 1.00 0.00 H new ATOM 0 HB2 LYS A 52 7.365 6.162 2.469 1.00 0.00 H new ATOM 0 HB3 LYS A 52 7.379 6.911 0.884 1.00 0.00 H new ATOM 0 HG2 LYS A 52 7.412 9.043 1.740 1.00 0.00 H new ATOM 0 HG3 LYS A 52 6.284 8.658 3.025 1.00 0.00 H new ATOM 0 HD2 LYS A 52 8.557 7.182 3.731 1.00 0.00 H new ATOM 0 HD3 LYS A 52 9.240 8.648 3.057 1.00 0.00 H new ATOM 0 HE2 LYS A 52 7.956 10.045 4.602 1.00 0.00 H new ATOM 0 HE3 LYS A 52 7.033 8.665 5.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 8.801 9.223 6.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 9.074 7.687 6.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 9.969 9.023 5.485 1.00 0.00 H new ATOM 741 N ALA A 53 5.562 5.482 -0.343 1.00 0.00 N ATOM 742 CA ALA A 53 5.227 5.154 -1.719 1.00 0.00 C ATOM 743 C ALA A 53 3.750 5.468 -1.968 1.00 0.00 C ATOM 744 O ALA A 53 3.422 6.288 -2.824 1.00 0.00 O ATOM 745 CB ALA A 53 5.565 3.687 -1.991 1.00 0.00 C ATOM 0 H ALA A 53 6.289 4.898 0.070 1.00 0.00 H new ATOM 0 HA ALA A 53 5.814 5.757 -2.411 1.00 0.00 H new ATOM 0 HB1 ALA A 53 5.314 3.441 -3.023 1.00 0.00 H new ATOM 0 HB2 ALA A 53 6.630 3.523 -1.828 1.00 0.00 H new ATOM 0 HB3 ALA A 53 4.992 3.051 -1.317 1.00 0.00 H new ATOM 751 N ILE A 54 2.899 4.800 -1.203 1.00 0.00 N ATOM 752 CA ILE A 54 1.465 4.997 -1.330 1.00 0.00 C ATOM 753 C ILE A 54 1.166 6.496 -1.404 1.00 0.00 C ATOM 754 O ILE A 54 0.714 6.992 -2.436 1.00 0.00 O ATOM 755 CB ILE A 54 0.723 4.276 -0.203 1.00 0.00 C ATOM 756 CG1 ILE A 54 0.884 2.760 -0.323 1.00 0.00 C ATOM 757 CG2 ILE A 54 -0.748 4.695 -0.159 1.00 0.00 C ATOM 758 CD1 ILE A 54 1.730 2.206 0.825 1.00 0.00 C ATOM 0 H ILE A 54 3.175 4.122 -0.493 1.00 0.00 H new ATOM 0 HA ILE A 54 1.099 4.552 -2.256 1.00 0.00 H new ATOM 0 HB ILE A 54 1.171 4.573 0.745 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -0.097 2.285 -0.319 1.00 0.00 H new ATOM 0 HG13 ILE A 54 1.353 2.515 -1.276 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -1.252 4.168 0.651 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -0.815 5.770 0.010 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -1.226 4.446 -1.107 1.00 0.00 H new ATOM 0 HD11 ILE A 54 1.829 1.126 0.716 1.00 0.00 H new ATOM 0 HD12 ILE A 54 2.718 2.665 0.803 1.00 0.00 H new ATOM 0 HD13 ILE A 54 1.246 2.432 1.775 1.00 0.00 H new ATOM 770 N ARG A 55 1.429 7.174 -0.298 1.00 0.00 N ATOM 771 CA ARG A 55 1.193 8.606 -0.224 1.00 0.00 C ATOM 772 C ARG A 55 1.932 9.325 -1.354 1.00 0.00 C ATOM 773 O ARG A 55 1.565 10.436 -1.733 1.00 0.00 O ATOM 774 CB ARG A 55 1.656 9.173 1.120 1.00 0.00 C ATOM 775 CG ARG A 55 0.655 8.842 2.229 1.00 0.00 C ATOM 776 CD ARG A 55 1.333 8.081 3.370 1.00 0.00 C ATOM 777 NE ARG A 55 2.186 9.001 4.155 1.00 0.00 N ATOM 778 CZ ARG A 55 1.724 9.835 5.096 1.00 0.00 C ATOM 779 NH1 ARG A 55 0.413 9.871 5.375 1.00 0.00 N ATOM 780 NH2 ARG A 55 2.571 10.634 5.758 1.00 0.00 N ATOM 0 H ARG A 55 1.803 6.759 0.555 1.00 0.00 H new ATOM 0 HA ARG A 55 0.120 8.770 -0.324 1.00 0.00 H new ATOM 0 HB2 ARG A 55 2.634 8.764 1.374 1.00 0.00 H new ATOM 0 HB3 ARG A 55 1.773 10.254 1.042 1.00 0.00 H new ATOM 0 HG2 ARG A 55 0.214 9.762 2.612 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -0.160 8.244 1.822 1.00 0.00 H new ATOM 0 HD2 ARG A 55 0.579 7.630 4.016 1.00 0.00 H new ATOM 0 HD3 ARG A 55 1.936 7.267 2.968 1.00 0.00 H new ATOM 0 HE ARG A 55 3.189 9.000 3.968 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -0.233 9.263 4.871 1.00 0.00 H new ATOM 0 HH12 ARG A 55 0.061 10.506 6.092 1.00 0.00 H new ATOM 0 HH21 ARG A 55 3.568 10.608 5.546 1.00 0.00 H new ATOM 0 HH22 ARG A 55 2.219 11.269 6.474 1.00 0.00 H new ATOM 794 N GLU A 56 2.960 8.661 -1.862 1.00 0.00 N ATOM 795 CA GLU A 56 3.754 9.222 -2.942 1.00 0.00 C ATOM 796 C GLU A 56 3.412 8.534 -4.265 1.00 0.00 C ATOM 797 O GLU A 56 4.225 8.517 -5.188 1.00 0.00 O ATOM 798 CB GLU A 56 5.249 9.112 -2.637 1.00 0.00 C ATOM 799 CG GLU A 56 5.650 10.063 -1.507 1.00 0.00 C ATOM 800 CD GLU A 56 6.958 10.785 -1.835 1.00 0.00 C ATOM 801 OE1 GLU A 56 6.869 11.870 -2.450 1.00 0.00 O ATOM 802 OE2 GLU A 56 8.018 10.235 -1.465 1.00 0.00 O ATOM 0 H GLU A 56 3.261 7.739 -1.545 1.00 0.00 H new ATOM 0 HA GLU A 56 3.512 10.281 -3.033 1.00 0.00 H new ATOM 0 HB2 GLU A 56 5.492 8.087 -2.358 1.00 0.00 H new ATOM 0 HB3 GLU A 56 5.825 9.343 -3.533 1.00 0.00 H new ATOM 0 HG2 GLU A 56 4.858 10.794 -1.344 1.00 0.00 H new ATOM 0 HG3 GLU A 56 5.763 9.503 -0.579 1.00 0.00 H new ATOM 809 N SER A 57 2.208 7.983 -4.315 1.00 0.00 N ATOM 810 CA SER A 57 1.749 7.296 -5.510 1.00 0.00 C ATOM 811 C SER A 57 0.665 8.122 -6.205 1.00 0.00 C ATOM 812 O SER A 57 -0.266 7.567 -6.786 1.00 0.00 O ATOM 813 CB SER A 57 1.219 5.900 -5.174 1.00 0.00 C ATOM 814 OG SER A 57 2.249 5.039 -4.696 1.00 0.00 O ATOM 0 H SER A 57 1.537 7.998 -3.547 1.00 0.00 H new ATOM 0 HA SER A 57 2.597 7.180 -6.185 1.00 0.00 H new ATOM 0 HB2 SER A 57 0.436 5.981 -4.420 1.00 0.00 H new ATOM 0 HB3 SER A 57 0.763 5.462 -6.062 1.00 0.00 H new ATOM 0 HG SER A 57 2.936 5.571 -4.243 1.00 0.00 H new ATOM 820 N GLY A 58 0.823 9.435 -6.124 1.00 0.00 N ATOM 821 CA GLY A 58 -0.131 10.343 -6.738 1.00 0.00 C ATOM 822 C GLY A 58 -1.562 9.828 -6.572 1.00 0.00 C ATOM 823 O GLY A 58 -2.341 9.831 -7.524 1.00 0.00 O ATOM 0 H GLY A 58 1.597 9.892 -5.642 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -0.041 11.331 -6.286 1.00 0.00 H new ATOM 0 HA3 GLY A 58 0.098 10.455 -7.798 1.00 0.00 H new ATOM 827 N MET A 59 -1.866 9.400 -5.355 1.00 0.00 N ATOM 828 CA MET A 59 -3.190 8.884 -5.053 1.00 0.00 C ATOM 829 C MET A 59 -3.880 9.737 -3.986 1.00 0.00 C ATOM 830 O MET A 59 -5.098 9.908 -4.015 1.00 0.00 O ATOM 831 CB MET A 59 -3.075 7.441 -4.557 1.00 0.00 C ATOM 832 CG MET A 59 -3.215 6.451 -5.715 1.00 0.00 C ATOM 833 SD MET A 59 -3.672 4.842 -5.090 1.00 0.00 S ATOM 834 CE MET A 59 -2.086 4.024 -5.152 1.00 0.00 C ATOM 0 H MET A 59 -1.218 9.400 -4.567 1.00 0.00 H new ATOM 0 HA MET A 59 -3.789 8.918 -5.963 1.00 0.00 H new ATOM 0 HB2 MET A 59 -2.113 7.297 -4.065 1.00 0.00 H new ATOM 0 HB3 MET A 59 -3.846 7.246 -3.812 1.00 0.00 H new ATOM 0 HG2 MET A 59 -3.969 6.805 -6.418 1.00 0.00 H new ATOM 0 HG3 MET A 59 -2.275 6.384 -6.263 1.00 0.00 H new ATOM 0 HE1 MET A 59 -2.187 3.006 -4.777 1.00 0.00 H new ATOM 0 HE2 MET A 59 -1.730 3.997 -6.182 1.00 0.00 H new ATOM 0 HE3 MET A 59 -1.371 4.569 -4.535 1.00 0.00 H new ATOM 844 N ASN A 60 -3.072 10.249 -3.070 1.00 0.00 N ATOM 845 CA ASN A 60 -3.590 11.080 -1.996 1.00 0.00 C ATOM 846 C ASN A 60 -4.484 10.233 -1.088 1.00 0.00 C ATOM 847 O ASN A 60 -5.603 10.631 -0.767 1.00 0.00 O ATOM 848 CB ASN A 60 -4.432 12.232 -2.548 1.00 0.00 C ATOM 849 CG ASN A 60 -3.745 12.887 -3.748 1.00 0.00 C ATOM 850 OD1 ASN A 60 -4.188 12.785 -4.880 1.00 0.00 O ATOM 851 ND2 ASN A 60 -2.642 13.562 -3.438 1.00 0.00 N ATOM 0 H ASN A 60 -2.062 10.105 -3.049 1.00 0.00 H new ATOM 0 HA ASN A 60 -2.742 11.486 -1.444 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -5.413 11.861 -2.844 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -4.595 12.975 -1.767 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -2.111 14.035 -4.169 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -2.327 13.607 -2.469 1.00 0.00 H new ATOM 858 N LEU A 61 -3.957 9.081 -0.699 1.00 0.00 N ATOM 859 CA LEU A 61 -4.694 8.175 0.165 1.00 0.00 C ATOM 860 C LEU A 61 -4.078 8.200 1.566 1.00 0.00 C ATOM 861 O LEU A 61 -2.998 8.755 1.763 1.00 0.00 O ATOM 862 CB LEU A 61 -4.758 6.777 -0.453 1.00 0.00 C ATOM 863 CG LEU A 61 -5.744 6.600 -1.610 1.00 0.00 C ATOM 864 CD1 LEU A 61 -5.368 5.393 -2.471 1.00 0.00 C ATOM 865 CD2 LEU A 61 -7.182 6.512 -1.096 1.00 0.00 C ATOM 0 H LEU A 61 -3.028 8.755 -0.966 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.729 8.502 0.264 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.762 6.512 -0.807 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -5.017 6.066 0.331 1.00 0.00 H new ATOM 0 HG LEU A 61 -5.684 7.482 -2.248 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -6.085 5.290 -3.286 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -4.369 5.537 -2.882 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -5.382 4.491 -1.859 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -7.862 6.386 -1.938 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -7.276 5.660 -0.423 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -7.433 7.427 -0.560 1.00 0.00 H new ATOM 877 N ASN A 62 -4.791 7.592 2.502 1.00 0.00 N ATOM 878 CA ASN A 62 -4.328 7.538 3.878 1.00 0.00 C ATOM 879 C ASN A 62 -4.060 6.082 4.264 1.00 0.00 C ATOM 880 O ASN A 62 -4.946 5.396 4.772 1.00 0.00 O ATOM 881 CB ASN A 62 -5.383 8.094 4.837 1.00 0.00 C ATOM 882 CG ASN A 62 -4.731 8.675 6.093 1.00 0.00 C ATOM 883 OD1 ASN A 62 -4.739 8.081 7.159 1.00 0.00 O ATOM 884 ND2 ASN A 62 -4.169 9.865 5.909 1.00 0.00 N ATOM 0 H ASN A 62 -5.686 7.132 2.335 1.00 0.00 H new ATOM 0 HA ASN A 62 -3.421 8.138 3.952 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -5.965 8.867 4.335 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -6.078 7.303 5.117 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -3.708 10.337 6.687 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -4.199 10.306 4.990 1.00 0.00 H new ATOM 891 N PRO A 63 -2.800 5.640 4.002 1.00 0.00 N ATOM 892 CA PRO A 63 -2.404 4.278 4.316 1.00 0.00 C ATOM 893 C PRO A 63 -2.189 4.103 5.821 1.00 0.00 C ATOM 894 O PRO A 63 -1.601 4.965 6.472 1.00 0.00 O ATOM 895 CB PRO A 63 -1.141 4.039 3.505 1.00 0.00 C ATOM 896 CG PRO A 63 -0.619 5.417 3.130 1.00 0.00 C ATOM 897 CD PRO A 63 -1.725 6.424 3.402 1.00 0.00 C ATOM 0 HA PRO A 63 -3.171 3.547 4.060 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -0.403 3.486 4.086 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -1.354 3.447 2.615 1.00 0.00 H new ATOM 0 HG2 PRO A 63 0.270 5.660 3.712 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -0.329 5.443 2.080 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -1.386 7.212 4.075 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -2.054 6.909 2.483 1.00 0.00 H new ATOM 905 N GLU A 64 -2.678 2.982 6.330 1.00 0.00 N ATOM 906 CA GLU A 64 -2.548 2.683 7.745 1.00 0.00 C ATOM 907 C GLU A 64 -1.471 1.618 7.966 1.00 0.00 C ATOM 908 O GLU A 64 -1.206 0.806 7.081 1.00 0.00 O ATOM 909 CB GLU A 64 -3.887 2.239 8.338 1.00 0.00 C ATOM 910 CG GLU A 64 -3.684 1.524 9.676 1.00 0.00 C ATOM 911 CD GLU A 64 -3.237 2.506 10.760 1.00 0.00 C ATOM 912 OE1 GLU A 64 -3.696 3.667 10.699 1.00 0.00 O ATOM 913 OE2 GLU A 64 -2.446 2.074 11.626 1.00 0.00 O ATOM 0 H GLU A 64 -3.165 2.269 5.787 1.00 0.00 H new ATOM 0 HA GLU A 64 -2.243 3.593 8.261 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -4.532 3.106 8.479 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -4.396 1.574 7.640 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -4.613 1.041 9.979 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -2.938 0.738 9.563 1.00 0.00 H new ATOM 920 N VAL A 65 -0.880 1.656 9.151 1.00 0.00 N ATOM 921 CA VAL A 65 0.162 0.704 9.499 1.00 0.00 C ATOM 922 C VAL A 65 0.052 0.355 10.984 1.00 0.00 C ATOM 923 O VAL A 65 0.082 1.240 11.838 1.00 0.00 O ATOM 924 CB VAL A 65 1.532 1.267 9.117 1.00 0.00 C ATOM 925 CG1 VAL A 65 1.911 2.445 10.015 1.00 0.00 C ATOM 926 CG2 VAL A 65 2.604 0.176 9.162 1.00 0.00 C ATOM 0 H VAL A 65 -1.103 2.331 9.883 1.00 0.00 H new ATOM 0 HA VAL A 65 0.037 -0.222 8.938 1.00 0.00 H new ATOM 0 HB VAL A 65 1.470 1.634 8.093 1.00 0.00 H new ATOM 0 HG11 VAL A 65 2.889 2.826 9.722 1.00 0.00 H new ATOM 0 HG12 VAL A 65 1.168 3.235 9.911 1.00 0.00 H new ATOM 0 HG13 VAL A 65 1.947 2.114 11.053 1.00 0.00 H new ATOM 0 HG21 VAL A 65 3.569 0.602 8.886 1.00 0.00 H new ATOM 0 HG22 VAL A 65 2.663 -0.234 10.170 1.00 0.00 H new ATOM 0 HG23 VAL A 65 2.345 -0.618 8.462 1.00 0.00 H new ATOM 936 N GLU A 66 -0.074 -0.938 11.247 1.00 0.00 N ATOM 937 CA GLU A 66 -0.188 -1.416 12.615 1.00 0.00 C ATOM 938 C GLU A 66 0.849 -2.507 12.884 1.00 0.00 C ATOM 939 O GLU A 66 0.689 -3.643 12.440 1.00 0.00 O ATOM 940 CB GLU A 66 -1.604 -1.921 12.902 1.00 0.00 C ATOM 941 CG GLU A 66 -2.188 -1.241 14.142 1.00 0.00 C ATOM 942 CD GLU A 66 -3.540 -1.850 14.516 1.00 0.00 C ATOM 943 OE1 GLU A 66 -4.454 -1.769 13.666 1.00 0.00 O ATOM 944 OE2 GLU A 66 -3.630 -2.383 15.643 1.00 0.00 O ATOM 0 H GLU A 66 -0.100 -1.669 10.536 1.00 0.00 H new ATOM 0 HA GLU A 66 0.009 -0.582 13.289 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -2.244 -1.728 12.041 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -1.586 -3.001 13.050 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -1.495 -1.344 14.977 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -2.305 -0.174 13.954 1.00 0.00 H new ATOM 951 N GLY A 67 1.889 -2.125 13.610 1.00 0.00 N ATOM 952 CA GLY A 67 2.952 -3.057 13.944 1.00 0.00 C ATOM 953 C GLY A 67 3.857 -3.312 12.737 1.00 0.00 C ATOM 954 O GLY A 67 4.885 -2.655 12.578 1.00 0.00 O ATOM 0 H GLY A 67 2.018 -1.182 13.977 1.00 0.00 H new ATOM 0 HA2 GLY A 67 3.543 -2.659 14.769 1.00 0.00 H new ATOM 0 HA3 GLY A 67 2.521 -3.998 14.285 1.00 0.00 H new ATOM 958 N THR A 68 3.442 -4.267 11.918 1.00 0.00 N ATOM 959 CA THR A 68 4.203 -4.616 10.730 1.00 0.00 C ATOM 960 C THR A 68 3.263 -4.853 9.546 1.00 0.00 C ATOM 961 O THR A 68 3.683 -5.360 8.507 1.00 0.00 O ATOM 962 CB THR A 68 5.074 -5.828 11.066 1.00 0.00 C ATOM 963 OG1 THR A 68 4.277 -6.589 11.970 1.00 0.00 O ATOM 964 CG2 THR A 68 6.310 -5.451 11.885 1.00 0.00 C ATOM 0 H THR A 68 2.589 -4.810 12.053 1.00 0.00 H new ATOM 0 HA THR A 68 4.859 -3.800 10.426 1.00 0.00 H new ATOM 0 HB THR A 68 5.385 -6.318 10.144 1.00 0.00 H new ATOM 0 HG1 THR A 68 4.766 -7.395 12.238 1.00 0.00 H new ATOM 0 HG21 THR A 68 6.894 -6.347 12.096 1.00 0.00 H new ATOM 0 HG22 THR A 68 6.920 -4.746 11.320 1.00 0.00 H new ATOM 0 HG23 THR A 68 5.999 -4.991 12.823 1.00 0.00 H new ATOM 972 N LEU A 69 2.009 -4.474 9.742 1.00 0.00 N ATOM 973 CA LEU A 69 1.006 -4.639 8.703 1.00 0.00 C ATOM 974 C LEU A 69 0.621 -3.266 8.150 1.00 0.00 C ATOM 975 O LEU A 69 0.735 -2.258 8.845 1.00 0.00 O ATOM 976 CB LEU A 69 -0.183 -5.446 9.230 1.00 0.00 C ATOM 977 CG LEU A 69 -0.261 -6.903 8.771 1.00 0.00 C ATOM 978 CD1 LEU A 69 -0.692 -6.994 7.306 1.00 0.00 C ATOM 979 CD2 LEU A 69 1.062 -7.629 9.025 1.00 0.00 C ATOM 0 H LEU A 69 1.664 -4.053 10.605 1.00 0.00 H new ATOM 0 HA LEU A 69 1.410 -5.216 7.871 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.153 -5.430 10.319 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.101 -4.941 8.929 1.00 0.00 H new ATOM 0 HG LEU A 69 -1.025 -7.407 9.363 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.739 -8.041 7.005 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.674 -6.537 7.187 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.030 -6.469 6.681 1.00 0.00 H new ATOM 0 HD21 LEU A 69 0.980 -8.663 8.690 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.861 -7.132 8.475 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.289 -7.610 10.091 1.00 0.00 H new ATOM 991 N ILE A 70 0.173 -3.271 6.903 1.00 0.00 N ATOM 992 CA ILE A 70 -0.230 -2.038 6.248 1.00 0.00 C ATOM 993 C ILE A 70 -1.632 -2.211 5.662 1.00 0.00 C ATOM 994 O ILE A 70 -1.805 -2.878 4.643 1.00 0.00 O ATOM 995 CB ILE A 70 0.818 -1.611 5.218 1.00 0.00 C ATOM 996 CG1 ILE A 70 2.234 -1.783 5.773 1.00 0.00 C ATOM 997 CG2 ILE A 70 0.562 -0.182 4.735 1.00 0.00 C ATOM 998 CD1 ILE A 70 3.282 -1.367 4.740 1.00 0.00 C ATOM 0 H ILE A 70 0.080 -4.109 6.329 1.00 0.00 H new ATOM 0 HA ILE A 70 -0.284 -1.224 6.970 1.00 0.00 H new ATOM 0 HB ILE A 70 0.730 -2.265 4.350 1.00 0.00 H new ATOM 0 HG12 ILE A 70 2.350 -1.183 6.676 1.00 0.00 H new ATOM 0 HG13 ILE A 70 2.393 -2.823 6.059 1.00 0.00 H new ATOM 0 HG21 ILE A 70 1.321 0.096 4.004 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -0.424 -0.125 4.274 1.00 0.00 H new ATOM 0 HG23 ILE A 70 0.606 0.502 5.583 1.00 0.00 H new ATOM 0 HD11 ILE A 70 4.279 -1.499 5.160 1.00 0.00 H new ATOM 0 HD12 ILE A 70 3.179 -1.985 3.848 1.00 0.00 H new ATOM 0 HD13 ILE A 70 3.136 -0.320 4.475 1.00 0.00 H new ATOM 1010 N ARG A 71 -2.599 -1.599 6.330 1.00 0.00 N ATOM 1011 CA ARG A 71 -3.980 -1.677 5.889 1.00 0.00 C ATOM 1012 C ARG A 71 -4.353 -0.428 5.088 1.00 0.00 C ATOM 1013 O ARG A 71 -4.413 0.671 5.638 1.00 0.00 O ATOM 1014 CB ARG A 71 -4.932 -1.815 7.079 1.00 0.00 C ATOM 1015 CG ARG A 71 -6.127 -2.703 6.725 1.00 0.00 C ATOM 1016 CD ARG A 71 -7.417 -2.155 7.339 1.00 0.00 C ATOM 1017 NE ARG A 71 -7.689 -2.828 8.629 1.00 0.00 N ATOM 1018 CZ ARG A 71 -8.865 -2.778 9.269 1.00 0.00 C ATOM 1019 NH1 ARG A 71 -9.885 -2.086 8.744 1.00 0.00 N ATOM 1020 NH2 ARG A 71 -9.021 -3.419 10.436 1.00 0.00 N ATOM 0 H ARG A 71 -2.452 -1.046 7.175 1.00 0.00 H new ATOM 0 HA ARG A 71 -4.077 -2.560 5.257 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -4.398 -2.240 7.929 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -5.284 -0.830 7.384 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -6.232 -2.763 5.642 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -5.951 -3.717 7.085 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -7.328 -1.079 7.492 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -8.251 -2.312 6.655 1.00 0.00 H new ATOM 0 HE ARG A 71 -6.934 -3.363 9.058 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -9.766 -1.597 7.857 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -10.780 -2.048 9.232 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -8.244 -3.945 10.837 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -9.916 -3.381 10.923 1.00 0.00 H new ATOM 1034 N VAL A 72 -4.594 -0.638 3.802 1.00 0.00 N ATOM 1035 CA VAL A 72 -4.960 0.458 2.921 1.00 0.00 C ATOM 1036 C VAL A 72 -6.369 0.219 2.375 1.00 0.00 C ATOM 1037 O VAL A 72 -6.548 -0.527 1.413 1.00 0.00 O ATOM 1038 CB VAL A 72 -3.910 0.615 1.818 1.00 0.00 C ATOM 1039 CG1 VAL A 72 -4.554 1.082 0.511 1.00 0.00 C ATOM 1040 CG2 VAL A 72 -2.797 1.569 2.253 1.00 0.00 C ATOM 0 H VAL A 72 -4.543 -1.551 3.349 1.00 0.00 H new ATOM 0 HA VAL A 72 -4.980 1.399 3.470 1.00 0.00 H new ATOM 0 HB VAL A 72 -3.462 -0.363 1.640 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -3.787 1.186 -0.256 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -5.294 0.349 0.188 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -5.041 2.044 0.669 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -2.064 1.663 1.451 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -3.222 2.548 2.472 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -2.310 1.177 3.146 1.00 0.00 H new ATOM 1050 N PRO A 73 -7.359 0.884 3.029 1.00 0.00 N ATOM 1051 CA PRO A 73 -8.747 0.752 2.620 1.00 0.00 C ATOM 1052 C PRO A 73 -9.018 1.540 1.337 1.00 0.00 C ATOM 1053 O PRO A 73 -8.580 2.682 1.202 1.00 0.00 O ATOM 1054 CB PRO A 73 -9.556 1.250 3.806 1.00 0.00 C ATOM 1055 CG PRO A 73 -8.596 2.073 4.649 1.00 0.00 C ATOM 1056 CD PRO A 73 -7.184 1.776 4.172 1.00 0.00 C ATOM 0 HA PRO A 73 -9.017 -0.275 2.374 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -10.402 1.853 3.476 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -9.963 0.417 4.379 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -8.816 3.136 4.550 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -8.703 1.822 5.704 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -6.662 2.689 3.885 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -6.592 1.304 4.956 1.00 0.00 H new ATOM 1064 N ILE A 74 -9.738 0.900 0.427 1.00 0.00 N ATOM 1065 CA ILE A 74 -10.072 1.528 -0.840 1.00 0.00 C ATOM 1066 C ILE A 74 -11.290 2.435 -0.649 1.00 0.00 C ATOM 1067 O ILE A 74 -12.226 2.080 0.065 1.00 0.00 O ATOM 1068 CB ILE A 74 -10.257 0.470 -1.929 1.00 0.00 C ATOM 1069 CG1 ILE A 74 -9.075 -0.500 -1.958 1.00 0.00 C ATOM 1070 CG2 ILE A 74 -10.497 1.123 -3.292 1.00 0.00 C ATOM 1071 CD1 ILE A 74 -8.002 -0.027 -2.941 1.00 0.00 C ATOM 0 H ILE A 74 -10.099 -0.047 0.542 1.00 0.00 H new ATOM 0 HA ILE A 74 -9.253 2.162 -1.180 1.00 0.00 H new ATOM 0 HB ILE A 74 -11.146 -0.114 -1.691 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -8.646 -0.586 -0.960 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -9.422 -1.493 -2.243 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -10.625 0.349 -4.049 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -11.395 1.739 -3.247 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -9.642 1.747 -3.552 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -7.173 -0.734 -2.942 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -8.428 0.035 -3.942 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -7.640 0.956 -2.639 1.00 0.00 H new ATOM 1083 N PRO A 75 -11.236 3.617 -1.318 1.00 0.00 N ATOM 1084 CA PRO A 75 -12.323 4.578 -1.230 1.00 0.00 C ATOM 1085 C PRO A 75 -13.525 4.123 -2.060 1.00 0.00 C ATOM 1086 O PRO A 75 -13.373 3.732 -3.216 1.00 0.00 O ATOM 1087 CB PRO A 75 -11.729 5.890 -1.714 1.00 0.00 C ATOM 1088 CG PRO A 75 -10.476 5.519 -2.490 1.00 0.00 C ATOM 1089 CD PRO A 75 -10.143 4.071 -2.174 1.00 0.00 C ATOM 0 HA PRO A 75 -12.711 4.682 -0.217 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -12.435 6.429 -2.346 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -11.490 6.543 -0.875 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -10.638 5.649 -3.560 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -9.648 6.171 -2.211 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -10.077 3.473 -3.083 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -9.182 3.987 -1.667 1.00 0.00 H new