USER MOD reduce.3.24.130724 H: found=0, std=0, add=828, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 824 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 47 THR OG1 : rot 180:sc= 0.204 USER MOD Set 1.2: A 93 ASN : amide:sc= -1.18 K(o=-0.98,f=0.49) USER MOD Set 2.1: A 56 CYS SG : rot 54:sc= 0.61 USER MOD Set 2.2: A 80 SER OG : rot 109:sc= 0.334 USER MOD Set 3.1: A 28 HIS : no HE2:sc= -2.97! K(o=-4.5!,f=-6.2) USER MOD Set 3.2: A 30 TYR OH : rot 38:sc= -1.49 USER MOD Single : A 1 GLY N :NH3+ -106:sc= 0.00479 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc=0.000961 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 HIS : no HE2:sc= -1.62 K(o=-1.6,f=-3.2!) USER MOD Single : A 13 ASN : amide:sc= -4.46! C(o=-4.5!,f=-12!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot -55:sc= 0.579 USER MOD Single : A 29 CYS SG : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -4.08! K(o=-4.1!,f=-3) USER MOD Single : A 37 LYS NZ :NH3+ 171:sc= -1.59 (180deg=-1.98) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -3.9! C(o=-3.9!,f=-8!) USER MOD Single : A 46 MET CE :methyl -130:sc= -4.06 (180deg=-8.6!) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 23:sc= 0.172 USER MOD Single : A 60 SER OG : rot 26:sc= 0.345 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= -0.0119 USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 GLN : amide:sc= -0.333 X(o=-0.33,f=-0.32) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 35:sc= 0.859 USER MOD Single : A 85 ASN : amide:sc= -0.297 K(o=-0.3,f=-5.5!) USER MOD Single : A 95 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 SER OG : rot -112:sc= -0.906 USER MOD Single : A 102 LYS NZ :NH3+ -167:sc= -1.01 (180deg=-1.54) USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 26.952 -11.143 -1.285 1.00 0.00 N ATOM 2 CA GLY A 1 26.157 -10.368 -0.350 1.00 0.00 C ATOM 3 C GLY A 1 25.955 -8.937 -0.807 1.00 0.00 C ATOM 4 O GLY A 1 26.869 -8.317 -1.349 1.00 0.00 O ATOM 0 H1 GLY A 1 26.335 -11.801 -1.803 1.00 0.00 H new ATOM 0 H2 GLY A 1 27.418 -10.502 -1.958 1.00 0.00 H new ATOM 0 H3 GLY A 1 27.673 -11.682 -0.764 1.00 0.00 H new ATOM 0 HA2 GLY A 1 25.186 -10.845 -0.221 1.00 0.00 H new ATOM 0 HA3 GLY A 1 26.645 -10.369 0.625 1.00 0.00 H new ATOM 8 N SER A 2 24.754 -8.411 -0.588 1.00 0.00 N ATOM 9 CA SER A 2 24.433 -7.046 -0.986 1.00 0.00 C ATOM 10 C SER A 2 23.556 -6.366 0.061 1.00 0.00 C ATOM 11 O SER A 2 22.562 -6.933 0.516 1.00 0.00 O ATOM 12 CB SER A 2 23.726 -7.040 -2.342 1.00 0.00 C ATOM 13 OG SER A 2 24.601 -7.456 -3.376 1.00 0.00 O ATOM 0 H SER A 2 23.987 -8.910 -0.137 1.00 0.00 H new ATOM 0 HA SER A 2 25.367 -6.490 -1.069 1.00 0.00 H new ATOM 0 HB2 SER A 2 22.860 -7.701 -2.307 1.00 0.00 H new ATOM 0 HB3 SER A 2 23.354 -6.038 -2.557 1.00 0.00 H new ATOM 0 HG SER A 2 24.124 -7.445 -4.232 1.00 0.00 H new ATOM 19 N SER A 3 23.932 -5.148 0.439 1.00 0.00 N ATOM 20 CA SER A 3 23.182 -4.392 1.435 1.00 0.00 C ATOM 21 C SER A 3 21.833 -3.947 0.878 1.00 0.00 C ATOM 22 O SER A 3 21.726 -3.562 -0.286 1.00 0.00 O ATOM 23 CB SER A 3 23.986 -3.173 1.891 1.00 0.00 C ATOM 24 OG SER A 3 24.445 -2.421 0.781 1.00 0.00 O ATOM 0 H SER A 3 24.751 -4.664 0.071 1.00 0.00 H new ATOM 0 HA SER A 3 23.004 -5.043 2.291 1.00 0.00 H new ATOM 0 HB2 SER A 3 23.367 -2.543 2.530 1.00 0.00 H new ATOM 0 HB3 SER A 3 24.836 -3.498 2.491 1.00 0.00 H new ATOM 0 HG SER A 3 24.954 -1.646 1.099 1.00 0.00 H new ATOM 30 N GLY A 4 20.805 -4.004 1.719 1.00 0.00 N ATOM 31 CA GLY A 4 19.476 -3.605 1.293 1.00 0.00 C ATOM 32 C GLY A 4 18.415 -3.931 2.325 1.00 0.00 C ATOM 33 O GLY A 4 17.683 -4.911 2.186 1.00 0.00 O ATOM 0 H GLY A 4 20.868 -4.319 2.687 1.00 0.00 H new ATOM 0 HA2 GLY A 4 19.468 -2.533 1.094 1.00 0.00 H new ATOM 0 HA3 GLY A 4 19.233 -4.105 0.356 1.00 0.00 H new ATOM 37 N SER A 5 18.331 -3.108 3.366 1.00 0.00 N ATOM 38 CA SER A 5 17.355 -3.317 4.429 1.00 0.00 C ATOM 39 C SER A 5 16.191 -2.338 4.298 1.00 0.00 C ATOM 40 O SER A 5 16.391 -1.146 4.065 1.00 0.00 O ATOM 41 CB SER A 5 18.018 -3.157 5.798 1.00 0.00 C ATOM 42 OG SER A 5 17.105 -3.442 6.844 1.00 0.00 O ATOM 0 H SER A 5 18.927 -2.291 3.496 1.00 0.00 H new ATOM 0 HA SER A 5 16.967 -4.331 4.337 1.00 0.00 H new ATOM 0 HB2 SER A 5 18.877 -3.824 5.869 1.00 0.00 H new ATOM 0 HB3 SER A 5 18.394 -2.140 5.907 1.00 0.00 H new ATOM 0 HG SER A 5 17.554 -3.334 7.708 1.00 0.00 H new ATOM 48 N SER A 6 14.975 -2.852 4.449 1.00 0.00 N ATOM 49 CA SER A 6 13.778 -2.026 4.344 1.00 0.00 C ATOM 50 C SER A 6 13.018 -1.999 5.667 1.00 0.00 C ATOM 51 O SER A 6 12.720 -0.933 6.204 1.00 0.00 O ATOM 52 CB SER A 6 12.868 -2.548 3.231 1.00 0.00 C ATOM 53 OG SER A 6 13.561 -2.620 1.997 1.00 0.00 O ATOM 0 H SER A 6 14.793 -3.836 4.644 1.00 0.00 H new ATOM 0 HA SER A 6 14.089 -1.009 4.103 1.00 0.00 H new ATOM 0 HB2 SER A 6 12.491 -3.535 3.498 1.00 0.00 H new ATOM 0 HB3 SER A 6 12.002 -1.894 3.128 1.00 0.00 H new ATOM 0 HG SER A 6 12.958 -2.958 1.302 1.00 0.00 H new ATOM 59 N GLY A 7 12.708 -3.183 6.189 1.00 0.00 N ATOM 60 CA GLY A 7 11.986 -3.274 7.444 1.00 0.00 C ATOM 61 C GLY A 7 11.021 -4.443 7.474 1.00 0.00 C ATOM 62 O GLY A 7 11.395 -5.577 7.773 1.00 0.00 O ATOM 0 H GLY A 7 12.944 -4.080 5.765 1.00 0.00 H new ATOM 0 HA2 GLY A 7 12.698 -3.374 8.263 1.00 0.00 H new ATOM 0 HA3 GLY A 7 11.436 -2.348 7.611 1.00 0.00 H new ATOM 66 N PRO A 8 9.746 -4.170 7.159 1.00 0.00 N ATOM 67 CA PRO A 8 8.698 -5.195 7.146 1.00 0.00 C ATOM 68 C PRO A 8 8.871 -6.186 6.000 1.00 0.00 C ATOM 69 O PRO A 8 9.471 -5.866 4.974 1.00 0.00 O ATOM 70 CB PRO A 8 7.412 -4.385 6.961 1.00 0.00 C ATOM 71 CG PRO A 8 7.847 -3.134 6.279 1.00 0.00 C ATOM 72 CD PRO A 8 9.229 -2.841 6.793 1.00 0.00 C ATOM 0 HA PRO A 8 8.710 -5.802 8.052 1.00 0.00 H new ATOM 0 HB2 PRO A 8 6.684 -4.930 6.361 1.00 0.00 H new ATOM 0 HB3 PRO A 8 6.939 -4.170 7.919 1.00 0.00 H new ATOM 0 HG2 PRO A 8 7.852 -3.261 5.196 1.00 0.00 H new ATOM 0 HG3 PRO A 8 7.166 -2.312 6.500 1.00 0.00 H new ATOM 0 HD2 PRO A 8 9.848 -2.365 6.033 1.00 0.00 H new ATOM 0 HD3 PRO A 8 9.205 -2.169 7.651 1.00 0.00 H new ATOM 80 N LYS A 9 8.342 -7.391 6.181 1.00 0.00 N ATOM 81 CA LYS A 9 8.436 -8.430 5.162 1.00 0.00 C ATOM 82 C LYS A 9 7.393 -8.217 4.070 1.00 0.00 C ATOM 83 O LYS A 9 7.701 -8.300 2.881 1.00 0.00 O ATOM 84 CB LYS A 9 8.253 -9.812 5.795 1.00 0.00 C ATOM 85 CG LYS A 9 9.024 -9.994 7.091 1.00 0.00 C ATOM 86 CD LYS A 9 10.524 -10.002 6.851 1.00 0.00 C ATOM 87 CE LYS A 9 11.022 -11.390 6.480 1.00 0.00 C ATOM 88 NZ LYS A 9 12.510 -11.454 6.444 1.00 0.00 N ATOM 0 H LYS A 9 7.843 -7.673 7.025 1.00 0.00 H new ATOM 0 HA LYS A 9 9.426 -8.372 4.710 1.00 0.00 H new ATOM 0 HB2 LYS A 9 7.193 -9.977 5.986 1.00 0.00 H new ATOM 0 HB3 LYS A 9 8.571 -10.574 5.083 1.00 0.00 H new ATOM 0 HG2 LYS A 9 8.770 -9.191 7.783 1.00 0.00 H new ATOM 0 HG3 LYS A 9 8.725 -10.929 7.565 1.00 0.00 H new ATOM 0 HD2 LYS A 9 10.770 -9.301 6.053 1.00 0.00 H new ATOM 0 HD3 LYS A 9 11.039 -9.657 7.748 1.00 0.00 H new ATOM 0 HE2 LYS A 9 10.645 -12.116 7.200 1.00 0.00 H new ATOM 0 HE3 LYS A 9 10.623 -11.671 5.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 12.810 -12.416 6.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 12.870 -10.780 5.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 12.891 -11.211 7.381 1.00 0.00 H new ATOM 102 N ILE A 10 6.160 -7.942 4.481 1.00 0.00 N ATOM 103 CA ILE A 10 5.073 -7.715 3.537 1.00 0.00 C ATOM 104 C ILE A 10 5.294 -6.432 2.743 1.00 0.00 C ATOM 105 O ILE A 10 6.159 -5.622 3.079 1.00 0.00 O ATOM 106 CB ILE A 10 3.713 -7.633 4.254 1.00 0.00 C ATOM 107 CG1 ILE A 10 3.876 -6.993 5.635 1.00 0.00 C ATOM 108 CG2 ILE A 10 3.094 -9.017 4.376 1.00 0.00 C ATOM 109 CD1 ILE A 10 4.110 -7.997 6.742 1.00 0.00 C ATOM 0 H ILE A 10 5.889 -7.871 5.462 1.00 0.00 H new ATOM 0 HA ILE A 10 5.064 -8.565 2.855 1.00 0.00 H new ATOM 0 HB ILE A 10 3.045 -7.008 3.662 1.00 0.00 H new ATOM 0 HG12 ILE A 10 4.712 -6.294 5.606 1.00 0.00 H new ATOM 0 HG13 ILE A 10 2.983 -6.412 5.865 1.00 0.00 H new ATOM 0 HG21 ILE A 10 2.133 -8.942 4.885 1.00 0.00 H new ATOM 0 HG22 ILE A 10 2.946 -9.438 3.382 1.00 0.00 H new ATOM 0 HG23 ILE A 10 3.759 -9.664 4.949 1.00 0.00 H new ATOM 0 HD11 ILE A 10 4.216 -7.473 7.692 1.00 0.00 H new ATOM 0 HD12 ILE A 10 3.263 -8.681 6.798 1.00 0.00 H new ATOM 0 HD13 ILE A 10 5.019 -8.561 6.535 1.00 0.00 H new ATOM 121 N HIS A 11 4.506 -6.253 1.688 1.00 0.00 N ATOM 122 CA HIS A 11 4.614 -5.066 0.846 1.00 0.00 C ATOM 123 C HIS A 11 3.504 -5.041 -0.202 1.00 0.00 C ATOM 124 O HIS A 11 3.220 -6.052 -0.845 1.00 0.00 O ATOM 125 CB HIS A 11 5.979 -5.024 0.160 1.00 0.00 C ATOM 126 CG HIS A 11 6.102 -5.977 -0.989 1.00 0.00 C ATOM 127 ND1 HIS A 11 5.558 -5.731 -2.232 1.00 0.00 N ATOM 128 CD2 HIS A 11 6.713 -7.182 -1.079 1.00 0.00 C ATOM 129 CE1 HIS A 11 5.828 -6.744 -3.036 1.00 0.00 C ATOM 130 NE2 HIS A 11 6.528 -7.638 -2.361 1.00 0.00 N ATOM 0 H HIS A 11 3.786 -6.914 1.395 1.00 0.00 H new ATOM 0 HA HIS A 11 4.509 -4.188 1.483 1.00 0.00 H new ATOM 0 HB2 HIS A 11 6.166 -4.011 -0.197 1.00 0.00 H new ATOM 0 HB3 HIS A 11 6.752 -5.251 0.894 1.00 0.00 H new ATOM 0 HD1 HIS A 11 5.030 -4.897 -2.490 1.00 0.00 H new ATOM 0 HD2 HIS A 11 7.247 -7.690 -0.289 1.00 0.00 H new ATOM 0 HE1 HIS A 11 5.527 -6.827 -4.070 1.00 0.00 H new ATOM 138 N PHE A 12 2.880 -3.880 -0.367 1.00 0.00 N ATOM 139 CA PHE A 12 1.801 -3.723 -1.335 1.00 0.00 C ATOM 140 C PHE A 12 2.330 -3.831 -2.762 1.00 0.00 C ATOM 141 O PHE A 12 3.394 -3.304 -3.082 1.00 0.00 O ATOM 142 CB PHE A 12 1.102 -2.376 -1.139 1.00 0.00 C ATOM 143 CG PHE A 12 0.118 -2.371 -0.004 1.00 0.00 C ATOM 144 CD1 PHE A 12 -1.081 -3.057 -0.107 1.00 0.00 C ATOM 145 CD2 PHE A 12 0.392 -1.679 1.165 1.00 0.00 C ATOM 146 CE1 PHE A 12 -1.989 -3.055 0.936 1.00 0.00 C ATOM 147 CE2 PHE A 12 -0.512 -1.673 2.211 1.00 0.00 C ATOM 148 CZ PHE A 12 -1.704 -2.361 2.095 1.00 0.00 C ATOM 0 H PHE A 12 3.103 -3.034 0.157 1.00 0.00 H new ATOM 0 HA PHE A 12 1.081 -4.525 -1.171 1.00 0.00 H new ATOM 0 HB2 PHE A 12 1.854 -1.608 -0.960 1.00 0.00 H new ATOM 0 HB3 PHE A 12 0.584 -2.107 -2.060 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -1.309 -3.600 -1.012 1.00 0.00 H new ATOM 0 HD2 PHE A 12 1.322 -1.138 1.260 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -2.920 -3.595 0.844 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -0.286 -1.131 3.118 1.00 0.00 H new ATOM 0 HZ PHE A 12 -2.412 -2.356 2.910 1.00 0.00 H new ATOM 158 N ASN A 13 1.578 -4.519 -3.615 1.00 0.00 N ATOM 159 CA ASN A 13 1.971 -4.698 -5.008 1.00 0.00 C ATOM 160 C ASN A 13 2.587 -3.419 -5.568 1.00 0.00 C ATOM 161 O ASN A 13 3.394 -3.461 -6.497 1.00 0.00 O ATOM 162 CB ASN A 13 0.762 -5.107 -5.852 1.00 0.00 C ATOM 163 CG ASN A 13 -0.478 -4.303 -5.514 1.00 0.00 C ATOM 164 OD1 ASN A 13 -0.403 -3.286 -4.824 1.00 0.00 O ATOM 165 ND2 ASN A 13 -1.628 -4.757 -6.000 1.00 0.00 N ATOM 0 H ASN A 13 0.693 -4.962 -3.366 1.00 0.00 H new ATOM 0 HA ASN A 13 2.719 -5.489 -5.050 1.00 0.00 H new ATOM 0 HB2 ASN A 13 0.999 -4.977 -6.908 1.00 0.00 H new ATOM 0 HB3 ASN A 13 0.557 -6.167 -5.699 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -2.496 -4.258 -5.806 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -1.643 -5.604 -6.567 1.00 0.00 H new ATOM 172 N PHE A 14 2.201 -2.284 -4.996 1.00 0.00 N ATOM 173 CA PHE A 14 2.715 -0.992 -5.438 1.00 0.00 C ATOM 174 C PHE A 14 3.109 -0.127 -4.244 1.00 0.00 C ATOM 175 O PHE A 14 2.835 -0.473 -3.096 1.00 0.00 O ATOM 176 CB PHE A 14 1.668 -0.266 -6.285 1.00 0.00 C ATOM 177 CG PHE A 14 0.265 -0.429 -5.774 1.00 0.00 C ATOM 178 CD1 PHE A 14 -0.132 0.180 -4.595 1.00 0.00 C ATOM 179 CD2 PHE A 14 -0.657 -1.191 -6.473 1.00 0.00 C ATOM 180 CE1 PHE A 14 -1.422 0.031 -4.122 1.00 0.00 C ATOM 181 CE2 PHE A 14 -1.948 -1.344 -6.006 1.00 0.00 C ATOM 182 CZ PHE A 14 -2.332 -0.731 -4.829 1.00 0.00 C ATOM 0 H PHE A 14 1.534 -2.232 -4.226 1.00 0.00 H new ATOM 0 HA PHE A 14 3.603 -1.170 -6.045 1.00 0.00 H new ATOM 0 HB2 PHE A 14 1.913 0.796 -6.319 1.00 0.00 H new ATOM 0 HB3 PHE A 14 1.719 -0.638 -7.308 1.00 0.00 H new ATOM 0 HD1 PHE A 14 0.575 0.778 -4.039 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -0.363 -1.671 -7.394 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -1.718 0.510 -3.200 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -2.656 -1.942 -6.560 1.00 0.00 H new ATOM 0 HZ PHE A 14 -3.341 -0.847 -4.462 1.00 0.00 H new ATOM 192 N GLU A 15 3.756 1.000 -4.526 1.00 0.00 N ATOM 193 CA GLU A 15 4.189 1.914 -3.476 1.00 0.00 C ATOM 194 C GLU A 15 3.042 2.817 -3.032 1.00 0.00 C ATOM 195 O GLU A 15 2.632 2.794 -1.871 1.00 0.00 O ATOM 196 CB GLU A 15 5.363 2.766 -3.963 1.00 0.00 C ATOM 197 CG GLU A 15 6.270 3.250 -2.844 1.00 0.00 C ATOM 198 CD GLU A 15 7.341 4.206 -3.333 1.00 0.00 C ATOM 199 OE1 GLU A 15 7.144 4.823 -4.400 1.00 0.00 O ATOM 200 OE2 GLU A 15 8.377 4.336 -2.647 1.00 0.00 O ATOM 0 H GLU A 15 3.991 1.301 -5.472 1.00 0.00 H new ATOM 0 HA GLU A 15 4.511 1.318 -2.622 1.00 0.00 H new ATOM 0 HB2 GLU A 15 5.953 2.185 -4.672 1.00 0.00 H new ATOM 0 HB3 GLU A 15 4.975 3.629 -4.504 1.00 0.00 H new ATOM 0 HG2 GLU A 15 5.668 3.744 -2.081 1.00 0.00 H new ATOM 0 HG3 GLU A 15 6.744 2.391 -2.369 1.00 0.00 H new ATOM 207 N LEU A 16 2.528 3.612 -3.964 1.00 0.00 N ATOM 208 CA LEU A 16 1.428 4.524 -3.671 1.00 0.00 C ATOM 209 C LEU A 16 0.219 4.220 -4.551 1.00 0.00 C ATOM 210 O LEU A 16 0.360 3.716 -5.666 1.00 0.00 O ATOM 211 CB LEU A 16 1.871 5.973 -3.877 1.00 0.00 C ATOM 212 CG LEU A 16 0.752 7.011 -3.966 1.00 0.00 C ATOM 213 CD1 LEU A 16 1.231 8.358 -3.446 1.00 0.00 C ATOM 214 CD2 LEU A 16 0.254 7.137 -5.398 1.00 0.00 C ATOM 0 H LEU A 16 2.856 3.643 -4.929 1.00 0.00 H new ATOM 0 HA LEU A 16 1.141 4.383 -2.629 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.532 6.250 -3.056 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.461 6.025 -4.792 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.077 6.677 -3.342 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.421 9.084 -3.517 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.538 8.258 -2.405 1.00 0.00 H new ATOM 0 HD13 LEU A 16 2.077 8.698 -4.043 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.542 7.880 -5.442 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.076 7.447 -6.043 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -0.129 6.174 -5.736 1.00 0.00 H new ATOM 226 N LEU A 17 -0.968 4.531 -4.043 1.00 0.00 N ATOM 227 CA LEU A 17 -2.203 4.293 -4.783 1.00 0.00 C ATOM 228 C LEU A 17 -2.854 5.610 -5.193 1.00 0.00 C ATOM 229 O LEU A 17 -3.406 6.328 -4.359 1.00 0.00 O ATOM 230 CB LEU A 17 -3.177 3.471 -3.938 1.00 0.00 C ATOM 231 CG LEU A 17 -4.603 3.355 -4.480 1.00 0.00 C ATOM 232 CD1 LEU A 17 -4.638 2.446 -5.699 1.00 0.00 C ATOM 233 CD2 LEU A 17 -5.543 2.840 -3.400 1.00 0.00 C ATOM 0 H LEU A 17 -1.102 4.948 -3.122 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.955 3.735 -5.686 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.770 2.466 -3.825 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.223 3.911 -2.942 1.00 0.00 H new ATOM 0 HG LEU A 17 -4.939 4.347 -4.783 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -5.660 2.375 -6.071 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -3.996 2.857 -6.478 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -4.283 1.453 -5.423 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -6.553 2.764 -3.803 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -5.210 1.857 -3.066 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -5.540 3.530 -2.556 1.00 0.00 H new ATOM 245 N ASP A 18 -2.788 5.921 -6.483 1.00 0.00 N ATOM 246 CA ASP A 18 -3.374 7.150 -7.005 1.00 0.00 C ATOM 247 C ASP A 18 -4.790 6.903 -7.515 1.00 0.00 C ATOM 248 O ASP A 18 -4.985 6.282 -8.560 1.00 0.00 O ATOM 249 CB ASP A 18 -2.505 7.717 -8.129 1.00 0.00 C ATOM 250 CG ASP A 18 -3.300 8.566 -9.102 1.00 0.00 C ATOM 251 OD1 ASP A 18 -3.644 9.712 -8.745 1.00 0.00 O ATOM 252 OD2 ASP A 18 -3.578 8.084 -10.220 1.00 0.00 O ATOM 0 H ASP A 18 -2.334 5.339 -7.187 1.00 0.00 H new ATOM 0 HA ASP A 18 -3.421 7.875 -6.192 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -1.704 8.317 -7.698 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -2.033 6.896 -8.669 1.00 0.00 H new ATOM 257 N ILE A 19 -5.775 7.392 -6.769 1.00 0.00 N ATOM 258 CA ILE A 19 -7.173 7.224 -7.146 1.00 0.00 C ATOM 259 C ILE A 19 -7.629 8.340 -8.079 1.00 0.00 C ATOM 260 O ILE A 19 -8.822 8.501 -8.336 1.00 0.00 O ATOM 261 CB ILE A 19 -8.090 7.197 -5.909 1.00 0.00 C ATOM 262 CG1 ILE A 19 -7.763 8.367 -4.979 1.00 0.00 C ATOM 263 CG2 ILE A 19 -7.949 5.873 -5.173 1.00 0.00 C ATOM 264 CD1 ILE A 19 -8.794 8.583 -3.893 1.00 0.00 C ATOM 0 H ILE A 19 -5.631 7.907 -5.901 1.00 0.00 H new ATOM 0 HA ILE A 19 -7.247 6.268 -7.664 1.00 0.00 H new ATOM 0 HB ILE A 19 -9.124 7.298 -6.240 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -6.791 8.192 -4.517 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -7.675 9.278 -5.571 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -8.603 5.870 -4.301 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -8.227 5.055 -5.838 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -6.916 5.744 -4.851 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -8.497 9.428 -3.272 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -9.763 8.789 -4.347 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -8.866 7.687 -3.276 1.00 0.00 H new ATOM 276 N GLY A 20 -6.670 9.110 -8.585 1.00 0.00 N ATOM 277 CA GLY A 20 -6.993 10.201 -9.486 1.00 0.00 C ATOM 278 C GLY A 20 -8.181 11.013 -9.011 1.00 0.00 C ATOM 279 O GLY A 20 -8.338 11.257 -7.814 1.00 0.00 O ATOM 0 H GLY A 20 -5.676 8.998 -8.387 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -6.126 10.855 -9.585 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -7.204 9.799 -10.477 1.00 0.00 H new ATOM 283 N LYS A 21 -9.021 11.435 -9.950 1.00 0.00 N ATOM 284 CA LYS A 21 -10.202 12.225 -9.623 1.00 0.00 C ATOM 285 C LYS A 21 -11.312 11.339 -9.067 1.00 0.00 C ATOM 286 O LYS A 21 -11.615 10.283 -9.623 1.00 0.00 O ATOM 287 CB LYS A 21 -10.702 12.971 -10.862 1.00 0.00 C ATOM 288 CG LYS A 21 -10.087 14.349 -11.032 1.00 0.00 C ATOM 289 CD LYS A 21 -11.015 15.285 -11.789 1.00 0.00 C ATOM 290 CE LYS A 21 -10.353 16.627 -12.060 1.00 0.00 C ATOM 291 NZ LYS A 21 -9.455 16.573 -13.247 1.00 0.00 N ATOM 0 H LYS A 21 -8.905 11.243 -10.945 1.00 0.00 H new ATOM 0 HA LYS A 21 -9.923 12.950 -8.859 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -10.485 12.374 -11.748 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -11.786 13.071 -10.803 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -9.863 14.771 -10.053 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -9.141 14.263 -11.566 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -11.307 14.825 -12.733 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -11.928 15.438 -11.213 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -11.120 17.385 -12.219 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -9.780 16.933 -11.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -9.023 17.507 -13.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -8.708 15.868 -13.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -10.006 16.306 -14.088 1.00 0.00 H new ATOM 305 N VAL A 22 -11.918 11.777 -7.967 1.00 0.00 N ATOM 306 CA VAL A 22 -12.997 11.025 -7.338 1.00 0.00 C ATOM 307 C VAL A 22 -14.195 11.922 -7.047 1.00 0.00 C ATOM 308 O VAL A 22 -14.112 12.841 -6.232 1.00 0.00 O ATOM 309 CB VAL A 22 -12.531 10.366 -6.026 1.00 0.00 C ATOM 310 CG1 VAL A 22 -11.724 9.109 -6.316 1.00 0.00 C ATOM 311 CG2 VAL A 22 -11.721 11.349 -5.195 1.00 0.00 C ATOM 0 H VAL A 22 -11.680 12.649 -7.494 1.00 0.00 H new ATOM 0 HA VAL A 22 -13.293 10.247 -8.041 1.00 0.00 H new ATOM 0 HB VAL A 22 -13.412 10.079 -5.452 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -11.404 8.658 -5.377 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -12.341 8.400 -6.868 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -10.848 9.368 -6.911 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -11.400 10.867 -4.272 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -10.846 11.669 -5.761 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -12.336 12.217 -4.956 1.00 0.00 H new ATOM 321 N PHE A 23 -15.309 11.648 -7.718 1.00 0.00 N ATOM 322 CA PHE A 23 -16.525 12.431 -7.531 1.00 0.00 C ATOM 323 C PHE A 23 -16.870 12.554 -6.050 1.00 0.00 C ATOM 324 O PHE A 23 -16.533 11.684 -5.246 1.00 0.00 O ATOM 325 CB PHE A 23 -17.691 11.789 -8.286 1.00 0.00 C ATOM 326 CG PHE A 23 -18.848 12.721 -8.507 1.00 0.00 C ATOM 327 CD1 PHE A 23 -18.661 13.943 -9.133 1.00 0.00 C ATOM 328 CD2 PHE A 23 -20.123 12.375 -8.088 1.00 0.00 C ATOM 329 CE1 PHE A 23 -19.724 14.802 -9.336 1.00 0.00 C ATOM 330 CE2 PHE A 23 -21.189 13.230 -8.289 1.00 0.00 C ATOM 331 CZ PHE A 23 -20.990 14.445 -8.915 1.00 0.00 C ATOM 0 H PHE A 23 -15.395 10.890 -8.396 1.00 0.00 H new ATOM 0 HA PHE A 23 -16.349 13.430 -7.929 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -17.335 11.430 -9.251 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -18.038 10.918 -7.730 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -17.674 14.227 -9.466 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -20.285 11.426 -7.599 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -19.565 15.752 -9.824 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -22.177 12.949 -7.957 1.00 0.00 H new ATOM 0 HZ PHE A 23 -21.822 15.114 -9.075 1.00 0.00 H new ATOM 341 N THR A 24 -17.546 13.643 -5.694 1.00 0.00 N ATOM 342 CA THR A 24 -17.936 13.882 -4.311 1.00 0.00 C ATOM 343 C THR A 24 -19.127 13.016 -3.918 1.00 0.00 C ATOM 344 O THR A 24 -19.892 12.570 -4.772 1.00 0.00 O ATOM 345 CB THR A 24 -18.292 15.363 -4.076 1.00 0.00 C ATOM 346 OG1 THR A 24 -18.401 15.623 -2.672 1.00 0.00 O ATOM 347 CG2 THR A 24 -19.600 15.721 -4.766 1.00 0.00 C ATOM 0 H THR A 24 -17.834 14.373 -6.346 1.00 0.00 H new ATOM 0 HA THR A 24 -17.079 13.619 -3.691 1.00 0.00 H new ATOM 0 HB THR A 24 -17.497 15.977 -4.499 1.00 0.00 H new ATOM 0 HG1 THR A 24 -18.626 16.566 -2.530 1.00 0.00 H new ATOM 0 HG21 THR A 24 -19.831 16.771 -4.586 1.00 0.00 H new ATOM 0 HG22 THR A 24 -19.505 15.549 -5.838 1.00 0.00 H new ATOM 0 HG23 THR A 24 -20.403 15.100 -4.369 1.00 0.00 H new ATOM 355 N GLY A 25 -19.280 12.782 -2.617 1.00 0.00 N ATOM 356 CA GLY A 25 -20.381 11.970 -2.134 1.00 0.00 C ATOM 357 C GLY A 25 -20.572 10.707 -2.950 1.00 0.00 C ATOM 358 O GLY A 25 -21.698 10.343 -3.289 1.00 0.00 O ATOM 0 H GLY A 25 -18.661 13.141 -1.890 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -20.201 11.702 -1.093 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -21.299 12.557 -2.158 1.00 0.00 H new ATOM 362 N SER A 26 -19.469 10.037 -3.267 1.00 0.00 N ATOM 363 CA SER A 26 -19.519 8.810 -4.053 1.00 0.00 C ATOM 364 C SER A 26 -18.491 7.800 -3.550 1.00 0.00 C ATOM 365 O SER A 26 -17.359 8.159 -3.228 1.00 0.00 O ATOM 366 CB SER A 26 -19.269 9.116 -5.531 1.00 0.00 C ATOM 367 OG SER A 26 -17.970 9.645 -5.730 1.00 0.00 O ATOM 0 H SER A 26 -18.530 10.323 -2.992 1.00 0.00 H new ATOM 0 HA SER A 26 -20.513 8.377 -3.942 1.00 0.00 H new ATOM 0 HB2 SER A 26 -19.388 8.206 -6.119 1.00 0.00 H new ATOM 0 HB3 SER A 26 -20.013 9.827 -5.889 1.00 0.00 H new ATOM 0 HG SER A 26 -17.844 10.428 -5.154 1.00 0.00 H new ATOM 373 N ALA A 27 -18.896 6.536 -3.486 1.00 0.00 N ATOM 374 CA ALA A 27 -18.011 5.473 -3.025 1.00 0.00 C ATOM 375 C ALA A 27 -17.296 4.808 -4.196 1.00 0.00 C ATOM 376 O ALA A 27 -17.933 4.274 -5.104 1.00 0.00 O ATOM 377 CB ALA A 27 -18.796 4.441 -2.229 1.00 0.00 C ATOM 0 H ALA A 27 -19.831 6.223 -3.747 1.00 0.00 H new ATOM 0 HA ALA A 27 -17.256 5.918 -2.377 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -18.123 3.653 -1.891 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -19.256 4.921 -1.365 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -19.573 4.009 -2.860 1.00 0.00 H new ATOM 383 N HIS A 28 -15.967 4.844 -4.169 1.00 0.00 N ATOM 384 CA HIS A 28 -15.165 4.244 -5.229 1.00 0.00 C ATOM 385 C HIS A 28 -14.736 2.830 -4.852 1.00 0.00 C ATOM 386 O HIS A 28 -14.865 2.419 -3.698 1.00 0.00 O ATOM 387 CB HIS A 28 -13.933 5.104 -5.514 1.00 0.00 C ATOM 388 CG HIS A 28 -14.233 6.335 -6.313 1.00 0.00 C ATOM 389 ND1 HIS A 28 -13.786 6.522 -7.604 1.00 0.00 N ATOM 390 CD2 HIS A 28 -14.941 7.444 -5.997 1.00 0.00 C ATOM 391 CE1 HIS A 28 -14.205 7.693 -8.047 1.00 0.00 C ATOM 392 NE2 HIS A 28 -14.909 8.273 -7.092 1.00 0.00 N ATOM 0 H HIS A 28 -15.424 5.282 -3.425 1.00 0.00 H new ATOM 0 HA HIS A 28 -15.778 4.191 -6.129 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -13.478 5.397 -4.568 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -13.197 4.504 -6.049 1.00 0.00 H new ATOM 0 HD1 HIS A 28 -13.220 5.859 -8.134 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -15.439 7.641 -5.059 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -14.006 8.106 -9.025 1.00 0.00 H new ATOM 400 N CYS A 29 -14.228 2.090 -5.831 1.00 0.00 N ATOM 401 CA CYS A 29 -13.782 0.720 -5.602 1.00 0.00 C ATOM 402 C CYS A 29 -12.273 0.601 -5.788 1.00 0.00 C ATOM 403 O CYS A 29 -11.758 0.778 -6.892 1.00 0.00 O ATOM 404 CB CYS A 29 -14.502 -0.238 -6.551 1.00 0.00 C ATOM 405 SG CYS A 29 -16.274 -0.404 -6.229 1.00 0.00 S ATOM 0 H CYS A 29 -14.115 2.415 -6.791 1.00 0.00 H new ATOM 0 HA CYS A 29 -14.025 0.452 -4.574 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -14.361 0.108 -7.575 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -14.037 -1.221 -6.479 1.00 0.00 H new ATOM 0 HG CYS A 29 -16.795 -1.233 -7.084 1.00 0.00 H new ATOM 411 N TYR A 30 -11.570 0.302 -4.702 1.00 0.00 N ATOM 412 CA TYR A 30 -10.119 0.164 -4.744 1.00 0.00 C ATOM 413 C TYR A 30 -9.672 -1.112 -4.038 1.00 0.00 C ATOM 414 O TYR A 30 -10.244 -1.504 -3.021 1.00 0.00 O ATOM 415 CB TYR A 30 -9.451 1.379 -4.098 1.00 0.00 C ATOM 416 CG TYR A 30 -9.955 2.701 -4.628 1.00 0.00 C ATOM 417 CD1 TYR A 30 -9.950 2.973 -5.991 1.00 0.00 C ATOM 418 CD2 TYR A 30 -10.437 3.679 -3.767 1.00 0.00 C ATOM 419 CE1 TYR A 30 -10.409 4.181 -6.480 1.00 0.00 C ATOM 420 CE2 TYR A 30 -10.900 4.889 -4.248 1.00 0.00 C ATOM 421 CZ TYR A 30 -10.883 5.136 -5.605 1.00 0.00 C ATOM 422 OH TYR A 30 -11.342 6.339 -6.088 1.00 0.00 O ATOM 0 H TYR A 30 -11.981 0.150 -3.781 1.00 0.00 H new ATOM 0 HA TYR A 30 -9.816 0.104 -5.789 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -9.615 1.343 -3.021 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -8.375 1.319 -4.259 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -9.581 2.227 -6.680 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -10.450 3.490 -2.704 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -10.397 4.376 -7.542 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -11.273 5.638 -3.565 1.00 0.00 H new ATOM 0 HH TYR A 30 -11.825 6.192 -6.928 1.00 0.00 H new ATOM 432 N GLU A 31 -8.646 -1.756 -4.586 1.00 0.00 N ATOM 433 CA GLU A 31 -8.122 -2.988 -4.009 1.00 0.00 C ATOM 434 C GLU A 31 -6.597 -2.965 -3.969 1.00 0.00 C ATOM 435 O GLU A 31 -5.943 -2.692 -4.975 1.00 0.00 O ATOM 436 CB GLU A 31 -8.604 -4.199 -4.812 1.00 0.00 C ATOM 437 CG GLU A 31 -8.186 -5.531 -4.214 1.00 0.00 C ATOM 438 CD GLU A 31 -8.157 -6.648 -5.240 1.00 0.00 C ATOM 439 OE1 GLU A 31 -7.241 -6.650 -6.088 1.00 0.00 O ATOM 440 OE2 GLU A 31 -9.051 -7.518 -5.195 1.00 0.00 O ATOM 0 H GLU A 31 -8.162 -1.445 -5.428 1.00 0.00 H new ATOM 0 HA GLU A 31 -8.494 -3.067 -2.987 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -9.691 -4.168 -4.883 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -8.216 -4.129 -5.828 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -7.198 -5.429 -3.765 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -8.875 -5.797 -3.412 1.00 0.00 H new ATOM 447 N ALA A 32 -6.037 -3.253 -2.799 1.00 0.00 N ATOM 448 CA ALA A 32 -4.590 -3.267 -2.627 1.00 0.00 C ATOM 449 C ALA A 32 -4.102 -4.645 -2.190 1.00 0.00 C ATOM 450 O ALA A 32 -4.507 -5.154 -1.145 1.00 0.00 O ATOM 451 CB ALA A 32 -4.168 -2.211 -1.616 1.00 0.00 C ATOM 0 H ALA A 32 -6.564 -3.480 -1.956 1.00 0.00 H new ATOM 0 HA ALA A 32 -4.133 -3.036 -3.589 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -3.085 -2.233 -1.498 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.475 -1.226 -1.969 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -4.642 -2.416 -0.656 1.00 0.00 H new ATOM 457 N ILE A 33 -3.232 -5.242 -2.997 1.00 0.00 N ATOM 458 CA ILE A 33 -2.689 -6.560 -2.693 1.00 0.00 C ATOM 459 C ILE A 33 -1.397 -6.451 -1.890 1.00 0.00 C ATOM 460 O ILE A 33 -0.509 -5.667 -2.227 1.00 0.00 O ATOM 461 CB ILE A 33 -2.416 -7.366 -3.977 1.00 0.00 C ATOM 462 CG1 ILE A 33 -3.598 -7.247 -4.941 1.00 0.00 C ATOM 463 CG2 ILE A 33 -2.145 -8.825 -3.639 1.00 0.00 C ATOM 464 CD1 ILE A 33 -4.737 -8.190 -4.619 1.00 0.00 C ATOM 0 H ILE A 33 -2.888 -4.834 -3.866 1.00 0.00 H new ATOM 0 HA ILE A 33 -3.440 -7.081 -2.099 1.00 0.00 H new ATOM 0 HB ILE A 33 -1.532 -6.956 -4.465 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -3.969 -6.222 -4.923 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -3.250 -7.443 -5.955 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.954 -9.382 -4.556 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -1.275 -8.892 -2.986 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -3.012 -9.248 -3.132 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -5.540 -8.051 -5.343 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -4.381 -9.219 -4.665 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -5.111 -7.980 -3.617 1.00 0.00 H new ATOM 476 N LEU A 34 -1.298 -7.243 -0.829 1.00 0.00 N ATOM 477 CA LEU A 34 -0.114 -7.238 0.022 1.00 0.00 C ATOM 478 C LEU A 34 0.645 -8.556 -0.092 1.00 0.00 C ATOM 479 O LEU A 34 0.161 -9.602 0.342 1.00 0.00 O ATOM 480 CB LEU A 34 -0.509 -6.988 1.479 1.00 0.00 C ATOM 481 CG LEU A 34 0.597 -6.461 2.394 1.00 0.00 C ATOM 482 CD1 LEU A 34 0.988 -5.045 1.997 1.00 0.00 C ATOM 483 CD2 LEU A 34 0.153 -6.506 3.848 1.00 0.00 C ATOM 0 H LEU A 34 -2.024 -7.897 -0.537 1.00 0.00 H new ATOM 0 HA LEU A 34 0.540 -6.433 -0.314 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.335 -6.276 1.494 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -0.885 -7.921 1.898 1.00 0.00 H new ATOM 0 HG LEU A 34 1.471 -7.102 2.283 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.776 -4.686 2.659 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.349 -5.042 0.968 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.120 -4.391 2.079 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.953 -6.127 4.485 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.736 -5.889 3.976 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.076 -7.535 4.127 1.00 0.00 H new ATOM 495 N TYR A 35 1.837 -8.498 -0.676 1.00 0.00 N ATOM 496 CA TYR A 35 2.663 -9.688 -0.847 1.00 0.00 C ATOM 497 C TYR A 35 3.478 -9.970 0.411 1.00 0.00 C ATOM 498 O TYR A 35 4.226 -9.115 0.885 1.00 0.00 O ATOM 499 CB TYR A 35 3.596 -9.517 -2.046 1.00 0.00 C ATOM 500 CG TYR A 35 2.893 -9.619 -3.381 1.00 0.00 C ATOM 501 CD1 TYR A 35 1.811 -8.800 -3.681 1.00 0.00 C ATOM 502 CD2 TYR A 35 3.309 -10.533 -4.340 1.00 0.00 C ATOM 503 CE1 TYR A 35 1.164 -8.890 -4.899 1.00 0.00 C ATOM 504 CE2 TYR A 35 2.670 -10.628 -5.561 1.00 0.00 C ATOM 505 CZ TYR A 35 1.598 -9.805 -5.836 1.00 0.00 C ATOM 506 OH TYR A 35 0.957 -9.897 -7.050 1.00 0.00 O ATOM 0 H TYR A 35 2.253 -7.640 -1.039 1.00 0.00 H new ATOM 0 HA TYR A 35 2.003 -10.536 -1.027 1.00 0.00 H new ATOM 0 HB2 TYR A 35 4.088 -8.547 -1.977 1.00 0.00 H new ATOM 0 HB3 TYR A 35 4.378 -10.275 -1.998 1.00 0.00 H new ATOM 0 HD1 TYR A 35 1.470 -8.081 -2.950 1.00 0.00 H new ATOM 0 HD2 TYR A 35 4.147 -11.181 -4.128 1.00 0.00 H new ATOM 0 HE1 TYR A 35 0.323 -8.248 -5.116 1.00 0.00 H new ATOM 0 HE2 TYR A 35 3.008 -11.343 -6.296 1.00 0.00 H new ATOM 0 HH TYR A 35 1.387 -10.589 -7.595 1.00 0.00 H new ATOM 516 N ASN A 36 3.329 -11.177 0.947 1.00 0.00 N ATOM 517 CA ASN A 36 4.051 -11.575 2.150 1.00 0.00 C ATOM 518 C ASN A 36 5.409 -12.173 1.796 1.00 0.00 C ATOM 519 O ASN A 36 5.491 -13.229 1.170 1.00 0.00 O ATOM 520 CB ASN A 36 3.229 -12.585 2.953 1.00 0.00 C ATOM 521 CG ASN A 36 3.919 -13.000 4.238 1.00 0.00 C ATOM 522 OD1 ASN A 36 4.575 -12.190 4.893 1.00 0.00 O ATOM 523 ND2 ASN A 36 3.774 -14.268 4.604 1.00 0.00 N ATOM 0 H ASN A 36 2.714 -11.897 0.567 1.00 0.00 H new ATOM 0 HA ASN A 36 4.213 -10.685 2.758 1.00 0.00 H new ATOM 0 HB2 ASN A 36 2.257 -12.152 3.189 1.00 0.00 H new ATOM 0 HB3 ASN A 36 3.045 -13.468 2.341 1.00 0.00 H new ATOM 0 HD21 ASN A 36 4.216 -14.606 5.459 1.00 0.00 H new ATOM 0 HD22 ASN A 36 3.221 -14.904 4.030 1.00 0.00 H new ATOM 530 N LYS A 37 6.474 -11.490 2.203 1.00 0.00 N ATOM 531 CA LYS A 37 7.830 -11.953 1.932 1.00 0.00 C ATOM 532 C LYS A 37 8.494 -12.466 3.205 1.00 0.00 C ATOM 533 O LYS A 37 9.660 -12.175 3.470 1.00 0.00 O ATOM 534 CB LYS A 37 8.666 -10.823 1.328 1.00 0.00 C ATOM 535 CG LYS A 37 7.943 -10.045 0.242 1.00 0.00 C ATOM 536 CD LYS A 37 7.576 -10.937 -0.933 1.00 0.00 C ATOM 537 CE LYS A 37 8.688 -10.980 -1.969 1.00 0.00 C ATOM 538 NZ LYS A 37 10.001 -11.330 -1.359 1.00 0.00 N ATOM 0 H LYS A 37 6.424 -10.613 2.722 1.00 0.00 H new ATOM 0 HA LYS A 37 7.771 -12.774 1.218 1.00 0.00 H new ATOM 0 HB2 LYS A 37 8.960 -10.136 2.121 1.00 0.00 H new ATOM 0 HB3 LYS A 37 9.583 -11.242 0.914 1.00 0.00 H new ATOM 0 HG2 LYS A 37 7.040 -9.596 0.655 1.00 0.00 H new ATOM 0 HG3 LYS A 37 8.576 -9.228 -0.104 1.00 0.00 H new ATOM 0 HD2 LYS A 37 7.372 -11.946 -0.575 1.00 0.00 H new ATOM 0 HD3 LYS A 37 6.660 -10.571 -1.396 1.00 0.00 H new ATOM 0 HE2 LYS A 37 8.439 -11.710 -2.739 1.00 0.00 H new ATOM 0 HE3 LYS A 37 8.763 -10.011 -2.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 10.699 -11.499 -2.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 10.324 -10.546 -0.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 9.898 -12.190 -0.783 1.00 0.00 H new ATOM 552 N GLY A 38 7.745 -13.234 3.991 1.00 0.00 N ATOM 553 CA GLY A 38 8.279 -13.777 5.226 1.00 0.00 C ATOM 554 C GLY A 38 8.604 -15.253 5.118 1.00 0.00 C ATOM 555 O GLY A 38 8.669 -15.803 4.019 1.00 0.00 O ATOM 0 H GLY A 38 6.777 -13.490 3.794 1.00 0.00 H new ATOM 0 HA2 GLY A 38 9.180 -13.229 5.500 1.00 0.00 H new ATOM 0 HA3 GLY A 38 7.557 -13.625 6.028 1.00 0.00 H new ATOM 559 N SER A 39 8.809 -15.898 6.263 1.00 0.00 N ATOM 560 CA SER A 39 9.134 -17.319 6.292 1.00 0.00 C ATOM 561 C SER A 39 7.903 -18.151 6.635 1.00 0.00 C ATOM 562 O SER A 39 7.624 -19.162 5.990 1.00 0.00 O ATOM 563 CB SER A 39 10.246 -17.588 7.308 1.00 0.00 C ATOM 564 OG SER A 39 10.383 -18.977 7.558 1.00 0.00 O ATOM 0 H SER A 39 8.756 -15.459 7.182 1.00 0.00 H new ATOM 0 HA SER A 39 9.480 -17.608 5.300 1.00 0.00 H new ATOM 0 HB2 SER A 39 11.189 -17.188 6.935 1.00 0.00 H new ATOM 0 HB3 SER A 39 10.025 -17.067 8.240 1.00 0.00 H new ATOM 0 HG SER A 39 11.101 -19.123 8.209 1.00 0.00 H new ATOM 570 N ILE A 40 7.170 -17.718 7.656 1.00 0.00 N ATOM 571 CA ILE A 40 5.968 -18.422 8.085 1.00 0.00 C ATOM 572 C ILE A 40 4.767 -17.483 8.128 1.00 0.00 C ATOM 573 O ILE A 40 4.914 -16.266 8.020 1.00 0.00 O ATOM 574 CB ILE A 40 6.155 -19.062 9.473 1.00 0.00 C ATOM 575 CG1 ILE A 40 6.403 -17.981 10.527 1.00 0.00 C ATOM 576 CG2 ILE A 40 7.305 -20.058 9.446 1.00 0.00 C ATOM 577 CD1 ILE A 40 7.737 -17.284 10.375 1.00 0.00 C ATOM 0 H ILE A 40 7.388 -16.884 8.201 1.00 0.00 H new ATOM 0 HA ILE A 40 5.785 -19.209 7.353 1.00 0.00 H new ATOM 0 HB ILE A 40 5.243 -19.597 9.737 1.00 0.00 H new ATOM 0 HG12 ILE A 40 5.606 -17.240 10.470 1.00 0.00 H new ATOM 0 HG13 ILE A 40 6.348 -18.432 11.518 1.00 0.00 H new ATOM 0 HG21 ILE A 40 7.425 -20.502 10.434 1.00 0.00 H new ATOM 0 HG22 ILE A 40 7.091 -20.842 8.720 1.00 0.00 H new ATOM 0 HG23 ILE A 40 8.224 -19.545 9.165 1.00 0.00 H new ATOM 0 HD11 ILE A 40 7.845 -16.531 11.155 1.00 0.00 H new ATOM 0 HD12 ILE A 40 8.541 -18.015 10.462 1.00 0.00 H new ATOM 0 HD13 ILE A 40 7.787 -16.804 9.398 1.00 0.00 H new ATOM 589 N ASP A 41 3.580 -18.057 8.289 1.00 0.00 N ATOM 590 CA ASP A 41 2.353 -17.271 8.350 1.00 0.00 C ATOM 591 C ASP A 41 2.596 -15.936 9.046 1.00 0.00 C ATOM 592 O ASP A 41 2.850 -15.889 10.249 1.00 0.00 O ATOM 593 CB ASP A 41 1.259 -18.050 9.082 1.00 0.00 C ATOM 594 CG ASP A 41 0.970 -19.390 8.434 1.00 0.00 C ATOM 595 OD1 ASP A 41 1.758 -20.335 8.648 1.00 0.00 O ATOM 596 OD2 ASP A 41 -0.046 -19.494 7.715 1.00 0.00 O ATOM 0 H ASP A 41 3.441 -19.063 8.380 1.00 0.00 H new ATOM 0 HA ASP A 41 2.027 -17.073 7.329 1.00 0.00 H new ATOM 0 HB2 ASP A 41 1.560 -18.208 10.118 1.00 0.00 H new ATOM 0 HB3 ASP A 41 0.346 -17.455 9.103 1.00 0.00 H new ATOM 601 N ALA A 42 2.518 -14.852 8.281 1.00 0.00 N ATOM 602 CA ALA A 42 2.729 -13.516 8.824 1.00 0.00 C ATOM 603 C ALA A 42 1.401 -12.822 9.106 1.00 0.00 C ATOM 604 O ALA A 42 0.418 -13.029 8.394 1.00 0.00 O ATOM 605 CB ALA A 42 3.569 -12.684 7.867 1.00 0.00 C ATOM 0 H ALA A 42 2.310 -14.873 7.283 1.00 0.00 H new ATOM 0 HA ALA A 42 3.265 -13.615 9.768 1.00 0.00 H new ATOM 0 HB1 ALA A 42 3.719 -11.689 8.285 1.00 0.00 H new ATOM 0 HB2 ALA A 42 4.536 -13.165 7.720 1.00 0.00 H new ATOM 0 HB3 ALA A 42 3.055 -12.602 6.909 1.00 0.00 H new ATOM 611 N LEU A 43 1.379 -11.999 10.148 1.00 0.00 N ATOM 612 CA LEU A 43 0.171 -11.274 10.525 1.00 0.00 C ATOM 613 C LEU A 43 0.196 -9.851 9.977 1.00 0.00 C ATOM 614 O LEU A 43 1.263 -9.280 9.752 1.00 0.00 O ATOM 615 CB LEU A 43 0.024 -11.244 12.048 1.00 0.00 C ATOM 616 CG LEU A 43 -0.754 -12.403 12.671 1.00 0.00 C ATOM 617 CD1 LEU A 43 -2.219 -12.339 12.269 1.00 0.00 C ATOM 618 CD2 LEU A 43 -0.145 -13.736 12.261 1.00 0.00 C ATOM 0 H LEU A 43 2.184 -11.817 10.747 1.00 0.00 H new ATOM 0 HA LEU A 43 -0.684 -11.794 10.094 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.021 -11.224 12.489 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.467 -10.312 12.327 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.691 -12.316 13.756 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.757 -13.172 12.722 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.650 -11.399 12.613 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.302 -12.401 11.184 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.712 -14.550 12.714 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.176 -13.832 11.176 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.890 -13.783 12.599 1.00 0.00 H new ATOM 630 N PHE A 44 -0.987 -9.283 9.766 1.00 0.00 N ATOM 631 CA PHE A 44 -1.101 -7.926 9.245 1.00 0.00 C ATOM 632 C PHE A 44 -2.360 -7.245 9.772 1.00 0.00 C ATOM 633 O PHE A 44 -3.435 -7.843 9.805 1.00 0.00 O ATOM 634 CB PHE A 44 -1.119 -7.944 7.715 1.00 0.00 C ATOM 635 CG PHE A 44 -2.438 -8.373 7.136 1.00 0.00 C ATOM 636 CD1 PHE A 44 -2.777 -9.715 7.072 1.00 0.00 C ATOM 637 CD2 PHE A 44 -3.337 -7.434 6.656 1.00 0.00 C ATOM 638 CE1 PHE A 44 -3.989 -10.113 6.541 1.00 0.00 C ATOM 639 CE2 PHE A 44 -4.551 -7.826 6.124 1.00 0.00 C ATOM 640 CZ PHE A 44 -4.877 -9.167 6.065 1.00 0.00 C ATOM 0 H PHE A 44 -1.880 -9.741 9.948 1.00 0.00 H new ATOM 0 HA PHE A 44 -0.234 -7.359 9.584 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -0.875 -6.948 7.345 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -0.339 -8.616 7.358 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -2.086 -10.458 7.441 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -3.086 -6.384 6.698 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -4.242 -11.162 6.498 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -5.244 -7.085 5.755 1.00 0.00 H new ATOM 0 HZ PHE A 44 -5.824 -9.476 5.648 1.00 0.00 H new ATOM 650 N ASN A 45 -2.219 -5.989 10.184 1.00 0.00 N ATOM 651 CA ASN A 45 -3.344 -5.226 10.711 1.00 0.00 C ATOM 652 C ASN A 45 -3.254 -3.762 10.290 1.00 0.00 C ATOM 653 O ASN A 45 -2.162 -3.211 10.155 1.00 0.00 O ATOM 654 CB ASN A 45 -3.386 -5.328 12.237 1.00 0.00 C ATOM 655 CG ASN A 45 -3.142 -6.741 12.729 1.00 0.00 C ATOM 656 OD1 ASN A 45 -2.186 -7.398 12.316 1.00 0.00 O ATOM 657 ND2 ASN A 45 -4.008 -7.217 13.616 1.00 0.00 N ATOM 0 H ASN A 45 -1.336 -5.478 10.163 1.00 0.00 H new ATOM 0 HA ASN A 45 -4.261 -5.648 10.300 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -2.635 -4.663 12.664 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -4.356 -4.984 12.595 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -3.895 -8.162 13.983 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -4.786 -6.637 13.931 1.00 0.00 H new ATOM 664 N MET A 46 -4.410 -3.139 10.085 1.00 0.00 N ATOM 665 CA MET A 46 -4.461 -1.739 9.681 1.00 0.00 C ATOM 666 C MET A 46 -4.717 -0.835 10.883 1.00 0.00 C ATOM 667 O MET A 46 -5.594 -1.109 11.703 1.00 0.00 O ATOM 668 CB MET A 46 -5.551 -1.529 8.629 1.00 0.00 C ATOM 669 CG MET A 46 -5.459 -2.492 7.457 1.00 0.00 C ATOM 670 SD MET A 46 -4.131 -2.068 6.313 1.00 0.00 S ATOM 671 CE MET A 46 -4.597 -0.400 5.857 1.00 0.00 C ATOM 0 H MET A 46 -5.323 -3.581 10.192 1.00 0.00 H new ATOM 0 HA MET A 46 -3.495 -1.476 9.250 1.00 0.00 H new ATOM 0 HB2 MET A 46 -6.527 -1.638 9.102 1.00 0.00 H new ATOM 0 HB3 MET A 46 -5.491 -0.507 8.254 1.00 0.00 H new ATOM 0 HG2 MET A 46 -5.300 -3.502 7.834 1.00 0.00 H new ATOM 0 HG3 MET A 46 -6.408 -2.497 6.920 1.00 0.00 H new ATOM 0 HE1 MET A 46 -4.589 -0.304 4.771 1.00 0.00 H new ATOM 0 HE2 MET A 46 -5.598 -0.186 6.233 1.00 0.00 H new ATOM 0 HE3 MET A 46 -3.888 0.307 6.289 1.00 0.00 H new ATOM 681 N THR A 47 -3.946 0.243 10.983 1.00 0.00 N ATOM 682 CA THR A 47 -4.089 1.186 12.085 1.00 0.00 C ATOM 683 C THR A 47 -5.133 2.250 11.767 1.00 0.00 C ATOM 684 O THR A 47 -5.190 2.787 10.660 1.00 0.00 O ATOM 685 CB THR A 47 -2.751 1.876 12.410 1.00 0.00 C ATOM 686 OG1 THR A 47 -1.782 0.902 12.813 1.00 0.00 O ATOM 687 CG2 THR A 47 -2.929 2.908 13.514 1.00 0.00 C ATOM 0 H THR A 47 -3.215 0.485 10.313 1.00 0.00 H new ATOM 0 HA THR A 47 -4.414 0.612 12.953 1.00 0.00 H new ATOM 0 HB THR A 47 -2.402 2.384 11.511 1.00 0.00 H new ATOM 0 HG1 THR A 47 -0.934 1.349 13.016 1.00 0.00 H new ATOM 0 HG21 THR A 47 -1.971 3.382 13.727 1.00 0.00 H new ATOM 0 HG22 THR A 47 -3.645 3.664 13.193 1.00 0.00 H new ATOM 0 HG23 THR A 47 -3.299 2.417 14.414 1.00 0.00 H new ATOM 695 N PRO A 48 -5.979 2.565 12.759 1.00 0.00 N ATOM 696 CA PRO A 48 -7.037 3.569 12.608 1.00 0.00 C ATOM 697 C PRO A 48 -6.481 4.985 12.502 1.00 0.00 C ATOM 698 O PRO A 48 -5.597 5.389 13.258 1.00 0.00 O ATOM 699 CB PRO A 48 -7.859 3.412 13.890 1.00 0.00 C ATOM 700 CG PRO A 48 -6.907 2.843 14.884 1.00 0.00 C ATOM 701 CD PRO A 48 -5.969 1.965 14.103 1.00 0.00 C ATOM 0 HA PRO A 48 -7.613 3.421 11.695 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -8.256 4.370 14.226 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -8.712 2.751 13.735 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -6.363 3.634 15.400 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -7.435 2.270 15.646 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -4.968 1.963 14.534 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -6.310 0.930 14.083 1.00 0.00 H new ATOM 709 N PRO A 49 -7.008 5.758 11.541 1.00 0.00 N ATOM 710 CA PRO A 49 -6.579 7.141 11.313 1.00 0.00 C ATOM 711 C PRO A 49 -7.013 8.074 12.439 1.00 0.00 C ATOM 712 O PRO A 49 -7.833 7.709 13.282 1.00 0.00 O ATOM 713 CB PRO A 49 -7.279 7.519 10.006 1.00 0.00 C ATOM 714 CG PRO A 49 -8.473 6.629 9.944 1.00 0.00 C ATOM 715 CD PRO A 49 -8.064 5.341 10.603 1.00 0.00 C ATOM 0 HA PRO A 49 -5.493 7.230 11.272 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -7.568 8.570 10.001 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -6.625 7.364 9.148 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -9.322 7.079 10.459 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -8.780 6.459 8.912 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -8.900 4.872 11.122 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -7.694 4.618 9.876 1.00 0.00 H new ATOM 723 N THR A 50 -6.458 9.282 12.446 1.00 0.00 N ATOM 724 CA THR A 50 -6.787 10.268 13.468 1.00 0.00 C ATOM 725 C THR A 50 -7.183 11.600 12.841 1.00 0.00 C ATOM 726 O THR A 50 -6.776 12.663 13.309 1.00 0.00 O ATOM 727 CB THR A 50 -5.604 10.498 14.428 1.00 0.00 C ATOM 728 OG1 THR A 50 -5.059 9.240 14.843 1.00 0.00 O ATOM 729 CG2 THR A 50 -6.045 11.293 15.648 1.00 0.00 C ATOM 0 H THR A 50 -5.779 9.601 11.755 1.00 0.00 H new ATOM 0 HA THR A 50 -7.631 9.869 14.031 1.00 0.00 H new ATOM 0 HB THR A 50 -4.840 11.068 13.899 1.00 0.00 H new ATOM 0 HG1 THR A 50 -4.307 9.394 15.452 1.00 0.00 H new ATOM 0 HG21 THR A 50 -5.193 11.443 16.312 1.00 0.00 H new ATOM 0 HG22 THR A 50 -6.433 12.261 15.331 1.00 0.00 H new ATOM 0 HG23 THR A 50 -6.825 10.745 16.177 1.00 0.00 H new ATOM 737 N SER A 51 -7.979 11.535 11.779 1.00 0.00 N ATOM 738 CA SER A 51 -8.428 12.736 11.085 1.00 0.00 C ATOM 739 C SER A 51 -9.809 12.525 10.471 1.00 0.00 C ATOM 740 O SER A 51 -10.289 11.397 10.370 1.00 0.00 O ATOM 741 CB SER A 51 -7.427 13.125 9.995 1.00 0.00 C ATOM 742 OG SER A 51 -6.372 13.907 10.527 1.00 0.00 O ATOM 0 H SER A 51 -8.326 10.663 11.380 1.00 0.00 H new ATOM 0 HA SER A 51 -8.493 13.544 11.814 1.00 0.00 H new ATOM 0 HB2 SER A 51 -7.020 12.226 9.533 1.00 0.00 H new ATOM 0 HB3 SER A 51 -7.938 13.683 9.210 1.00 0.00 H new ATOM 0 HG SER A 51 -6.295 13.741 11.490 1.00 0.00 H new ATOM 748 N ALA A 52 -10.442 13.621 10.063 1.00 0.00 N ATOM 749 CA ALA A 52 -11.766 13.557 9.458 1.00 0.00 C ATOM 750 C ALA A 52 -11.721 12.839 8.113 1.00 0.00 C ATOM 751 O ALA A 52 -12.450 11.872 7.889 1.00 0.00 O ATOM 752 CB ALA A 52 -12.338 14.957 9.292 1.00 0.00 C ATOM 0 H ALA A 52 -10.059 14.563 10.141 1.00 0.00 H new ATOM 0 HA ALA A 52 -12.415 12.987 10.123 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -13.327 14.894 8.839 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -12.415 15.436 10.268 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -11.682 15.545 8.650 1.00 0.00 H new ATOM 758 N LEU A 53 -10.862 13.318 7.221 1.00 0.00 N ATOM 759 CA LEU A 53 -10.722 12.722 5.897 1.00 0.00 C ATOM 760 C LEU A 53 -10.053 11.354 5.983 1.00 0.00 C ATOM 761 O LEU A 53 -10.499 10.393 5.359 1.00 0.00 O ATOM 762 CB LEU A 53 -9.910 13.643 4.984 1.00 0.00 C ATOM 763 CG LEU A 53 -10.209 13.540 3.488 1.00 0.00 C ATOM 764 CD1 LEU A 53 -10.363 12.085 3.074 1.00 0.00 C ATOM 765 CD2 LEU A 53 -11.461 14.332 3.139 1.00 0.00 C ATOM 0 H LEU A 53 -10.252 14.118 7.390 1.00 0.00 H new ATOM 0 HA LEU A 53 -11.720 12.592 5.477 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -10.079 14.673 5.298 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -8.852 13.433 5.138 1.00 0.00 H new ATOM 0 HG LEU A 53 -9.369 13.966 2.938 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -10.575 12.031 2.006 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -9.440 11.546 3.288 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -11.184 11.633 3.631 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -11.659 14.248 2.070 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -12.309 13.936 3.697 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -11.313 15.380 3.399 1.00 0.00 H new ATOM 777 N GLY A 54 -8.980 11.274 6.764 1.00 0.00 N ATOM 778 CA GLY A 54 -8.268 10.019 6.920 1.00 0.00 C ATOM 779 C GLY A 54 -9.167 8.898 7.399 1.00 0.00 C ATOM 780 O GLY A 54 -8.978 7.740 7.028 1.00 0.00 O ATOM 0 H GLY A 54 -8.591 12.056 7.291 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -7.819 9.739 5.967 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -7.451 10.154 7.629 1.00 0.00 H new ATOM 784 N ALA A 55 -10.149 9.241 8.227 1.00 0.00 N ATOM 785 CA ALA A 55 -11.081 8.255 8.758 1.00 0.00 C ATOM 786 C ALA A 55 -12.226 8.001 7.782 1.00 0.00 C ATOM 787 O ALA A 55 -13.345 7.691 8.192 1.00 0.00 O ATOM 788 CB ALA A 55 -11.623 8.711 10.104 1.00 0.00 C ATOM 0 H ALA A 55 -10.319 10.195 8.544 1.00 0.00 H new ATOM 0 HA ALA A 55 -10.541 7.318 8.896 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -12.318 7.964 10.488 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -10.798 8.834 10.806 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -12.142 9.662 9.984 1.00 0.00 H new ATOM 794 N CYS A 56 -11.938 8.135 6.493 1.00 0.00 N ATOM 795 CA CYS A 56 -12.945 7.922 5.459 1.00 0.00 C ATOM 796 C CYS A 56 -12.655 6.648 4.672 1.00 0.00 C ATOM 797 O CYS A 56 -13.550 6.067 4.058 1.00 0.00 O ATOM 798 CB CYS A 56 -12.995 9.121 4.511 1.00 0.00 C ATOM 799 SG CYS A 56 -13.629 10.635 5.269 1.00 0.00 S ATOM 0 H CYS A 56 -11.016 8.390 6.138 1.00 0.00 H new ATOM 0 HA CYS A 56 -13.914 7.814 5.947 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -11.992 9.311 4.129 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -13.619 8.867 3.654 1.00 0.00 H new ATOM 0 HG CYS A 56 -12.946 10.901 6.343 1.00 0.00 H new ATOM 805 N PHE A 57 -11.397 6.220 4.692 1.00 0.00 N ATOM 806 CA PHE A 57 -10.987 5.016 3.979 1.00 0.00 C ATOM 807 C PHE A 57 -11.239 3.770 4.823 1.00 0.00 C ATOM 808 O PHE A 57 -10.758 3.664 5.952 1.00 0.00 O ATOM 809 CB PHE A 57 -9.506 5.100 3.602 1.00 0.00 C ATOM 810 CG PHE A 57 -9.190 6.229 2.664 1.00 0.00 C ATOM 811 CD1 PHE A 57 -9.057 7.524 3.138 1.00 0.00 C ATOM 812 CD2 PHE A 57 -9.023 5.995 1.308 1.00 0.00 C ATOM 813 CE1 PHE A 57 -8.767 8.565 2.276 1.00 0.00 C ATOM 814 CE2 PHE A 57 -8.732 7.032 0.442 1.00 0.00 C ATOM 815 CZ PHE A 57 -8.602 8.319 0.927 1.00 0.00 C ATOM 0 H PHE A 57 -10.644 6.689 5.194 1.00 0.00 H new ATOM 0 HA PHE A 57 -11.583 4.943 3.069 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -8.914 5.216 4.510 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -9.203 4.160 3.142 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -9.181 7.722 4.192 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -9.121 4.990 0.924 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -8.669 9.571 2.657 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -8.606 6.836 -0.613 1.00 0.00 H new ATOM 0 HZ PHE A 57 -8.372 9.131 0.253 1.00 0.00 H new ATOM 825 N VAL A 58 -11.997 2.830 4.269 1.00 0.00 N ATOM 826 CA VAL A 58 -12.314 1.591 4.969 1.00 0.00 C ATOM 827 C VAL A 58 -11.424 0.448 4.494 1.00 0.00 C ATOM 828 O VAL A 58 -11.649 -0.126 3.429 1.00 0.00 O ATOM 829 CB VAL A 58 -13.789 1.195 4.772 1.00 0.00 C ATOM 830 CG1 VAL A 58 -14.090 -0.115 5.483 1.00 0.00 C ATOM 831 CG2 VAL A 58 -14.708 2.303 5.264 1.00 0.00 C ATOM 0 H VAL A 58 -12.404 2.903 3.336 1.00 0.00 H new ATOM 0 HA VAL A 58 -12.134 1.772 6.029 1.00 0.00 H new ATOM 0 HB VAL A 58 -13.970 1.051 3.707 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -15.137 -0.378 5.332 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -13.456 -0.903 5.078 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -13.894 -0.004 6.549 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -15.747 2.006 5.117 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -14.528 2.481 6.324 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -14.509 3.216 4.704 1.00 0.00 H new ATOM 841 N PHE A 59 -10.412 0.122 5.291 1.00 0.00 N ATOM 842 CA PHE A 59 -9.487 -0.952 4.952 1.00 0.00 C ATOM 843 C PHE A 59 -9.916 -2.265 5.601 1.00 0.00 C ATOM 844 O PHE A 59 -10.250 -2.304 6.785 1.00 0.00 O ATOM 845 CB PHE A 59 -8.067 -0.591 5.395 1.00 0.00 C ATOM 846 CG PHE A 59 -7.474 0.556 4.629 1.00 0.00 C ATOM 847 CD1 PHE A 59 -7.706 1.864 5.024 1.00 0.00 C ATOM 848 CD2 PHE A 59 -6.684 0.328 3.514 1.00 0.00 C ATOM 849 CE1 PHE A 59 -7.162 2.922 4.320 1.00 0.00 C ATOM 850 CE2 PHE A 59 -6.137 1.382 2.806 1.00 0.00 C ATOM 851 CZ PHE A 59 -6.375 2.680 3.211 1.00 0.00 C ATOM 0 H PHE A 59 -10.212 0.587 6.177 1.00 0.00 H new ATOM 0 HA PHE A 59 -9.501 -1.080 3.870 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -8.078 -0.342 6.456 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -7.426 -1.465 5.280 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -8.319 2.059 5.892 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -6.493 -0.686 3.194 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -7.352 3.937 4.637 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -5.524 1.190 1.937 1.00 0.00 H new ATOM 0 HZ PHE A 59 -5.946 3.505 2.662 1.00 0.00 H new ATOM 861 N SER A 60 -9.905 -3.338 4.817 1.00 0.00 N ATOM 862 CA SER A 60 -10.297 -4.652 5.313 1.00 0.00 C ATOM 863 C SER A 60 -9.604 -5.759 4.525 1.00 0.00 C ATOM 864 O SER A 60 -9.153 -5.564 3.396 1.00 0.00 O ATOM 865 CB SER A 60 -11.815 -4.821 5.226 1.00 0.00 C ATOM 866 OG SER A 60 -12.454 -4.284 6.371 1.00 0.00 O ATOM 0 H SER A 60 -9.629 -3.323 3.835 1.00 0.00 H new ATOM 0 HA SER A 60 -9.990 -4.726 6.356 1.00 0.00 H new ATOM 0 HB2 SER A 60 -12.189 -4.324 4.331 1.00 0.00 H new ATOM 0 HB3 SER A 60 -12.062 -5.878 5.130 1.00 0.00 H new ATOM 0 HG SER A 60 -11.892 -3.582 6.760 1.00 0.00 H new ATOM 872 N PRO A 61 -9.517 -6.951 5.133 1.00 0.00 N ATOM 873 CA PRO A 61 -10.049 -7.195 6.477 1.00 0.00 C ATOM 874 C PRO A 61 -9.248 -6.475 7.557 1.00 0.00 C ATOM 875 O PRO A 61 -8.022 -6.397 7.487 1.00 0.00 O ATOM 876 CB PRO A 61 -9.922 -8.712 6.639 1.00 0.00 C ATOM 877 CG PRO A 61 -8.814 -9.099 5.722 1.00 0.00 C ATOM 878 CD PRO A 61 -8.890 -8.153 4.556 1.00 0.00 C ATOM 0 HA PRO A 61 -11.069 -6.825 6.585 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -9.695 -8.982 7.670 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -10.850 -9.218 6.374 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -7.849 -9.024 6.223 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -8.923 -10.133 5.393 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -7.902 -7.935 4.150 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -9.486 -8.566 3.742 1.00 0.00 H new ATOM 886 N LYS A 62 -9.950 -5.951 8.556 1.00 0.00 N ATOM 887 CA LYS A 62 -9.305 -5.238 9.653 1.00 0.00 C ATOM 888 C LYS A 62 -8.002 -5.921 10.053 1.00 0.00 C ATOM 889 O LYS A 62 -7.049 -5.263 10.469 1.00 0.00 O ATOM 890 CB LYS A 62 -10.244 -5.160 10.859 1.00 0.00 C ATOM 891 CG LYS A 62 -10.642 -6.519 11.409 1.00 0.00 C ATOM 892 CD LYS A 62 -11.919 -6.437 12.227 1.00 0.00 C ATOM 893 CE LYS A 62 -11.658 -5.865 13.612 1.00 0.00 C ATOM 894 NZ LYS A 62 -11.161 -6.904 14.557 1.00 0.00 N ATOM 0 H LYS A 62 -10.966 -6.007 8.629 1.00 0.00 H new ATOM 0 HA LYS A 62 -9.076 -4.228 9.313 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -9.760 -4.585 11.649 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -11.144 -4.615 10.574 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -10.781 -7.219 10.585 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -9.836 -6.912 12.029 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -12.647 -5.814 11.706 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -12.358 -7.431 12.319 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -10.927 -5.060 13.540 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -12.577 -5.428 14.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -10.995 -6.474 15.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -11.869 -7.660 14.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -10.271 -7.304 14.197 1.00 0.00 H new ATOM 908 N GLU A 63 -7.967 -7.244 9.923 1.00 0.00 N ATOM 909 CA GLU A 63 -6.779 -8.014 10.271 1.00 0.00 C ATOM 910 C GLU A 63 -6.878 -9.439 9.735 1.00 0.00 C ATOM 911 O GLU A 63 -7.972 -9.954 9.507 1.00 0.00 O ATOM 912 CB GLU A 63 -6.588 -8.040 11.789 1.00 0.00 C ATOM 913 CG GLU A 63 -7.623 -8.880 12.518 1.00 0.00 C ATOM 914 CD GLU A 63 -7.225 -9.184 13.950 1.00 0.00 C ATOM 915 OE1 GLU A 63 -7.375 -8.291 14.809 1.00 0.00 O ATOM 916 OE2 GLU A 63 -6.762 -10.315 14.210 1.00 0.00 O ATOM 0 H GLU A 63 -8.747 -7.804 9.579 1.00 0.00 H new ATOM 0 HA GLU A 63 -5.917 -7.531 9.812 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -5.594 -8.426 12.015 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -6.627 -7.019 12.169 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -8.579 -8.356 12.514 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -7.770 -9.816 11.979 1.00 0.00 H new ATOM 923 N GLY A 64 -5.725 -10.072 9.535 1.00 0.00 N ATOM 924 CA GLY A 64 -5.703 -11.431 9.027 1.00 0.00 C ATOM 925 C GLY A 64 -4.299 -11.996 8.943 1.00 0.00 C ATOM 926 O GLY A 64 -3.361 -11.429 9.503 1.00 0.00 O ATOM 0 H GLY A 64 -4.806 -9.667 9.716 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -6.309 -12.067 9.672 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -6.160 -11.453 8.038 1.00 0.00 H new ATOM 930 N ILE A 65 -4.155 -13.115 8.242 1.00 0.00 N ATOM 931 CA ILE A 65 -2.855 -13.757 8.087 1.00 0.00 C ATOM 932 C ILE A 65 -2.513 -13.957 6.615 1.00 0.00 C ATOM 933 O ILE A 65 -3.337 -14.436 5.835 1.00 0.00 O ATOM 934 CB ILE A 65 -2.812 -15.120 8.803 1.00 0.00 C ATOM 935 CG1 ILE A 65 -3.122 -14.949 10.292 1.00 0.00 C ATOM 936 CG2 ILE A 65 -1.453 -15.776 8.611 1.00 0.00 C ATOM 937 CD1 ILE A 65 -3.531 -16.235 10.975 1.00 0.00 C ATOM 0 H ILE A 65 -4.922 -13.596 7.772 1.00 0.00 H new ATOM 0 HA ILE A 65 -2.119 -13.094 8.541 1.00 0.00 H new ATOM 0 HB ILE A 65 -3.572 -15.768 8.366 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -2.243 -14.544 10.794 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -3.921 -14.216 10.407 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -1.438 -16.738 9.123 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -1.269 -15.928 7.547 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -0.677 -15.133 9.025 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -3.735 -16.039 12.028 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -4.428 -16.631 10.499 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -2.725 -16.964 10.892 1.00 0.00 H new ATOM 949 N ILE A 66 -1.292 -13.589 6.242 1.00 0.00 N ATOM 950 CA ILE A 66 -0.839 -13.731 4.864 1.00 0.00 C ATOM 951 C ILE A 66 0.204 -14.836 4.739 1.00 0.00 C ATOM 952 O ILE A 66 1.380 -14.629 5.036 1.00 0.00 O ATOM 953 CB ILE A 66 -0.244 -12.415 4.328 1.00 0.00 C ATOM 954 CG1 ILE A 66 -1.035 -11.218 4.860 1.00 0.00 C ATOM 955 CG2 ILE A 66 -0.235 -12.418 2.807 1.00 0.00 C ATOM 956 CD1 ILE A 66 -0.476 -9.882 4.422 1.00 0.00 C ATOM 0 H ILE A 66 -0.599 -13.190 6.875 1.00 0.00 H new ATOM 0 HA ILE A 66 -1.715 -13.993 4.270 1.00 0.00 H new ATOM 0 HB ILE A 66 0.785 -12.330 4.677 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -2.069 -11.298 4.524 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -1.049 -11.257 5.949 1.00 0.00 H new ATOM 0 HG21 ILE A 66 0.188 -11.481 2.444 1.00 0.00 H new ATOM 0 HG22 ILE A 66 0.368 -13.252 2.448 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -1.255 -12.523 2.437 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -1.086 -9.079 4.836 1.00 0.00 H new ATOM 0 HD12 ILE A 66 0.548 -9.781 4.781 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -0.487 -9.822 3.334 1.00 0.00 H new ATOM 968 N GLU A 67 -0.236 -16.010 4.295 1.00 0.00 N ATOM 969 CA GLU A 67 0.661 -17.148 4.130 1.00 0.00 C ATOM 970 C GLU A 67 1.969 -16.718 3.472 1.00 0.00 C ATOM 971 O GLU A 67 2.023 -15.751 2.712 1.00 0.00 O ATOM 972 CB GLU A 67 -0.011 -18.237 3.292 1.00 0.00 C ATOM 973 CG GLU A 67 -0.557 -17.735 1.966 1.00 0.00 C ATOM 974 CD GLU A 67 -1.883 -17.014 2.117 1.00 0.00 C ATOM 975 OE1 GLU A 67 -2.897 -17.690 2.391 1.00 0.00 O ATOM 976 OE2 GLU A 67 -1.907 -15.776 1.960 1.00 0.00 O ATOM 0 H GLU A 67 -1.207 -16.197 4.044 1.00 0.00 H new ATOM 0 HA GLU A 67 0.886 -17.548 5.119 1.00 0.00 H new ATOM 0 HB2 GLU A 67 0.709 -19.033 3.101 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -0.826 -18.676 3.868 1.00 0.00 H new ATOM 0 HG2 GLU A 67 0.169 -17.062 1.510 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -0.681 -18.578 1.286 1.00 0.00 H new ATOM 983 N PRO A 68 3.050 -17.454 3.770 1.00 0.00 N ATOM 984 CA PRO A 68 4.378 -17.169 3.219 1.00 0.00 C ATOM 985 C PRO A 68 4.464 -17.471 1.727 1.00 0.00 C ATOM 986 O PRO A 68 3.980 -18.504 1.264 1.00 0.00 O ATOM 987 CB PRO A 68 5.298 -18.105 4.007 1.00 0.00 C ATOM 988 CG PRO A 68 4.417 -19.225 4.440 1.00 0.00 C ATOM 989 CD PRO A 68 3.060 -18.621 4.668 1.00 0.00 C ATOM 0 HA PRO A 68 4.639 -16.115 3.311 1.00 0.00 H new ATOM 0 HB2 PRO A 68 6.121 -18.465 3.389 1.00 0.00 H new ATOM 0 HB3 PRO A 68 5.741 -17.596 4.863 1.00 0.00 H new ATOM 0 HG2 PRO A 68 4.374 -20.004 3.679 1.00 0.00 H new ATOM 0 HG3 PRO A 68 4.795 -19.689 5.351 1.00 0.00 H new ATOM 0 HD2 PRO A 68 2.262 -19.322 4.424 1.00 0.00 H new ATOM 0 HD3 PRO A 68 2.920 -18.328 5.709 1.00 0.00 H new ATOM 997 N SER A 69 5.082 -16.563 0.978 1.00 0.00 N ATOM 998 CA SER A 69 5.227 -16.731 -0.463 1.00 0.00 C ATOM 999 C SER A 69 3.879 -16.598 -1.164 1.00 0.00 C ATOM 1000 O SER A 69 3.637 -17.227 -2.194 1.00 0.00 O ATOM 1001 CB SER A 69 5.847 -18.093 -0.779 1.00 0.00 C ATOM 1002 OG SER A 69 6.884 -18.406 0.135 1.00 0.00 O ATOM 0 H SER A 69 5.490 -15.704 1.346 1.00 0.00 H new ATOM 0 HA SER A 69 5.887 -15.945 -0.831 1.00 0.00 H new ATOM 0 HB2 SER A 69 5.078 -18.864 -0.739 1.00 0.00 H new ATOM 0 HB3 SER A 69 6.242 -18.089 -1.795 1.00 0.00 H new ATOM 0 HG SER A 69 7.263 -19.282 -0.087 1.00 0.00 H new ATOM 1008 N GLY A 70 3.003 -15.773 -0.598 1.00 0.00 N ATOM 1009 CA GLY A 70 1.689 -15.572 -1.181 1.00 0.00 C ATOM 1010 C GLY A 70 1.296 -14.109 -1.232 1.00 0.00 C ATOM 1011 O GLY A 70 2.155 -13.228 -1.268 1.00 0.00 O ATOM 0 H GLY A 70 3.180 -15.240 0.254 1.00 0.00 H new ATOM 0 HA2 GLY A 70 1.675 -15.984 -2.190 1.00 0.00 H new ATOM 0 HA3 GLY A 70 0.949 -16.124 -0.601 1.00 0.00 H new ATOM 1015 N VAL A 71 -0.008 -13.848 -1.239 1.00 0.00 N ATOM 1016 CA VAL A 71 -0.514 -12.481 -1.287 1.00 0.00 C ATOM 1017 C VAL A 71 -1.868 -12.372 -0.596 1.00 0.00 C ATOM 1018 O VAL A 71 -2.525 -13.380 -0.335 1.00 0.00 O ATOM 1019 CB VAL A 71 -0.648 -11.984 -2.738 1.00 0.00 C ATOM 1020 CG1 VAL A 71 0.681 -12.102 -3.469 1.00 0.00 C ATOM 1021 CG2 VAL A 71 -1.737 -12.756 -3.467 1.00 0.00 C ATOM 0 H VAL A 71 -0.733 -14.565 -1.212 1.00 0.00 H new ATOM 0 HA VAL A 71 0.209 -11.856 -0.762 1.00 0.00 H new ATOM 0 HB VAL A 71 -0.931 -10.932 -2.718 1.00 0.00 H new ATOM 0 HG11 VAL A 71 0.566 -11.746 -4.493 1.00 0.00 H new ATOM 0 HG12 VAL A 71 1.432 -11.500 -2.958 1.00 0.00 H new ATOM 0 HG13 VAL A 71 0.998 -13.145 -3.481 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -1.818 -12.392 -4.491 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -1.486 -13.817 -3.478 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -2.689 -12.614 -2.955 1.00 0.00 H new ATOM 1031 N GLN A 72 -2.280 -11.143 -0.304 1.00 0.00 N ATOM 1032 CA GLN A 72 -3.558 -10.902 0.356 1.00 0.00 C ATOM 1033 C GLN A 72 -4.273 -9.706 -0.262 1.00 0.00 C ATOM 1034 O GLN A 72 -3.677 -8.647 -0.459 1.00 0.00 O ATOM 1035 CB GLN A 72 -3.345 -10.667 1.853 1.00 0.00 C ATOM 1036 CG GLN A 72 -4.600 -10.213 2.581 1.00 0.00 C ATOM 1037 CD GLN A 72 -5.566 -11.352 2.845 1.00 0.00 C ATOM 1038 OE1 GLN A 72 -5.280 -12.255 3.632 1.00 0.00 O ATOM 1039 NE2 GLN A 72 -6.719 -11.315 2.187 1.00 0.00 N ATOM 0 H GLN A 72 -1.748 -10.299 -0.514 1.00 0.00 H new ATOM 0 HA GLN A 72 -4.182 -11.785 0.219 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -2.983 -11.588 2.309 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -2.565 -9.917 1.988 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -4.319 -9.753 3.528 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -5.101 -9.446 1.990 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -6.915 -10.548 1.544 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -7.409 -12.054 2.325 1.00 0.00 H new ATOM 1048 N ALA A 73 -5.555 -9.881 -0.565 1.00 0.00 N ATOM 1049 CA ALA A 73 -6.353 -8.815 -1.159 1.00 0.00 C ATOM 1050 C ALA A 73 -6.948 -7.912 -0.085 1.00 0.00 C ATOM 1051 O ALA A 73 -7.663 -8.376 0.804 1.00 0.00 O ATOM 1052 CB ALA A 73 -7.455 -9.403 -2.028 1.00 0.00 C ATOM 0 H ALA A 73 -6.064 -10.751 -0.409 1.00 0.00 H new ATOM 0 HA ALA A 73 -5.698 -8.208 -1.784 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -8.043 -8.596 -2.465 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -7.011 -10.001 -2.824 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -8.102 -10.034 -1.418 1.00 0.00 H new ATOM 1058 N ILE A 74 -6.650 -6.620 -0.173 1.00 0.00 N ATOM 1059 CA ILE A 74 -7.157 -5.652 0.792 1.00 0.00 C ATOM 1060 C ILE A 74 -8.233 -4.769 0.171 1.00 0.00 C ATOM 1061 O ILE A 74 -7.979 -4.051 -0.796 1.00 0.00 O ATOM 1062 CB ILE A 74 -6.028 -4.758 1.339 1.00 0.00 C ATOM 1063 CG1 ILE A 74 -4.912 -5.617 1.938 1.00 0.00 C ATOM 1064 CG2 ILE A 74 -6.575 -3.790 2.377 1.00 0.00 C ATOM 1065 CD1 ILE A 74 -5.223 -6.128 3.327 1.00 0.00 C ATOM 0 H ILE A 74 -6.060 -6.219 -0.902 1.00 0.00 H new ATOM 0 HA ILE A 74 -7.588 -6.223 1.614 1.00 0.00 H new ATOM 0 HB ILE A 74 -5.611 -4.179 0.515 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -4.725 -6.466 1.281 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -3.993 -5.032 1.972 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -5.765 -3.165 2.754 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -7.338 -3.159 1.920 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -7.015 -4.351 3.202 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -4.389 -6.729 3.689 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -5.380 -5.284 3.998 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -6.124 -6.740 3.296 1.00 0.00 H new ATOM 1077 N GLN A 75 -9.436 -4.827 0.734 1.00 0.00 N ATOM 1078 CA GLN A 75 -10.551 -4.031 0.235 1.00 0.00 C ATOM 1079 C GLN A 75 -10.469 -2.597 0.747 1.00 0.00 C ATOM 1080 O GLN A 75 -10.398 -2.361 1.954 1.00 0.00 O ATOM 1081 CB GLN A 75 -11.881 -4.659 0.655 1.00 0.00 C ATOM 1082 CG GLN A 75 -12.325 -5.803 -0.243 1.00 0.00 C ATOM 1083 CD GLN A 75 -11.383 -6.989 -0.184 1.00 0.00 C ATOM 1084 OE1 GLN A 75 -11.493 -7.841 0.698 1.00 0.00 O ATOM 1085 NE2 GLN A 75 -10.449 -7.052 -1.126 1.00 0.00 N ATOM 0 H GLN A 75 -9.663 -5.416 1.535 1.00 0.00 H new ATOM 0 HA GLN A 75 -10.493 -4.013 -0.853 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -11.794 -5.024 1.678 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -12.652 -3.889 0.656 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -13.325 -6.123 0.050 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -12.392 -5.448 -1.271 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -10.393 -6.324 -1.838 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -9.787 -7.828 -1.137 1.00 0.00 H new ATOM 1094 N ILE A 76 -10.477 -1.642 -0.177 1.00 0.00 N ATOM 1095 CA ILE A 76 -10.404 -0.232 0.181 1.00 0.00 C ATOM 1096 C ILE A 76 -11.602 0.538 -0.366 1.00 0.00 C ATOM 1097 O ILE A 76 -11.689 0.800 -1.565 1.00 0.00 O ATOM 1098 CB ILE A 76 -9.109 0.416 -0.344 1.00 0.00 C ATOM 1099 CG1 ILE A 76 -7.886 -0.261 0.278 1.00 0.00 C ATOM 1100 CG2 ILE A 76 -9.105 1.908 -0.046 1.00 0.00 C ATOM 1101 CD1 ILE A 76 -6.571 0.236 -0.281 1.00 0.00 C ATOM 0 H ILE A 76 -10.533 -1.820 -1.180 1.00 0.00 H new ATOM 0 HA ILE A 76 -10.410 -0.183 1.270 1.00 0.00 H new ATOM 0 HB ILE A 76 -9.065 0.281 -1.425 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -7.899 -0.097 1.356 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -7.956 -1.337 0.118 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -8.184 2.352 -0.423 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -9.960 2.378 -0.532 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -9.169 2.064 1.031 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -5.748 -0.287 0.205 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -6.537 0.047 -1.354 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -6.479 1.307 -0.098 1.00 0.00 H new ATOM 1113 N SER A 77 -12.522 0.898 0.523 1.00 0.00 N ATOM 1114 CA SER A 77 -13.717 1.636 0.130 1.00 0.00 C ATOM 1115 C SER A 77 -13.689 3.054 0.692 1.00 0.00 C ATOM 1116 O SER A 77 -13.908 3.266 1.885 1.00 0.00 O ATOM 1117 CB SER A 77 -14.973 0.909 0.612 1.00 0.00 C ATOM 1118 OG SER A 77 -16.146 1.560 0.157 1.00 0.00 O ATOM 0 H SER A 77 -12.463 0.691 1.520 1.00 0.00 H new ATOM 0 HA SER A 77 -13.736 1.695 -0.958 1.00 0.00 H new ATOM 0 HB2 SER A 77 -14.962 -0.120 0.252 1.00 0.00 H new ATOM 0 HB3 SER A 77 -14.977 0.866 1.701 1.00 0.00 H new ATOM 0 HG SER A 77 -16.935 1.075 0.477 1.00 0.00 H new ATOM 1124 N PHE A 78 -13.418 4.023 -0.176 1.00 0.00 N ATOM 1125 CA PHE A 78 -13.360 5.421 0.232 1.00 0.00 C ATOM 1126 C PHE A 78 -14.646 6.151 -0.143 1.00 0.00 C ATOM 1127 O PHE A 78 -15.298 5.814 -1.131 1.00 0.00 O ATOM 1128 CB PHE A 78 -12.159 6.115 -0.415 1.00 0.00 C ATOM 1129 CG PHE A 78 -12.147 7.603 -0.215 1.00 0.00 C ATOM 1130 CD1 PHE A 78 -11.595 8.157 0.929 1.00 0.00 C ATOM 1131 CD2 PHE A 78 -12.687 8.448 -1.171 1.00 0.00 C ATOM 1132 CE1 PHE A 78 -11.582 9.526 1.116 1.00 0.00 C ATOM 1133 CE2 PHE A 78 -12.675 9.818 -0.990 1.00 0.00 C ATOM 1134 CZ PHE A 78 -12.124 10.358 0.156 1.00 0.00 C ATOM 0 H PHE A 78 -13.235 3.865 -1.167 1.00 0.00 H new ATOM 0 HA PHE A 78 -13.248 5.452 1.316 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -11.241 5.694 -0.004 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -12.158 5.900 -1.484 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -11.170 7.511 1.683 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -13.122 8.031 -2.067 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -11.148 9.945 2.012 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -13.096 10.466 -1.744 1.00 0.00 H new ATOM 0 HZ PHE A 78 -12.117 11.428 0.301 1.00 0.00 H new ATOM 1144 N SER A 79 -15.005 7.153 0.653 1.00 0.00 N ATOM 1145 CA SER A 79 -16.215 7.929 0.408 1.00 0.00 C ATOM 1146 C SER A 79 -16.308 9.109 1.370 1.00 0.00 C ATOM 1147 O SER A 79 -16.530 8.932 2.568 1.00 0.00 O ATOM 1148 CB SER A 79 -17.453 7.041 0.552 1.00 0.00 C ATOM 1149 OG SER A 79 -17.582 6.557 1.877 1.00 0.00 O ATOM 0 H SER A 79 -14.475 7.447 1.473 1.00 0.00 H new ATOM 0 HA SER A 79 -16.169 8.315 -0.610 1.00 0.00 H new ATOM 0 HB2 SER A 79 -18.344 7.607 0.280 1.00 0.00 H new ATOM 0 HB3 SER A 79 -17.385 6.202 -0.140 1.00 0.00 H new ATOM 0 HG SER A 79 -17.270 7.240 2.507 1.00 0.00 H new ATOM 1155 N SER A 80 -16.136 10.314 0.836 1.00 0.00 N ATOM 1156 CA SER A 80 -16.196 11.525 1.647 1.00 0.00 C ATOM 1157 C SER A 80 -16.898 12.650 0.892 1.00 0.00 C ATOM 1158 O SER A 80 -17.250 12.501 -0.279 1.00 0.00 O ATOM 1159 CB SER A 80 -14.787 11.966 2.048 1.00 0.00 C ATOM 1160 OG SER A 80 -14.830 12.929 3.087 1.00 0.00 O ATOM 0 H SER A 80 -15.954 10.478 -0.154 1.00 0.00 H new ATOM 0 HA SER A 80 -16.769 11.302 2.547 1.00 0.00 H new ATOM 0 HB2 SER A 80 -14.211 11.100 2.374 1.00 0.00 H new ATOM 0 HB3 SER A 80 -14.273 12.383 1.182 1.00 0.00 H new ATOM 0 HG SER A 80 -14.514 12.524 3.922 1.00 0.00 H new ATOM 1166 N ILE A 81 -17.097 13.775 1.571 1.00 0.00 N ATOM 1167 CA ILE A 81 -17.756 14.925 0.965 1.00 0.00 C ATOM 1168 C ILE A 81 -16.959 16.203 1.203 1.00 0.00 C ATOM 1169 O ILE A 81 -17.513 17.303 1.189 1.00 0.00 O ATOM 1170 CB ILE A 81 -19.182 15.112 1.515 1.00 0.00 C ATOM 1171 CG1 ILE A 81 -19.154 15.209 3.042 1.00 0.00 C ATOM 1172 CG2 ILE A 81 -20.077 13.966 1.068 1.00 0.00 C ATOM 1173 CD1 ILE A 81 -18.990 16.622 3.555 1.00 0.00 C ATOM 0 H ILE A 81 -16.811 13.914 2.540 1.00 0.00 H new ATOM 0 HA ILE A 81 -17.812 14.729 -0.106 1.00 0.00 H new ATOM 0 HB ILE A 81 -19.590 16.041 1.118 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -20.078 14.791 3.441 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -18.337 14.596 3.422 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -21.082 14.113 1.465 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -20.117 13.939 -0.021 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -19.674 13.024 1.439 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -18.979 16.614 4.645 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -18.052 17.037 3.185 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -19.821 17.235 3.205 1.00 0.00 H new ATOM 1185 N ILE A 82 -15.657 16.051 1.421 1.00 0.00 N ATOM 1186 CA ILE A 82 -14.784 17.193 1.659 1.00 0.00 C ATOM 1187 C ILE A 82 -13.929 17.497 0.434 1.00 0.00 C ATOM 1188 O ILE A 82 -12.847 16.934 0.263 1.00 0.00 O ATOM 1189 CB ILE A 82 -13.861 16.953 2.868 1.00 0.00 C ATOM 1190 CG1 ILE A 82 -14.691 16.698 4.129 1.00 0.00 C ATOM 1191 CG2 ILE A 82 -12.932 18.141 3.070 1.00 0.00 C ATOM 1192 CD1 ILE A 82 -14.007 15.792 5.129 1.00 0.00 C ATOM 0 H ILE A 82 -15.184 15.148 1.438 1.00 0.00 H new ATOM 0 HA ILE A 82 -15.430 18.045 1.868 1.00 0.00 H new ATOM 0 HB ILE A 82 -13.252 16.070 2.672 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -14.913 17.652 4.607 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -15.645 16.255 3.843 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -12.286 17.956 3.928 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -12.320 18.280 2.179 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -13.523 19.039 3.248 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -14.652 15.655 5.997 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -13.809 14.824 4.668 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -13.066 16.243 5.444 1.00 0.00 H new ATOM 1204 N LEU A 83 -14.421 18.391 -0.417 1.00 0.00 N ATOM 1205 CA LEU A 83 -13.701 18.773 -1.627 1.00 0.00 C ATOM 1206 C LEU A 83 -12.296 19.263 -1.293 1.00 0.00 C ATOM 1207 O LEU A 83 -12.005 19.614 -0.151 1.00 0.00 O ATOM 1208 CB LEU A 83 -14.469 19.862 -2.378 1.00 0.00 C ATOM 1209 CG LEU A 83 -15.955 19.593 -2.617 1.00 0.00 C ATOM 1210 CD1 LEU A 83 -16.586 20.736 -3.397 1.00 0.00 C ATOM 1211 CD2 LEU A 83 -16.146 18.274 -3.352 1.00 0.00 C ATOM 0 H LEU A 83 -15.315 18.865 -0.291 1.00 0.00 H new ATOM 0 HA LEU A 83 -13.616 17.892 -2.263 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -14.374 20.795 -1.822 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -13.988 20.017 -3.344 1.00 0.00 H new ATOM 0 HG LEU A 83 -16.452 19.523 -1.650 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -17.644 20.527 -3.558 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -16.481 21.663 -2.833 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -16.086 20.839 -4.360 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -17.210 18.098 -3.514 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -15.635 18.316 -4.314 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -15.731 17.462 -2.756 1.00 0.00 H new ATOM 1223 N GLY A 84 -11.428 19.286 -2.300 1.00 0.00 N ATOM 1224 CA GLY A 84 -10.064 19.737 -2.094 1.00 0.00 C ATOM 1225 C GLY A 84 -9.079 18.587 -2.019 1.00 0.00 C ATOM 1226 O GLY A 84 -9.451 17.463 -1.686 1.00 0.00 O ATOM 0 H GLY A 84 -11.645 19.000 -3.255 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -9.778 20.404 -2.907 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -10.011 20.317 -1.173 1.00 0.00 H new ATOM 1230 N ASN A 85 -7.818 18.870 -2.330 1.00 0.00 N ATOM 1231 CA ASN A 85 -6.776 17.850 -2.299 1.00 0.00 C ATOM 1232 C ASN A 85 -6.555 17.342 -0.877 1.00 0.00 C ATOM 1233 O ASN A 85 -6.625 18.107 0.085 1.00 0.00 O ATOM 1234 CB ASN A 85 -5.468 18.409 -2.862 1.00 0.00 C ATOM 1235 CG ASN A 85 -4.990 19.633 -2.105 1.00 0.00 C ATOM 1236 OD1 ASN A 85 -5.793 20.416 -1.597 1.00 0.00 O ATOM 1237 ND2 ASN A 85 -3.675 19.804 -2.028 1.00 0.00 N ATOM 0 H ASN A 85 -7.493 19.797 -2.606 1.00 0.00 H new ATOM 0 HA ASN A 85 -7.102 17.014 -2.918 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -4.699 17.637 -2.822 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -5.608 18.666 -3.912 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -3.294 20.610 -1.533 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -3.047 19.129 -2.464 1.00 0.00 H new ATOM 1244 N PHE A 86 -6.287 16.046 -0.753 1.00 0.00 N ATOM 1245 CA PHE A 86 -6.055 15.435 0.551 1.00 0.00 C ATOM 1246 C PHE A 86 -4.894 14.448 0.490 1.00 0.00 C ATOM 1247 O PHE A 86 -4.778 13.668 -0.454 1.00 0.00 O ATOM 1248 CB PHE A 86 -7.320 14.723 1.036 1.00 0.00 C ATOM 1249 CG PHE A 86 -7.640 13.477 0.262 1.00 0.00 C ATOM 1250 CD1 PHE A 86 -6.814 12.367 0.337 1.00 0.00 C ATOM 1251 CD2 PHE A 86 -8.768 13.415 -0.540 1.00 0.00 C ATOM 1252 CE1 PHE A 86 -7.106 11.219 -0.375 1.00 0.00 C ATOM 1253 CE2 PHE A 86 -9.066 12.269 -1.255 1.00 0.00 C ATOM 1254 CZ PHE A 86 -8.234 11.170 -1.171 1.00 0.00 C ATOM 0 H PHE A 86 -6.225 15.399 -1.539 1.00 0.00 H new ATOM 0 HA PHE A 86 -5.799 16.227 1.255 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -7.202 14.467 2.089 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -8.163 15.410 0.968 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -5.932 12.399 0.959 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -9.422 14.272 -0.608 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -6.453 10.361 -0.309 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -9.948 12.234 -1.878 1.00 0.00 H new ATOM 0 HZ PHE A 86 -8.465 10.273 -1.727 1.00 0.00 H new ATOM 1264 N GLU A 87 -4.036 14.489 1.505 1.00 0.00 N ATOM 1265 CA GLU A 87 -2.882 13.599 1.566 1.00 0.00 C ATOM 1266 C GLU A 87 -2.800 12.908 2.924 1.00 0.00 C ATOM 1267 O GLU A 87 -2.501 13.540 3.936 1.00 0.00 O ATOM 1268 CB GLU A 87 -1.593 14.380 1.300 1.00 0.00 C ATOM 1269 CG GLU A 87 -0.410 13.497 0.941 1.00 0.00 C ATOM 1270 CD GLU A 87 0.798 14.295 0.490 1.00 0.00 C ATOM 1271 OE1 GLU A 87 0.772 14.820 -0.642 1.00 0.00 O ATOM 1272 OE2 GLU A 87 1.769 14.394 1.269 1.00 0.00 O ATOM 0 H GLU A 87 -4.118 15.128 2.295 1.00 0.00 H new ATOM 0 HA GLU A 87 -3.002 12.837 0.796 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -1.767 15.087 0.489 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -1.343 14.965 2.185 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -0.138 12.891 1.805 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -0.703 12.809 0.148 1.00 0.00 H new ATOM 1279 N GLU A 88 -3.068 11.606 2.935 1.00 0.00 N ATOM 1280 CA GLU A 88 -3.026 10.829 4.169 1.00 0.00 C ATOM 1281 C GLU A 88 -2.103 9.623 4.021 1.00 0.00 C ATOM 1282 O GLU A 88 -1.795 9.198 2.908 1.00 0.00 O ATOM 1283 CB GLU A 88 -4.432 10.364 4.553 1.00 0.00 C ATOM 1284 CG GLU A 88 -5.503 11.421 4.339 1.00 0.00 C ATOM 1285 CD GLU A 88 -6.188 11.293 2.993 1.00 0.00 C ATOM 1286 OE1 GLU A 88 -5.660 10.566 2.126 1.00 0.00 O ATOM 1287 OE2 GLU A 88 -7.251 11.921 2.806 1.00 0.00 O ATOM 0 H GLU A 88 -3.316 11.068 2.105 1.00 0.00 H new ATOM 0 HA GLU A 88 -2.635 11.470 4.959 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -4.685 9.479 3.969 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -4.433 10.065 5.601 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -6.248 11.343 5.131 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -5.053 12.410 4.421 1.00 0.00 H new ATOM 1294 N GLU A 89 -1.665 9.078 5.151 1.00 0.00 N ATOM 1295 CA GLU A 89 -0.775 7.922 5.147 1.00 0.00 C ATOM 1296 C GLU A 89 -1.183 6.918 6.221 1.00 0.00 C ATOM 1297 O GLU A 89 -1.274 7.257 7.402 1.00 0.00 O ATOM 1298 CB GLU A 89 0.673 8.364 5.370 1.00 0.00 C ATOM 1299 CG GLU A 89 1.115 9.489 4.449 1.00 0.00 C ATOM 1300 CD GLU A 89 2.273 10.286 5.015 1.00 0.00 C ATOM 1301 OE1 GLU A 89 2.285 10.526 6.241 1.00 0.00 O ATOM 1302 OE2 GLU A 89 3.168 10.671 4.234 1.00 0.00 O ATOM 0 H GLU A 89 -1.911 9.418 6.081 1.00 0.00 H new ATOM 0 HA GLU A 89 -0.854 7.439 4.173 1.00 0.00 H new ATOM 0 HB2 GLU A 89 0.790 8.686 6.405 1.00 0.00 H new ATOM 0 HB3 GLU A 89 1.332 7.508 5.226 1.00 0.00 H new ATOM 0 HG2 GLU A 89 1.404 9.071 3.484 1.00 0.00 H new ATOM 0 HG3 GLU A 89 0.273 10.157 4.268 1.00 0.00 H new ATOM 1309 N PHE A 90 -1.429 5.681 5.804 1.00 0.00 N ATOM 1310 CA PHE A 90 -1.829 4.627 6.729 1.00 0.00 C ATOM 1311 C PHE A 90 -0.662 3.687 7.019 1.00 0.00 C ATOM 1312 O PHE A 90 0.328 3.663 6.287 1.00 0.00 O ATOM 1313 CB PHE A 90 -3.005 3.835 6.155 1.00 0.00 C ATOM 1314 CG PHE A 90 -4.191 4.689 5.807 1.00 0.00 C ATOM 1315 CD1 PHE A 90 -4.246 5.362 4.597 1.00 0.00 C ATOM 1316 CD2 PHE A 90 -5.250 4.820 6.691 1.00 0.00 C ATOM 1317 CE1 PHE A 90 -5.335 6.149 4.274 1.00 0.00 C ATOM 1318 CE2 PHE A 90 -6.342 5.605 6.374 1.00 0.00 C ATOM 1319 CZ PHE A 90 -6.384 6.272 5.164 1.00 0.00 C ATOM 0 H PHE A 90 -1.358 5.383 4.831 1.00 0.00 H new ATOM 0 HA PHE A 90 -2.137 5.096 7.664 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -2.674 3.305 5.262 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -3.311 3.079 6.878 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -3.428 5.270 3.898 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -5.222 4.303 7.639 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -5.366 6.667 3.327 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -7.162 5.697 7.071 1.00 0.00 H new ATOM 0 HZ PHE A 90 -7.235 6.888 4.915 1.00 0.00 H new ATOM 1329 N LEU A 91 -0.786 2.915 8.093 1.00 0.00 N ATOM 1330 CA LEU A 91 0.257 1.973 8.483 1.00 0.00 C ATOM 1331 C LEU A 91 -0.316 0.572 8.671 1.00 0.00 C ATOM 1332 O LEU A 91 -1.501 0.409 8.964 1.00 0.00 O ATOM 1333 CB LEU A 91 0.934 2.437 9.774 1.00 0.00 C ATOM 1334 CG LEU A 91 1.648 3.788 9.710 1.00 0.00 C ATOM 1335 CD1 LEU A 91 2.341 4.088 11.030 1.00 0.00 C ATOM 1336 CD2 LEU A 91 2.649 3.808 8.564 1.00 0.00 C ATOM 0 H LEU A 91 -1.599 2.923 8.709 1.00 0.00 H new ATOM 0 HA LEU A 91 0.997 1.938 7.684 1.00 0.00 H new ATOM 0 HB2 LEU A 91 0.180 2.484 10.559 1.00 0.00 H new ATOM 0 HB3 LEU A 91 1.659 1.680 10.073 1.00 0.00 H new ATOM 0 HG LEU A 91 0.903 4.563 9.529 1.00 0.00 H new ATOM 0 HD11 LEU A 91 2.844 5.053 10.966 1.00 0.00 H new ATOM 0 HD12 LEU A 91 1.602 4.116 11.831 1.00 0.00 H new ATOM 0 HD13 LEU A 91 3.075 3.310 11.241 1.00 0.00 H new ATOM 0 HD21 LEU A 91 3.148 4.777 8.533 1.00 0.00 H new ATOM 0 HD22 LEU A 91 3.390 3.023 8.714 1.00 0.00 H new ATOM 0 HD23 LEU A 91 2.127 3.639 7.622 1.00 0.00 H new ATOM 1348 N VAL A 92 0.533 -0.437 8.503 1.00 0.00 N ATOM 1349 CA VAL A 92 0.112 -1.824 8.657 1.00 0.00 C ATOM 1350 C VAL A 92 0.960 -2.543 9.700 1.00 0.00 C ATOM 1351 O VAL A 92 2.151 -2.775 9.494 1.00 0.00 O ATOM 1352 CB VAL A 92 0.200 -2.589 7.323 1.00 0.00 C ATOM 1353 CG1 VAL A 92 -0.263 -4.027 7.500 1.00 0.00 C ATOM 1354 CG2 VAL A 92 -0.617 -1.885 6.251 1.00 0.00 C ATOM 0 H VAL A 92 1.517 -0.319 8.260 1.00 0.00 H new ATOM 0 HA VAL A 92 -0.926 -1.805 8.988 1.00 0.00 H new ATOM 0 HB VAL A 92 1.241 -2.605 7.002 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -0.194 -4.551 6.547 1.00 0.00 H new ATOM 0 HG12 VAL A 92 0.369 -4.525 8.235 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -1.297 -4.036 7.845 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -0.544 -2.439 5.315 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -1.660 -1.836 6.563 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -0.233 -0.875 6.106 1.00 0.00 H new ATOM 1364 N ASN A 93 0.338 -2.894 10.821 1.00 0.00 N ATOM 1365 CA ASN A 93 1.037 -3.587 11.897 1.00 0.00 C ATOM 1366 C ASN A 93 1.319 -5.038 11.517 1.00 0.00 C ATOM 1367 O ASN A 93 0.494 -5.696 10.883 1.00 0.00 O ATOM 1368 CB ASN A 93 0.211 -3.537 13.184 1.00 0.00 C ATOM 1369 CG ASN A 93 -0.468 -2.196 13.384 1.00 0.00 C ATOM 1370 OD1 ASN A 93 0.107 -1.278 13.970 1.00 0.00 O ATOM 1371 ND2 ASN A 93 -1.697 -2.076 12.897 1.00 0.00 N ATOM 0 H ASN A 93 -0.648 -2.710 11.008 1.00 0.00 H new ATOM 0 HA ASN A 93 1.989 -3.082 12.063 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -0.544 -4.323 13.159 1.00 0.00 H new ATOM 0 HB3 ASN A 93 0.858 -3.744 14.036 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -2.203 -1.197 13.001 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -2.135 -2.863 12.418 1.00 0.00 H new ATOM 1378 N VAL A 94 2.490 -5.529 11.910 1.00 0.00 N ATOM 1379 CA VAL A 94 2.881 -6.902 11.612 1.00 0.00 C ATOM 1380 C VAL A 94 3.524 -7.566 12.824 1.00 0.00 C ATOM 1381 O VAL A 94 4.626 -7.202 13.232 1.00 0.00 O ATOM 1382 CB VAL A 94 3.863 -6.961 10.427 1.00 0.00 C ATOM 1383 CG1 VAL A 94 4.282 -8.398 10.152 1.00 0.00 C ATOM 1384 CG2 VAL A 94 3.242 -6.332 9.189 1.00 0.00 C ATOM 0 H VAL A 94 3.184 -4.997 12.435 1.00 0.00 H new ATOM 0 HA VAL A 94 1.971 -7.440 11.347 1.00 0.00 H new ATOM 0 HB VAL A 94 4.755 -6.391 10.688 1.00 0.00 H new ATOM 0 HG11 VAL A 94 4.976 -8.420 9.312 1.00 0.00 H new ATOM 0 HG12 VAL A 94 4.769 -8.810 11.036 1.00 0.00 H new ATOM 0 HG13 VAL A 94 3.402 -8.994 9.912 1.00 0.00 H new ATOM 0 HG21 VAL A 94 3.950 -6.382 8.361 1.00 0.00 H new ATOM 0 HG22 VAL A 94 2.334 -6.872 8.923 1.00 0.00 H new ATOM 0 HG23 VAL A 94 2.997 -5.290 9.394 1.00 0.00 H new ATOM 1394 N ASN A 95 2.827 -8.542 13.397 1.00 0.00 N ATOM 1395 CA ASN A 95 3.330 -9.257 14.564 1.00 0.00 C ATOM 1396 C ASN A 95 4.769 -9.713 14.344 1.00 0.00 C ATOM 1397 O ASN A 95 5.019 -10.719 13.681 1.00 0.00 O ATOM 1398 CB ASN A 95 2.442 -10.465 14.870 1.00 0.00 C ATOM 1399 CG ASN A 95 3.006 -11.332 15.978 1.00 0.00 C ATOM 1400 OD1 ASN A 95 3.233 -10.863 17.094 1.00 0.00 O ATOM 1401 ND2 ASN A 95 3.237 -12.604 15.675 1.00 0.00 N ATOM 0 H ASN A 95 1.912 -8.856 13.072 1.00 0.00 H new ATOM 0 HA ASN A 95 3.309 -8.575 15.414 1.00 0.00 H new ATOM 0 HB2 ASN A 95 1.448 -10.119 15.154 1.00 0.00 H new ATOM 0 HB3 ASN A 95 2.325 -11.065 13.967 1.00 0.00 H new ATOM 0 HD21 ASN A 95 3.618 -13.235 16.380 1.00 0.00 H new ATOM 0 HD22 ASN A 95 3.034 -12.950 14.737 1.00 0.00 H new ATOM 1408 N GLY A 96 5.713 -8.965 14.906 1.00 0.00 N ATOM 1409 CA GLY A 96 7.116 -9.307 14.761 1.00 0.00 C ATOM 1410 C GLY A 96 7.793 -8.522 13.656 1.00 0.00 C ATOM 1411 O GLY A 96 8.549 -9.081 12.861 1.00 0.00 O ATOM 0 H GLY A 96 5.531 -8.128 15.460 1.00 0.00 H new ATOM 0 HA2 GLY A 96 7.631 -9.120 15.703 1.00 0.00 H new ATOM 0 HA3 GLY A 96 7.207 -10.373 14.553 1.00 0.00 H new ATOM 1415 N SER A 97 7.521 -7.222 13.603 1.00 0.00 N ATOM 1416 CA SER A 97 8.105 -6.360 12.582 1.00 0.00 C ATOM 1417 C SER A 97 8.649 -5.076 13.202 1.00 0.00 C ATOM 1418 O SER A 97 8.084 -4.526 14.148 1.00 0.00 O ATOM 1419 CB SER A 97 7.064 -6.022 11.513 1.00 0.00 C ATOM 1420 OG SER A 97 7.605 -5.154 10.532 1.00 0.00 O ATOM 0 H SER A 97 6.900 -6.743 14.255 1.00 0.00 H new ATOM 0 HA SER A 97 8.931 -6.897 12.117 1.00 0.00 H new ATOM 0 HB2 SER A 97 6.714 -6.939 11.039 1.00 0.00 H new ATOM 0 HB3 SER A 97 6.197 -5.554 11.980 1.00 0.00 H new ATOM 0 HG SER A 97 7.170 -4.278 10.595 1.00 0.00 H new ATOM 1426 N PRO A 98 9.773 -4.587 12.658 1.00 0.00 N ATOM 1427 CA PRO A 98 10.418 -3.362 13.140 1.00 0.00 C ATOM 1428 C PRO A 98 9.603 -2.113 12.822 1.00 0.00 C ATOM 1429 O PRO A 98 9.339 -1.294 13.701 1.00 0.00 O ATOM 1430 CB PRO A 98 11.748 -3.340 12.383 1.00 0.00 C ATOM 1431 CG PRO A 98 11.492 -4.129 11.145 1.00 0.00 C ATOM 1432 CD PRO A 98 10.499 -5.191 11.528 1.00 0.00 C ATOM 0 HA PRO A 98 10.529 -3.360 14.224 1.00 0.00 H new ATOM 0 HB2 PRO A 98 12.052 -2.320 12.147 1.00 0.00 H new ATOM 0 HB3 PRO A 98 12.548 -3.782 12.976 1.00 0.00 H new ATOM 0 HG2 PRO A 98 11.097 -3.494 10.352 1.00 0.00 H new ATOM 0 HG3 PRO A 98 12.413 -4.574 10.768 1.00 0.00 H new ATOM 0 HD2 PRO A 98 9.829 -5.431 10.702 1.00 0.00 H new ATOM 0 HD3 PRO A 98 10.994 -6.118 11.818 1.00 0.00 H new ATOM 1440 N GLU A 99 9.209 -1.975 11.560 1.00 0.00 N ATOM 1441 CA GLU A 99 8.424 -0.825 11.127 1.00 0.00 C ATOM 1442 C GLU A 99 7.230 -1.266 10.286 1.00 0.00 C ATOM 1443 O GLU A 99 7.310 -2.204 9.493 1.00 0.00 O ATOM 1444 CB GLU A 99 9.297 0.143 10.326 1.00 0.00 C ATOM 1445 CG GLU A 99 8.512 1.262 9.661 1.00 0.00 C ATOM 1446 CD GLU A 99 9.159 1.744 8.377 1.00 0.00 C ATOM 1447 OE1 GLU A 99 9.205 0.961 7.405 1.00 0.00 O ATOM 1448 OE2 GLU A 99 9.619 2.905 8.343 1.00 0.00 O ATOM 0 H GLU A 99 9.420 -2.645 10.820 1.00 0.00 H new ATOM 0 HA GLU A 99 8.051 -0.316 12.016 1.00 0.00 H new ATOM 0 HB2 GLU A 99 10.044 0.579 10.989 1.00 0.00 H new ATOM 0 HB3 GLU A 99 9.837 -0.415 9.561 1.00 0.00 H new ATOM 0 HG2 GLU A 99 7.502 0.914 9.446 1.00 0.00 H new ATOM 0 HG3 GLU A 99 8.421 2.098 10.354 1.00 0.00 H new ATOM 1455 N PRO A 100 6.094 -0.575 10.463 1.00 0.00 N ATOM 1456 CA PRO A 100 4.861 -0.877 9.729 1.00 0.00 C ATOM 1457 C PRO A 100 4.964 -0.519 8.251 1.00 0.00 C ATOM 1458 O PRO A 100 5.803 0.289 7.854 1.00 0.00 O ATOM 1459 CB PRO A 100 3.814 0.000 10.420 1.00 0.00 C ATOM 1460 CG PRO A 100 4.591 1.129 11.005 1.00 0.00 C ATOM 1461 CD PRO A 100 5.926 0.555 11.392 1.00 0.00 C ATOM 0 HA PRO A 100 4.625 -1.941 9.748 1.00 0.00 H new ATOM 0 HB2 PRO A 100 3.068 0.359 9.711 1.00 0.00 H new ATOM 0 HB3 PRO A 100 3.280 -0.555 11.192 1.00 0.00 H new ATOM 0 HG2 PRO A 100 4.708 1.938 10.283 1.00 0.00 H new ATOM 0 HG3 PRO A 100 4.080 1.547 11.872 1.00 0.00 H new ATOM 0 HD2 PRO A 100 6.725 1.288 11.282 1.00 0.00 H new ATOM 0 HD3 PRO A 100 5.936 0.226 12.431 1.00 0.00 H new ATOM 1469 N VAL A 101 4.104 -1.127 7.439 1.00 0.00 N ATOM 1470 CA VAL A 101 4.098 -0.871 6.003 1.00 0.00 C ATOM 1471 C VAL A 101 3.497 0.495 5.691 1.00 0.00 C ATOM 1472 O VAL A 101 2.277 0.649 5.625 1.00 0.00 O ATOM 1473 CB VAL A 101 3.307 -1.953 5.244 1.00 0.00 C ATOM 1474 CG1 VAL A 101 3.545 -1.837 3.746 1.00 0.00 C ATOM 1475 CG2 VAL A 101 3.683 -3.338 5.747 1.00 0.00 C ATOM 0 H VAL A 101 3.403 -1.799 7.751 1.00 0.00 H new ATOM 0 HA VAL A 101 5.137 -0.892 5.673 1.00 0.00 H new ATOM 0 HB VAL A 101 2.244 -1.800 5.431 1.00 0.00 H new ATOM 0 HG11 VAL A 101 2.978 -2.610 3.227 1.00 0.00 H new ATOM 0 HG12 VAL A 101 3.221 -0.855 3.401 1.00 0.00 H new ATOM 0 HG13 VAL A 101 4.607 -1.963 3.535 1.00 0.00 H new ATOM 0 HG21 VAL A 101 3.115 -4.090 5.200 1.00 0.00 H new ATOM 0 HG22 VAL A 101 4.749 -3.504 5.592 1.00 0.00 H new ATOM 0 HG23 VAL A 101 3.455 -3.413 6.810 1.00 0.00 H new ATOM 1485 N LYS A 102 4.362 1.486 5.499 1.00 0.00 N ATOM 1486 CA LYS A 102 3.918 2.840 5.192 1.00 0.00 C ATOM 1487 C LYS A 102 3.175 2.880 3.861 1.00 0.00 C ATOM 1488 O LYS A 102 3.662 2.372 2.850 1.00 0.00 O ATOM 1489 CB LYS A 102 5.115 3.793 5.149 1.00 0.00 C ATOM 1490 CG LYS A 102 4.728 5.248 4.947 1.00 0.00 C ATOM 1491 CD LYS A 102 4.464 5.943 6.272 1.00 0.00 C ATOM 1492 CE LYS A 102 5.738 6.540 6.851 1.00 0.00 C ATOM 1493 NZ LYS A 102 6.693 5.487 7.293 1.00 0.00 N ATOM 0 H LYS A 102 5.375 1.376 5.551 1.00 0.00 H new ATOM 0 HA LYS A 102 3.235 3.159 5.979 1.00 0.00 H new ATOM 0 HB2 LYS A 102 5.676 3.701 6.079 1.00 0.00 H new ATOM 0 HB3 LYS A 102 5.783 3.488 4.343 1.00 0.00 H new ATOM 0 HG2 LYS A 102 5.525 5.767 4.415 1.00 0.00 H new ATOM 0 HG3 LYS A 102 3.837 5.305 4.321 1.00 0.00 H new ATOM 0 HD2 LYS A 102 3.724 6.730 6.130 1.00 0.00 H new ATOM 0 HD3 LYS A 102 4.040 5.231 6.980 1.00 0.00 H new ATOM 0 HE2 LYS A 102 6.216 7.172 6.102 1.00 0.00 H new ATOM 0 HE3 LYS A 102 5.487 7.181 7.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 7.440 5.918 7.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 6.187 4.772 7.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 7.121 5.034 6.460 1.00 0.00 H new ATOM 1507 N LEU A 103 1.994 3.489 3.866 1.00 0.00 N ATOM 1508 CA LEU A 103 1.183 3.597 2.658 1.00 0.00 C ATOM 1509 C LEU A 103 0.708 5.031 2.448 1.00 0.00 C ATOM 1510 O LEU A 103 0.256 5.691 3.385 1.00 0.00 O ATOM 1511 CB LEU A 103 -0.020 2.656 2.742 1.00 0.00 C ATOM 1512 CG LEU A 103 -0.885 2.560 1.485 1.00 0.00 C ATOM 1513 CD1 LEU A 103 -0.039 2.172 0.282 1.00 0.00 C ATOM 1514 CD2 LEU A 103 -2.014 1.561 1.690 1.00 0.00 C ATOM 0 H LEU A 103 1.577 3.916 4.693 1.00 0.00 H new ATOM 0 HA LEU A 103 1.802 3.311 1.808 1.00 0.00 H new ATOM 0 HB2 LEU A 103 0.341 1.657 2.987 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -0.651 2.979 3.570 1.00 0.00 H new ATOM 0 HG LEU A 103 -1.323 3.539 1.293 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -0.672 2.109 -0.603 1.00 0.00 H new ATOM 0 HD12 LEU A 103 0.733 2.924 0.122 1.00 0.00 H new ATOM 0 HD13 LEU A 103 0.429 1.204 0.463 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -2.620 1.506 0.785 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -1.595 0.578 1.907 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -2.637 1.882 2.525 1.00 0.00 H new ATOM 1526 N THR A 104 0.811 5.509 1.212 1.00 0.00 N ATOM 1527 CA THR A 104 0.391 6.864 0.878 1.00 0.00 C ATOM 1528 C THR A 104 -0.706 6.854 -0.180 1.00 0.00 C ATOM 1529 O THR A 104 -0.560 6.234 -1.234 1.00 0.00 O ATOM 1530 CB THR A 104 1.573 7.709 0.367 1.00 0.00 C ATOM 1531 OG1 THR A 104 2.707 7.534 1.224 1.00 0.00 O ATOM 1532 CG2 THR A 104 1.200 9.182 0.307 1.00 0.00 C ATOM 0 H THR A 104 1.182 4.977 0.425 1.00 0.00 H new ATOM 0 HA THR A 104 0.005 7.310 1.795 1.00 0.00 H new ATOM 0 HB THR A 104 1.823 7.373 -0.639 1.00 0.00 H new ATOM 0 HG1 THR A 104 3.455 8.073 0.891 1.00 0.00 H new ATOM 0 HG21 THR A 104 2.051 9.758 -0.057 1.00 0.00 H new ATOM 0 HG22 THR A 104 0.355 9.316 -0.369 1.00 0.00 H new ATOM 0 HG23 THR A 104 0.926 9.529 1.303 1.00 0.00 H new ATOM 1540 N ILE A 105 -1.804 7.545 0.107 1.00 0.00 N ATOM 1541 CA ILE A 105 -2.926 7.617 -0.821 1.00 0.00 C ATOM 1542 C ILE A 105 -3.270 9.065 -1.157 1.00 0.00 C ATOM 1543 O ILE A 105 -3.677 9.834 -0.286 1.00 0.00 O ATOM 1544 CB ILE A 105 -4.176 6.924 -0.249 1.00 0.00 C ATOM 1545 CG1 ILE A 105 -3.866 5.465 0.092 1.00 0.00 C ATOM 1546 CG2 ILE A 105 -5.328 7.009 -1.239 1.00 0.00 C ATOM 1547 CD1 ILE A 105 -4.960 4.783 0.882 1.00 0.00 C ATOM 0 H ILE A 105 -1.941 8.063 0.975 1.00 0.00 H new ATOM 0 HA ILE A 105 -2.617 7.099 -1.729 1.00 0.00 H new ATOM 0 HB ILE A 105 -4.471 7.437 0.667 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -3.698 4.912 -0.832 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -2.938 5.423 0.662 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -6.205 6.515 -0.820 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -5.561 8.055 -1.437 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -5.045 6.518 -2.170 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -4.672 3.752 1.088 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -5.113 5.312 1.823 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -5.885 4.793 0.306 1.00 0.00 H new ATOM 1559 N ARG A 106 -3.105 9.428 -2.425 1.00 0.00 N ATOM 1560 CA ARG A 106 -3.398 10.782 -2.876 1.00 0.00 C ATOM 1561 C ARG A 106 -4.637 10.802 -3.767 1.00 0.00 C ATOM 1562 O ARG A 106 -4.771 9.988 -4.679 1.00 0.00 O ATOM 1563 CB ARG A 106 -2.202 11.361 -3.634 1.00 0.00 C ATOM 1564 CG ARG A 106 -1.968 10.712 -4.989 1.00 0.00 C ATOM 1565 CD ARG A 106 -0.575 11.013 -5.517 1.00 0.00 C ATOM 1566 NE ARG A 106 -0.446 12.398 -5.964 1.00 0.00 N ATOM 1567 CZ ARG A 106 0.470 12.807 -6.834 1.00 0.00 C ATOM 1568 NH1 ARG A 106 1.333 11.943 -7.349 1.00 0.00 N ATOM 1569 NH2 ARG A 106 0.524 14.084 -7.191 1.00 0.00 N ATOM 0 H ARG A 106 -2.770 8.803 -3.158 1.00 0.00 H new ATOM 0 HA ARG A 106 -3.593 11.396 -1.997 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -2.355 12.431 -3.775 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -1.306 11.245 -3.025 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -2.101 9.633 -4.905 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -2.713 11.071 -5.699 1.00 0.00 H new ATOM 0 HD2 ARG A 106 0.159 10.814 -4.736 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -0.349 10.342 -6.346 1.00 0.00 H new ATOM 0 HE ARG A 106 -1.095 13.089 -5.587 1.00 0.00 H new ATOM 0 HH11 ARG A 106 1.295 10.961 -7.077 1.00 0.00 H new ATOM 0 HH12 ARG A 106 2.035 12.260 -8.017 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -0.138 14.752 -6.797 1.00 0.00 H new ATOM 0 HH22 ARG A 106 1.228 14.397 -7.859 1.00 0.00 H new ATOM 1583 N GLY A 107 -5.541 11.739 -3.494 1.00 0.00 N ATOM 1584 CA GLY A 107 -6.757 11.847 -4.279 1.00 0.00 C ATOM 1585 C GLY A 107 -7.294 13.264 -4.324 1.00 0.00 C ATOM 1586 O GLY A 107 -6.881 14.116 -3.537 1.00 0.00 O ATOM 0 H GLY A 107 -5.453 12.424 -2.744 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -6.562 11.503 -5.295 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -7.516 11.187 -3.860 1.00 0.00 H new ATOM 1590 N CYS A 108 -8.215 13.516 -5.247 1.00 0.00 N ATOM 1591 CA CYS A 108 -8.807 14.841 -5.394 1.00 0.00 C ATOM 1592 C CYS A 108 -10.330 14.755 -5.427 1.00 0.00 C ATOM 1593 O CYS A 108 -10.912 14.227 -6.374 1.00 0.00 O ATOM 1594 CB CYS A 108 -8.295 15.514 -6.668 1.00 0.00 C ATOM 1595 SG CYS A 108 -6.527 15.891 -6.643 1.00 0.00 S ATOM 0 H CYS A 108 -8.568 12.821 -5.905 1.00 0.00 H new ATOM 0 HA CYS A 108 -8.513 15.440 -4.532 1.00 0.00 H new ATOM 0 HB2 CYS A 108 -8.505 14.866 -7.519 1.00 0.00 H new ATOM 0 HB3 CYS A 108 -8.851 16.438 -6.827 1.00 0.00 H new ATOM 0 HG CYS A 108 -6.188 16.456 -7.764 1.00 0.00 H new ATOM 1601 N VAL A 109 -10.969 15.277 -4.385 1.00 0.00 N ATOM 1602 CA VAL A 109 -12.425 15.259 -4.293 1.00 0.00 C ATOM 1603 C VAL A 109 -13.035 16.453 -5.019 1.00 0.00 C ATOM 1604 O VAL A 109 -12.785 17.604 -4.660 1.00 0.00 O ATOM 1605 CB VAL A 109 -12.895 15.267 -2.827 1.00 0.00 C ATOM 1606 CG1 VAL A 109 -14.414 15.241 -2.753 1.00 0.00 C ATOM 1607 CG2 VAL A 109 -12.296 14.092 -2.069 1.00 0.00 C ATOM 0 H VAL A 109 -10.502 15.718 -3.593 1.00 0.00 H new ATOM 0 HA VAL A 109 -12.762 14.338 -4.768 1.00 0.00 H new ATOM 0 HB VAL A 109 -12.548 16.187 -2.358 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -14.728 15.247 -1.709 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -14.818 16.118 -3.258 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -14.787 14.339 -3.239 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -12.639 14.113 -1.035 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -12.611 13.159 -2.536 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -11.208 14.160 -2.092 1.00 0.00 H new ATOM 1617 N ILE A 110 -13.838 16.171 -6.039 1.00 0.00 N ATOM 1618 CA ILE A 110 -14.486 17.222 -6.814 1.00 0.00 C ATOM 1619 C ILE A 110 -15.991 16.991 -6.902 1.00 0.00 C ATOM 1620 O ILE A 110 -16.475 15.886 -6.663 1.00 0.00 O ATOM 1621 CB ILE A 110 -13.908 17.310 -8.238 1.00 0.00 C ATOM 1622 CG1 ILE A 110 -14.167 16.008 -8.999 1.00 0.00 C ATOM 1623 CG2 ILE A 110 -12.417 17.611 -8.187 1.00 0.00 C ATOM 1624 CD1 ILE A 110 -13.310 14.853 -8.530 1.00 0.00 C ATOM 0 H ILE A 110 -14.056 15.224 -6.348 1.00 0.00 H new ATOM 0 HA ILE A 110 -14.294 18.161 -6.295 1.00 0.00 H new ATOM 0 HB ILE A 110 -14.406 18.123 -8.766 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -15.217 15.737 -8.892 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -13.987 16.175 -10.061 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -12.023 17.670 -9.202 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -12.255 18.562 -7.679 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -11.904 16.817 -7.644 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -13.547 13.963 -9.113 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -12.258 15.104 -8.662 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -13.507 14.659 -7.476 1.00 0.00 H new ATOM 1636 N GLY A 111 -16.727 18.043 -7.248 1.00 0.00 N ATOM 1637 CA GLY A 111 -18.169 17.935 -7.364 1.00 0.00 C ATOM 1638 C GLY A 111 -18.702 18.600 -8.617 1.00 0.00 C ATOM 1639 O GLY A 111 -17.959 18.894 -9.554 1.00 0.00 O ATOM 0 H GLY A 111 -16.349 18.969 -7.450 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -18.452 16.882 -7.367 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -18.636 18.388 -6.489 1.00 0.00 H new ATOM 1643 N PRO A 112 -20.020 18.847 -8.645 1.00 0.00 N ATOM 1644 CA PRO A 112 -20.682 19.483 -9.788 1.00 0.00 C ATOM 1645 C PRO A 112 -20.304 20.954 -9.931 1.00 0.00 C ATOM 1646 O PRO A 112 -19.626 21.341 -10.883 1.00 0.00 O ATOM 1647 CB PRO A 112 -22.170 19.343 -9.460 1.00 0.00 C ATOM 1648 CG PRO A 112 -22.222 19.241 -7.975 1.00 0.00 C ATOM 1649 CD PRO A 112 -20.966 18.524 -7.564 1.00 0.00 C ATOM 0 HA PRO A 112 -20.395 19.022 -10.733 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -22.737 20.202 -9.818 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -22.598 18.459 -9.933 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -22.274 20.229 -7.518 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -23.107 18.693 -7.652 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -20.604 18.871 -6.596 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -21.126 17.449 -7.478 1.00 0.00 H new TER 1657 PRO A 112