USER MOD reduce.3.24.130724 H: found=0, std=0, add=989, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 988 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 Single : A 1 VAL N :NH3+ -161:sc= -0.12 (180deg=-0.724) USER MOD Single : A 2 LYS NZ :NH3+ -117:sc= -0.262 (180deg=-0.39) USER MOD Single : A 5 CYS SG : rot 80:sc= -2.21 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 0:sc= 0.295 USER MOD Single : A 21 LYS NZ :NH3+ -135:sc= 1.57 (180deg=1) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 25:sc= -0.107 USER MOD Single : A 32 LYS NZ :NH3+ 168:sc= -0.0372 (180deg=-0.245) USER MOD Single : A 34 THR OG1 : rot -69:sc= 1.26 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 CYS SG : rot -68:sc= 0.428 USER MOD Single : A 44 LYS NZ :NH3+ -165:sc= -0.0184 (180deg=-0.22) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 ASN :FLIP amide:sc= -0.511 F(o=-1.1,f=-0.51) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= -0.549 X(o=-0.55,f=-0.079) USER MOD Single : A 79 LYS NZ :NH3+ -168:sc= 1.14 (180deg=0.917) USER MOD Single : A 83 ASN :FLIP amide:sc= -0.246 F(o=-1.2,f=-0.25) USER MOD Single : A 84 LYS NZ :NH3+ 179:sc= 1.24 (180deg=1.21) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot -170:sc= 0 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0.00243 USER MOD Single : A 96 MET CE :methyl -137:sc= -0.0098 (180deg=-2.27!) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 LYS NZ :NH3+ 136:sc= 2.26 (180deg=0.196!) USER MOD Single : A 115 THR OG1 : rot 180:sc= 0.736 USER MOD Single : A 122 ASN : amide:sc= -4.08! C(o=-4.1!,f=-9.8!) USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 5.474 15.046 -11.512 1.00 0.00 N ATOM 2 CA VAL A 1 5.391 15.377 -10.095 1.00 0.00 C ATOM 3 C VAL A 1 6.209 14.401 -9.252 1.00 0.00 C ATOM 4 O VAL A 1 6.237 13.200 -9.525 1.00 0.00 O ATOM 5 CB VAL A 1 3.925 15.372 -9.605 1.00 0.00 C ATOM 6 CG1 VAL A 1 3.833 15.902 -8.183 1.00 0.00 C ATOM 7 CG2 VAL A 1 3.045 16.191 -10.538 1.00 0.00 C ATOM 0 H1 VAL A 1 5.197 15.873 -12.078 1.00 0.00 H new ATOM 0 H2 VAL A 1 6.450 14.776 -11.749 1.00 0.00 H new ATOM 0 H3 VAL A 1 4.835 14.253 -11.721 1.00 0.00 H new ATOM 0 HA VAL A 1 5.801 16.380 -9.976 1.00 0.00 H new ATOM 0 HB VAL A 1 3.567 14.343 -9.611 1.00 0.00 H new ATOM 0 HG11 VAL A 1 2.793 15.890 -7.857 1.00 0.00 H new ATOM 0 HG12 VAL A 1 4.428 15.273 -7.521 1.00 0.00 H new ATOM 0 HG13 VAL A 1 4.212 16.923 -8.150 1.00 0.00 H new ATOM 0 HG21 VAL A 1 2.017 16.175 -10.176 1.00 0.00 H new ATOM 0 HG22 VAL A 1 3.404 17.220 -10.567 1.00 0.00 H new ATOM 0 HG23 VAL A 1 3.083 15.766 -11.541 1.00 0.00 H new ATOM 17 N LYS A 2 6.891 14.929 -8.248 1.00 0.00 N ATOM 18 CA LYS A 2 7.664 14.115 -7.326 1.00 0.00 C ATOM 19 C LYS A 2 7.159 14.337 -5.903 1.00 0.00 C ATOM 20 O LYS A 2 7.315 15.423 -5.344 1.00 0.00 O ATOM 21 CB LYS A 2 9.148 14.476 -7.427 1.00 0.00 C ATOM 22 CG LYS A 2 10.069 13.553 -6.643 1.00 0.00 C ATOM 23 CD LYS A 2 11.503 14.058 -6.657 1.00 0.00 C ATOM 24 CE LYS A 2 12.075 14.104 -8.065 1.00 0.00 C ATOM 25 NZ LYS A 2 12.288 12.745 -8.623 1.00 0.00 N ATOM 0 H LYS A 2 6.924 15.929 -8.051 1.00 0.00 H new ATOM 0 HA LYS A 2 7.545 13.063 -7.585 1.00 0.00 H new ATOM 0 HB2 LYS A 2 9.444 14.460 -8.476 1.00 0.00 H new ATOM 0 HB3 LYS A 2 9.287 15.497 -7.072 1.00 0.00 H new ATOM 0 HG2 LYS A 2 9.719 13.476 -5.614 1.00 0.00 H new ATOM 0 HG3 LYS A 2 10.030 12.550 -7.069 1.00 0.00 H new ATOM 0 HD2 LYS A 2 11.541 15.055 -6.217 1.00 0.00 H new ATOM 0 HD3 LYS A 2 12.122 13.411 -6.035 1.00 0.00 H new ATOM 0 HE2 LYS A 2 11.398 14.660 -8.713 1.00 0.00 H new ATOM 0 HE3 LYS A 2 13.022 14.644 -8.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 13.302 12.598 -8.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 11.950 12.034 -7.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 11.762 12.650 -9.515 1.00 0.00 H new ATOM 39 N PHE A 3 6.544 13.317 -5.328 1.00 0.00 N ATOM 40 CA PHE A 3 5.965 13.426 -3.994 1.00 0.00 C ATOM 41 C PHE A 3 6.964 12.983 -2.934 1.00 0.00 C ATOM 42 O PHE A 3 7.805 12.118 -3.184 1.00 0.00 O ATOM 43 CB PHE A 3 4.696 12.574 -3.878 1.00 0.00 C ATOM 44 CG PHE A 3 3.607 12.950 -4.845 1.00 0.00 C ATOM 45 CD1 PHE A 3 2.684 13.929 -4.517 1.00 0.00 C ATOM 46 CD2 PHE A 3 3.504 12.318 -6.076 1.00 0.00 C ATOM 47 CE1 PHE A 3 1.680 14.276 -5.400 1.00 0.00 C ATOM 48 CE2 PHE A 3 2.503 12.662 -6.962 1.00 0.00 C ATOM 49 CZ PHE A 3 1.589 13.640 -6.623 1.00 0.00 C ATOM 0 H PHE A 3 6.431 12.401 -5.763 1.00 0.00 H new ATOM 0 HA PHE A 3 5.709 14.473 -3.832 1.00 0.00 H new ATOM 0 HB2 PHE A 3 4.959 11.528 -4.034 1.00 0.00 H new ATOM 0 HB3 PHE A 3 4.309 12.657 -2.863 1.00 0.00 H new ATOM 0 HD1 PHE A 3 2.750 14.426 -3.561 1.00 0.00 H new ATOM 0 HD2 PHE A 3 4.214 11.549 -6.344 1.00 0.00 H new ATOM 0 HE1 PHE A 3 0.967 15.043 -5.135 1.00 0.00 H new ATOM 0 HE2 PHE A 3 2.435 12.167 -7.919 1.00 0.00 H new ATOM 0 HZ PHE A 3 0.803 13.908 -7.314 1.00 0.00 H new ATOM 59 N ALA A 4 6.861 13.575 -1.756 1.00 0.00 N ATOM 60 CA ALA A 4 7.701 13.202 -0.631 1.00 0.00 C ATOM 61 C ALA A 4 6.872 12.453 0.407 1.00 0.00 C ATOM 62 O ALA A 4 5.914 12.996 0.953 1.00 0.00 O ATOM 63 CB ALA A 4 8.349 14.432 -0.016 1.00 0.00 C ATOM 0 H ALA A 4 6.197 14.323 -1.553 1.00 0.00 H new ATOM 0 HA ALA A 4 8.495 12.546 -0.986 1.00 0.00 H new ATOM 0 HB1 ALA A 4 8.974 14.132 0.825 1.00 0.00 H new ATOM 0 HB2 ALA A 4 8.963 14.932 -0.765 1.00 0.00 H new ATOM 0 HB3 ALA A 4 7.575 15.115 0.333 1.00 0.00 H new ATOM 69 N CYS A 5 7.227 11.203 0.653 1.00 0.00 N ATOM 70 CA CYS A 5 6.488 10.368 1.583 1.00 0.00 C ATOM 71 C CYS A 5 7.380 9.893 2.725 1.00 0.00 C ATOM 72 O CYS A 5 8.600 10.061 2.681 1.00 0.00 O ATOM 73 CB CYS A 5 5.925 9.167 0.828 1.00 0.00 C ATOM 74 SG CYS A 5 7.130 8.376 -0.265 1.00 0.00 S ATOM 0 H CYS A 5 8.027 10.743 0.219 1.00 0.00 H new ATOM 0 HA CYS A 5 5.677 10.954 2.015 1.00 0.00 H new ATOM 0 HB2 CYS A 5 5.561 8.433 1.547 1.00 0.00 H new ATOM 0 HB3 CYS A 5 5.066 9.488 0.238 1.00 0.00 H new ATOM 0 HG CYS A 5 7.908 7.604 0.434 1.00 0.00 H new ATOM 80 N ARG A 6 6.767 9.312 3.748 1.00 0.00 N ATOM 81 CA ARG A 6 7.515 8.729 4.852 1.00 0.00 C ATOM 82 C ARG A 6 7.713 7.241 4.598 1.00 0.00 C ATOM 83 O ARG A 6 6.755 6.521 4.311 1.00 0.00 O ATOM 84 CB ARG A 6 6.795 8.952 6.188 1.00 0.00 C ATOM 85 CG ARG A 6 7.556 8.395 7.382 1.00 0.00 C ATOM 86 CD ARG A 6 6.916 8.796 8.704 1.00 0.00 C ATOM 87 NE ARG A 6 5.595 8.196 8.902 1.00 0.00 N ATOM 88 CZ ARG A 6 4.961 8.168 10.075 1.00 0.00 C ATOM 89 NH1 ARG A 6 5.515 8.726 11.143 1.00 0.00 N ATOM 90 NH2 ARG A 6 3.770 7.590 10.177 1.00 0.00 N ATOM 0 H ARG A 6 5.754 9.232 3.835 1.00 0.00 H new ATOM 0 HA ARG A 6 8.486 9.220 4.914 1.00 0.00 H new ATOM 0 HB2 ARG A 6 6.636 10.021 6.333 1.00 0.00 H new ATOM 0 HB3 ARG A 6 5.810 8.487 6.144 1.00 0.00 H new ATOM 0 HG2 ARG A 6 7.594 7.308 7.313 1.00 0.00 H new ATOM 0 HG3 ARG A 6 8.585 8.752 7.354 1.00 0.00 H new ATOM 0 HD2 ARG A 6 7.571 8.500 9.524 1.00 0.00 H new ATOM 0 HD3 ARG A 6 6.826 9.882 8.744 1.00 0.00 H new ATOM 0 HE ARG A 6 5.133 7.775 8.096 1.00 0.00 H new ATOM 0 HH11 ARG A 6 6.427 9.177 11.068 1.00 0.00 H new ATOM 0 HH12 ARG A 6 5.029 8.704 12.040 1.00 0.00 H new ATOM 0 HH21 ARG A 6 3.337 7.166 9.357 1.00 0.00 H new ATOM 0 HH22 ARG A 6 3.288 7.570 11.076 1.00 0.00 H new ATOM 104 N ALA A 7 8.952 6.787 4.691 1.00 0.00 N ATOM 105 CA ALA A 7 9.284 5.411 4.363 1.00 0.00 C ATOM 106 C ALA A 7 9.294 4.531 5.602 1.00 0.00 C ATOM 107 O ALA A 7 9.940 4.850 6.601 1.00 0.00 O ATOM 108 CB ALA A 7 10.628 5.348 3.654 1.00 0.00 C ATOM 0 H ALA A 7 9.746 7.353 4.992 1.00 0.00 H new ATOM 0 HA ALA A 7 8.513 5.031 3.693 1.00 0.00 H new ATOM 0 HB1 ALA A 7 10.865 4.311 3.414 1.00 0.00 H new ATOM 0 HB2 ALA A 7 10.582 5.932 2.735 1.00 0.00 H new ATOM 0 HB3 ALA A 7 11.402 5.756 4.304 1.00 0.00 H new ATOM 114 N ILE A 8 8.559 3.432 5.535 1.00 0.00 N ATOM 115 CA ILE A 8 8.523 2.464 6.621 1.00 0.00 C ATOM 116 C ILE A 8 9.413 1.278 6.276 1.00 0.00 C ATOM 117 O ILE A 8 10.334 0.934 7.023 1.00 0.00 O ATOM 118 CB ILE A 8 7.084 1.971 6.897 1.00 0.00 C ATOM 119 CG1 ILE A 8 6.157 3.155 7.209 1.00 0.00 C ATOM 120 CG2 ILE A 8 7.067 0.966 8.043 1.00 0.00 C ATOM 121 CD1 ILE A 8 6.557 3.948 8.439 1.00 0.00 C ATOM 0 H ILE A 8 7.976 3.187 4.735 1.00 0.00 H new ATOM 0 HA ILE A 8 8.888 2.955 7.523 1.00 0.00 H new ATOM 0 HB ILE A 8 6.718 1.473 5.999 1.00 0.00 H new ATOM 0 HG12 ILE A 8 6.138 3.824 6.349 1.00 0.00 H new ATOM 0 HG13 ILE A 8 5.142 2.782 7.345 1.00 0.00 H new ATOM 0 HG21 ILE A 8 6.044 0.633 8.220 1.00 0.00 H new ATOM 0 HG22 ILE A 8 7.688 0.109 7.784 1.00 0.00 H new ATOM 0 HG23 ILE A 8 7.456 1.437 8.946 1.00 0.00 H new ATOM 0 HD11 ILE A 8 5.852 4.766 8.590 1.00 0.00 H new ATOM 0 HD12 ILE A 8 6.548 3.295 9.312 1.00 0.00 H new ATOM 0 HD13 ILE A 8 7.559 4.354 8.300 1.00 0.00 H new ATOM 133 N THR A 9 9.136 0.664 5.133 1.00 0.00 N ATOM 134 CA THR A 9 9.969 -0.408 4.615 1.00 0.00 C ATOM 135 C THR A 9 10.969 0.178 3.619 1.00 0.00 C ATOM 136 O THR A 9 10.885 1.361 3.289 1.00 0.00 O ATOM 137 CB THR A 9 9.111 -1.485 3.923 1.00 0.00 C ATOM 138 OG1 THR A 9 7.814 -1.528 4.520 1.00 0.00 O ATOM 139 CG2 THR A 9 9.753 -2.861 4.035 1.00 0.00 C ATOM 0 H THR A 9 8.335 0.894 4.545 1.00 0.00 H new ATOM 0 HA THR A 9 10.499 -0.878 5.444 1.00 0.00 H new ATOM 0 HB THR A 9 9.032 -1.221 2.868 1.00 0.00 H new ATOM 0 HG1 THR A 9 7.272 -2.213 4.076 1.00 0.00 H new ATOM 0 HG21 THR A 9 9.123 -3.598 3.537 1.00 0.00 H new ATOM 0 HG22 THR A 9 10.735 -2.844 3.562 1.00 0.00 H new ATOM 0 HG23 THR A 9 9.861 -3.127 5.086 1.00 0.00 H new ATOM 147 N ARG A 10 11.900 -0.627 3.135 1.00 0.00 N ATOM 148 CA ARG A 10 12.945 -0.113 2.248 1.00 0.00 C ATOM 149 C ARG A 10 12.931 -0.827 0.898 1.00 0.00 C ATOM 150 O ARG A 10 12.267 -1.852 0.734 1.00 0.00 O ATOM 151 CB ARG A 10 14.323 -0.240 2.910 1.00 0.00 C ATOM 152 CG ARG A 10 14.428 0.499 4.237 1.00 0.00 C ATOM 153 CD ARG A 10 14.192 1.995 4.071 1.00 0.00 C ATOM 154 NE ARG A 10 13.986 2.665 5.356 1.00 0.00 N ATOM 155 CZ ARG A 10 13.946 3.991 5.519 1.00 0.00 C ATOM 156 NH1 ARG A 10 14.106 4.806 4.481 1.00 0.00 N ATOM 157 NH2 ARG A 10 13.736 4.498 6.726 1.00 0.00 N ATOM 0 H ARG A 10 11.959 -1.626 3.334 1.00 0.00 H new ATOM 0 HA ARG A 10 12.740 0.942 2.068 1.00 0.00 H new ATOM 0 HB2 ARG A 10 14.544 -1.295 3.072 1.00 0.00 H new ATOM 0 HB3 ARG A 10 15.082 0.144 2.228 1.00 0.00 H new ATOM 0 HG2 ARG A 10 13.700 0.092 4.939 1.00 0.00 H new ATOM 0 HG3 ARG A 10 15.415 0.332 4.669 1.00 0.00 H new ATOM 0 HD2 ARG A 10 15.046 2.442 3.562 1.00 0.00 H new ATOM 0 HD3 ARG A 10 13.322 2.156 3.435 1.00 0.00 H new ATOM 0 HE ARG A 10 13.865 2.080 6.183 1.00 0.00 H new ATOM 0 HH11 ARG A 10 14.261 4.421 3.549 1.00 0.00 H new ATOM 0 HH12 ARG A 10 14.074 5.816 4.616 1.00 0.00 H new ATOM 0 HH21 ARG A 10 13.606 3.877 7.525 1.00 0.00 H new ATOM 0 HH22 ARG A 10 13.705 5.509 6.856 1.00 0.00 H new ATOM 171 N GLY A 11 13.670 -0.278 -0.061 1.00 0.00 N ATOM 172 CA GLY A 11 13.677 -0.818 -1.409 1.00 0.00 C ATOM 173 C GLY A 11 13.017 0.133 -2.390 1.00 0.00 C ATOM 174 O GLY A 11 12.664 1.250 -2.019 1.00 0.00 O ATOM 0 H GLY A 11 14.268 0.537 0.073 1.00 0.00 H new ATOM 0 HA2 GLY A 11 14.704 -1.010 -1.720 1.00 0.00 H new ATOM 0 HA3 GLY A 11 13.156 -1.775 -1.422 1.00 0.00 H new ATOM 178 N ARG A 12 12.854 -0.286 -3.637 1.00 0.00 N ATOM 179 CA ARG A 12 12.160 0.542 -4.619 1.00 0.00 C ATOM 180 C ARG A 12 11.274 -0.303 -5.521 1.00 0.00 C ATOM 181 O ARG A 12 11.523 -1.493 -5.718 1.00 0.00 O ATOM 182 CB ARG A 12 13.135 1.360 -5.477 1.00 0.00 C ATOM 183 CG ARG A 12 14.034 0.530 -6.382 1.00 0.00 C ATOM 184 CD ARG A 12 15.337 0.164 -5.693 1.00 0.00 C ATOM 185 NE ARG A 12 16.111 1.352 -5.339 1.00 0.00 N ATOM 186 CZ ARG A 12 17.428 1.457 -5.480 1.00 0.00 C ATOM 187 NH1 ARG A 12 18.132 0.434 -5.953 1.00 0.00 N ATOM 188 NH2 ARG A 12 18.039 2.587 -5.155 1.00 0.00 N ATOM 0 H ARG A 12 13.187 -1.182 -3.992 1.00 0.00 H new ATOM 0 HA ARG A 12 11.538 1.237 -4.054 1.00 0.00 H new ATOM 0 HB2 ARG A 12 12.562 2.053 -6.093 1.00 0.00 H new ATOM 0 HB3 ARG A 12 13.761 1.962 -4.818 1.00 0.00 H new ATOM 0 HG2 ARG A 12 13.512 -0.379 -6.680 1.00 0.00 H new ATOM 0 HG3 ARG A 12 14.248 1.088 -7.294 1.00 0.00 H new ATOM 0 HD2 ARG A 12 15.124 -0.413 -4.793 1.00 0.00 H new ATOM 0 HD3 ARG A 12 15.929 -0.475 -6.349 1.00 0.00 H new ATOM 0 HE ARG A 12 15.607 2.153 -4.959 1.00 0.00 H new ATOM 0 HH11 ARG A 12 17.661 -0.434 -6.209 1.00 0.00 H new ATOM 0 HH12 ARG A 12 19.143 0.517 -6.060 1.00 0.00 H new ATOM 0 HH21 ARG A 12 17.498 3.374 -4.797 1.00 0.00 H new ATOM 0 HH22 ARG A 12 19.050 2.669 -5.263 1.00 0.00 H new ATOM 202 N ALA A 13 10.245 0.325 -6.067 1.00 0.00 N ATOM 203 CA ALA A 13 9.307 -0.357 -6.940 1.00 0.00 C ATOM 204 C ALA A 13 8.937 0.517 -8.131 1.00 0.00 C ATOM 205 O ALA A 13 8.744 1.727 -7.996 1.00 0.00 O ATOM 206 CB ALA A 13 8.063 -0.752 -6.166 1.00 0.00 C ATOM 0 H ALA A 13 10.039 1.313 -5.919 1.00 0.00 H new ATOM 0 HA ALA A 13 9.787 -1.259 -7.319 1.00 0.00 H new ATOM 0 HB1 ALA A 13 7.367 -1.263 -6.832 1.00 0.00 H new ATOM 0 HB2 ALA A 13 8.339 -1.419 -5.349 1.00 0.00 H new ATOM 0 HB3 ALA A 13 7.588 0.141 -5.761 1.00 0.00 H new ATOM 212 N GLU A 14 8.846 -0.109 -9.292 1.00 0.00 N ATOM 213 CA GLU A 14 8.507 0.583 -10.528 1.00 0.00 C ATOM 214 C GLU A 14 7.389 -0.147 -11.268 1.00 0.00 C ATOM 215 O GLU A 14 7.502 -1.336 -11.557 1.00 0.00 O ATOM 216 CB GLU A 14 9.743 0.705 -11.435 1.00 0.00 C ATOM 217 CG GLU A 14 10.869 -0.287 -11.126 1.00 0.00 C ATOM 218 CD GLU A 14 10.446 -1.748 -11.194 1.00 0.00 C ATOM 219 OE1 GLU A 14 10.348 -2.299 -12.307 1.00 0.00 O ATOM 220 OE2 GLU A 14 10.209 -2.353 -10.123 1.00 0.00 O ATOM 0 H GLU A 14 9.004 -1.110 -9.406 1.00 0.00 H new ATOM 0 HA GLU A 14 8.159 1.583 -10.269 1.00 0.00 H new ATOM 0 HB2 GLU A 14 9.431 0.568 -12.470 1.00 0.00 H new ATOM 0 HB3 GLU A 14 10.138 1.718 -11.353 1.00 0.00 H new ATOM 0 HG2 GLU A 14 11.686 -0.123 -11.829 1.00 0.00 H new ATOM 0 HG3 GLU A 14 11.259 -0.079 -10.130 1.00 0.00 H new ATOM 227 N GLY A 15 6.301 0.547 -11.557 1.00 0.00 N ATOM 228 CA GLY A 15 5.236 -0.076 -12.314 1.00 0.00 C ATOM 229 C GLY A 15 4.012 0.800 -12.461 1.00 0.00 C ATOM 230 O GLY A 15 4.063 2.009 -12.202 1.00 0.00 O ATOM 0 H GLY A 15 6.136 1.516 -11.286 1.00 0.00 H new ATOM 0 HA2 GLY A 15 5.609 -0.336 -13.305 1.00 0.00 H new ATOM 0 HA3 GLY A 15 4.950 -1.008 -11.826 1.00 0.00 H new ATOM 234 N GLU A 16 2.918 0.185 -12.892 1.00 0.00 N ATOM 235 CA GLU A 16 1.658 0.874 -13.079 1.00 0.00 C ATOM 236 C GLU A 16 1.015 1.198 -11.738 1.00 0.00 C ATOM 237 O GLU A 16 0.972 0.352 -10.841 1.00 0.00 O ATOM 238 CB GLU A 16 0.721 -0.004 -13.898 1.00 0.00 C ATOM 239 CG GLU A 16 1.262 -0.362 -15.269 1.00 0.00 C ATOM 240 CD GLU A 16 0.388 -1.362 -15.994 1.00 0.00 C ATOM 241 OE1 GLU A 16 0.558 -2.577 -15.771 1.00 0.00 O ATOM 242 OE2 GLU A 16 -0.476 -0.938 -16.789 1.00 0.00 O ATOM 0 H GLU A 16 2.885 -0.808 -13.121 1.00 0.00 H new ATOM 0 HA GLU A 16 1.845 1.810 -13.606 1.00 0.00 H new ATOM 0 HB2 GLU A 16 0.522 -0.922 -13.345 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -0.233 0.510 -14.017 1.00 0.00 H new ATOM 0 HG2 GLU A 16 1.348 0.543 -15.870 1.00 0.00 H new ATOM 0 HG3 GLU A 16 2.267 -0.771 -15.164 1.00 0.00 H new ATOM 249 N ALA A 17 0.519 2.417 -11.604 1.00 0.00 N ATOM 250 CA ALA A 17 -0.144 2.838 -10.382 1.00 0.00 C ATOM 251 C ALA A 17 -1.609 2.432 -10.388 1.00 0.00 C ATOM 252 O ALA A 17 -2.351 2.754 -11.316 1.00 0.00 O ATOM 253 CB ALA A 17 -0.020 4.341 -10.208 1.00 0.00 C ATOM 0 H ALA A 17 0.563 3.134 -12.329 1.00 0.00 H new ATOM 0 HA ALA A 17 0.344 2.341 -9.544 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -0.521 4.643 -9.288 1.00 0.00 H new ATOM 0 HB2 ALA A 17 1.034 4.615 -10.154 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -0.483 4.845 -11.056 1.00 0.00 H new ATOM 259 N LEU A 18 -2.010 1.712 -9.357 1.00 0.00 N ATOM 260 CA LEU A 18 -3.401 1.340 -9.170 1.00 0.00 C ATOM 261 C LEU A 18 -3.954 2.137 -8.001 1.00 0.00 C ATOM 262 O LEU A 18 -3.569 1.915 -6.856 1.00 0.00 O ATOM 263 CB LEU A 18 -3.503 -0.171 -8.920 1.00 0.00 C ATOM 264 CG LEU A 18 -4.893 -0.788 -9.095 1.00 0.00 C ATOM 265 CD1 LEU A 18 -4.768 -2.290 -9.293 1.00 0.00 C ATOM 266 CD2 LEU A 18 -5.774 -0.490 -7.891 1.00 0.00 C ATOM 0 H LEU A 18 -1.384 1.369 -8.628 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.986 1.566 -10.061 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.814 -0.678 -9.596 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.162 -0.375 -7.905 1.00 0.00 H new ATOM 0 HG LEU A 18 -5.360 -0.346 -9.975 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -5.760 -2.724 -9.417 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -4.170 -2.491 -10.182 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.284 -2.733 -8.422 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -6.756 -0.939 -8.039 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -5.316 -0.906 -6.993 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -5.881 0.589 -7.777 1.00 0.00 H new ATOM 278 N VAL A 19 -4.850 3.067 -8.289 1.00 0.00 N ATOM 279 CA VAL A 19 -5.260 4.048 -7.295 1.00 0.00 C ATOM 280 C VAL A 19 -6.638 3.754 -6.724 1.00 0.00 C ATOM 281 O VAL A 19 -7.617 3.605 -7.459 1.00 0.00 O ATOM 282 CB VAL A 19 -5.246 5.472 -7.881 1.00 0.00 C ATOM 283 CG1 VAL A 19 -5.599 6.501 -6.817 1.00 0.00 C ATOM 284 CG2 VAL A 19 -3.891 5.775 -8.488 1.00 0.00 C ATOM 0 H VAL A 19 -5.305 3.164 -9.197 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.535 3.980 -6.484 1.00 0.00 H new ATOM 0 HB VAL A 19 -6.001 5.528 -8.666 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -5.582 7.499 -7.256 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -6.595 6.293 -6.426 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -4.873 6.449 -6.006 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -3.894 6.785 -8.899 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -3.122 5.698 -7.719 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -3.681 5.060 -9.283 1.00 0.00 H new ATOM 294 N THR A 20 -6.693 3.671 -5.407 1.00 0.00 N ATOM 295 CA THR A 20 -7.938 3.512 -4.679 1.00 0.00 C ATOM 296 C THR A 20 -7.935 4.420 -3.457 1.00 0.00 C ATOM 297 O THR A 20 -6.885 4.656 -2.860 1.00 0.00 O ATOM 298 CB THR A 20 -8.146 2.051 -4.226 1.00 0.00 C ATOM 299 OG1 THR A 20 -6.946 1.549 -3.624 1.00 0.00 O ATOM 300 CG2 THR A 20 -8.546 1.161 -5.391 1.00 0.00 C ATOM 0 H THR A 20 -5.868 3.712 -4.808 1.00 0.00 H new ATOM 0 HA THR A 20 -8.755 3.783 -5.348 1.00 0.00 H new ATOM 0 HB THR A 20 -8.955 2.039 -3.495 1.00 0.00 H new ATOM 0 HG1 THR A 20 -6.259 2.247 -3.633 1.00 0.00 H new ATOM 0 HG21 THR A 20 -8.684 0.139 -5.037 1.00 0.00 H new ATOM 0 HG22 THR A 20 -9.478 1.525 -5.824 1.00 0.00 H new ATOM 0 HG23 THR A 20 -7.763 1.180 -6.149 1.00 0.00 H new ATOM 308 N LYS A 21 -9.089 4.960 -3.098 1.00 0.00 N ATOM 309 CA LYS A 21 -9.186 5.768 -1.893 1.00 0.00 C ATOM 310 C LYS A 21 -10.331 5.296 -1.010 1.00 0.00 C ATOM 311 O LYS A 21 -10.806 6.025 -0.136 1.00 0.00 O ATOM 312 CB LYS A 21 -9.318 7.257 -2.230 1.00 0.00 C ATOM 313 CG LYS A 21 -10.511 7.618 -3.102 1.00 0.00 C ATOM 314 CD LYS A 21 -10.589 9.125 -3.311 1.00 0.00 C ATOM 315 CE LYS A 21 -9.373 9.647 -4.062 1.00 0.00 C ATOM 316 NZ LYS A 21 -9.239 11.124 -3.946 1.00 0.00 N ATOM 0 H LYS A 21 -9.961 4.856 -3.616 1.00 0.00 H new ATOM 0 HA LYS A 21 -8.260 5.641 -1.332 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -9.385 7.820 -1.299 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -8.408 7.582 -2.734 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -10.428 7.116 -4.066 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -11.430 7.263 -2.635 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -11.494 9.370 -3.867 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -10.663 9.624 -2.345 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -8.474 9.170 -3.673 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -9.450 9.371 -5.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -9.022 11.527 -4.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -10.131 11.527 -3.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -8.470 11.352 -3.283 1.00 0.00 H new ATOM 330 N GLU A 22 -10.750 4.058 -1.231 1.00 0.00 N ATOM 331 CA GLU A 22 -11.735 3.417 -0.375 1.00 0.00 C ATOM 332 C GLU A 22 -11.044 2.891 0.877 1.00 0.00 C ATOM 333 O GLU A 22 -10.075 2.135 0.789 1.00 0.00 O ATOM 334 CB GLU A 22 -12.412 2.254 -1.099 1.00 0.00 C ATOM 335 CG GLU A 22 -13.064 2.628 -2.421 1.00 0.00 C ATOM 336 CD GLU A 22 -14.264 3.541 -2.254 1.00 0.00 C ATOM 337 OE1 GLU A 22 -15.374 3.024 -2.002 1.00 0.00 O ATOM 338 OE2 GLU A 22 -14.108 4.771 -2.388 1.00 0.00 O ATOM 0 H GLU A 22 -10.420 3.476 -2.001 1.00 0.00 H new ATOM 0 HA GLU A 22 -12.495 4.152 -0.109 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -11.671 1.475 -1.281 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -13.170 1.826 -0.443 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -12.327 3.119 -3.057 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -13.375 1.719 -2.936 1.00 0.00 H new ATOM 345 N TYR A 23 -11.533 3.289 2.034 1.00 0.00 N ATOM 346 CA TYR A 23 -10.943 2.864 3.295 1.00 0.00 C ATOM 347 C TYR A 23 -11.380 1.438 3.613 1.00 0.00 C ATOM 348 O TYR A 23 -12.543 1.196 3.934 1.00 0.00 O ATOM 349 CB TYR A 23 -11.371 3.810 4.417 1.00 0.00 C ATOM 350 CG TYR A 23 -10.231 4.273 5.299 1.00 0.00 C ATOM 351 CD1 TYR A 23 -9.447 5.360 4.932 1.00 0.00 C ATOM 352 CD2 TYR A 23 -9.940 3.630 6.495 1.00 0.00 C ATOM 353 CE1 TYR A 23 -8.405 5.790 5.729 1.00 0.00 C ATOM 354 CE2 TYR A 23 -8.899 4.057 7.298 1.00 0.00 C ATOM 355 CZ TYR A 23 -8.136 5.138 6.910 1.00 0.00 C ATOM 356 OH TYR A 23 -7.101 5.571 7.705 1.00 0.00 O ATOM 0 H TYR A 23 -12.339 3.907 2.131 1.00 0.00 H new ATOM 0 HA TYR A 23 -9.857 2.891 3.210 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -11.855 4.682 3.978 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -12.116 3.310 5.036 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -9.656 5.877 4.007 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -10.536 2.783 6.802 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -7.804 6.635 5.427 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -8.684 3.546 8.225 1.00 0.00 H new ATOM 0 HH TYR A 23 -7.043 5.006 8.503 1.00 0.00 H new ATOM 366 N ILE A 24 -10.450 0.493 3.522 1.00 0.00 N ATOM 367 CA ILE A 24 -10.788 -0.920 3.697 1.00 0.00 C ATOM 368 C ILE A 24 -9.927 -1.537 4.795 1.00 0.00 C ATOM 369 O ILE A 24 -10.146 -2.670 5.228 1.00 0.00 O ATOM 370 CB ILE A 24 -10.621 -1.716 2.374 1.00 0.00 C ATOM 371 CG1 ILE A 24 -11.371 -1.015 1.234 1.00 0.00 C ATOM 372 CG2 ILE A 24 -11.131 -3.147 2.532 1.00 0.00 C ATOM 373 CD1 ILE A 24 -11.217 -1.702 -0.107 1.00 0.00 C ATOM 0 H ILE A 24 -9.465 0.674 3.330 1.00 0.00 H new ATOM 0 HA ILE A 24 -11.837 -0.976 3.989 1.00 0.00 H new ATOM 0 HB ILE A 24 -9.559 -1.753 2.132 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -12.430 -0.962 1.486 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -11.011 0.011 1.151 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -11.003 -3.685 1.592 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -10.566 -3.650 3.317 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -12.188 -3.129 2.799 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -11.774 -1.151 -0.864 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -10.163 -1.731 -0.382 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -11.603 -2.719 -0.041 1.00 0.00 H new ATOM 385 N SER A 25 -8.957 -0.754 5.256 1.00 0.00 N ATOM 386 CA SER A 25 -8.028 -1.148 6.309 1.00 0.00 C ATOM 387 C SER A 25 -7.392 -2.526 6.083 1.00 0.00 C ATOM 388 O SER A 25 -6.924 -3.155 7.029 1.00 0.00 O ATOM 389 CB SER A 25 -8.719 -1.071 7.675 1.00 0.00 C ATOM 390 OG SER A 25 -9.965 -1.752 7.696 1.00 0.00 O ATOM 0 H SER A 25 -8.792 0.188 4.902 1.00 0.00 H new ATOM 0 HA SER A 25 -7.201 -0.438 6.282 1.00 0.00 H new ATOM 0 HB2 SER A 25 -8.063 -1.497 8.434 1.00 0.00 H new ATOM 0 HB3 SER A 25 -8.876 -0.025 7.940 1.00 0.00 H new ATOM 0 HG SER A 25 -9.970 -2.447 7.005 1.00 0.00 H new ATOM 396 N PHE A 26 -7.354 -2.968 4.824 1.00 0.00 N ATOM 397 CA PHE A 26 -6.750 -4.252 4.449 1.00 0.00 C ATOM 398 C PHE A 26 -7.494 -5.447 5.052 1.00 0.00 C ATOM 399 O PHE A 26 -6.973 -6.560 5.085 1.00 0.00 O ATOM 400 CB PHE A 26 -5.263 -4.295 4.825 1.00 0.00 C ATOM 401 CG PHE A 26 -4.371 -3.619 3.819 1.00 0.00 C ATOM 402 CD1 PHE A 26 -4.104 -2.263 3.905 1.00 0.00 C ATOM 403 CD2 PHE A 26 -3.801 -4.346 2.787 1.00 0.00 C ATOM 404 CE1 PHE A 26 -3.285 -1.643 2.980 1.00 0.00 C ATOM 405 CE2 PHE A 26 -2.983 -3.733 1.858 1.00 0.00 C ATOM 406 CZ PHE A 26 -2.724 -2.380 1.956 1.00 0.00 C ATOM 0 H PHE A 26 -7.740 -2.448 4.036 1.00 0.00 H new ATOM 0 HA PHE A 26 -6.837 -4.333 3.365 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -5.128 -3.819 5.796 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -4.953 -5.334 4.933 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -4.541 -1.683 4.704 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -3.998 -5.405 2.708 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -3.084 -0.585 3.058 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -2.547 -4.311 1.057 1.00 0.00 H new ATOM 0 HZ PHE A 26 -2.083 -1.899 1.232 1.00 0.00 H new ATOM 416 N LEU A 27 -8.730 -5.222 5.479 1.00 0.00 N ATOM 417 CA LEU A 27 -9.594 -6.305 5.955 1.00 0.00 C ATOM 418 C LEU A 27 -10.307 -6.959 4.772 1.00 0.00 C ATOM 419 O LEU A 27 -11.394 -7.521 4.914 1.00 0.00 O ATOM 420 CB LEU A 27 -10.632 -5.765 6.953 1.00 0.00 C ATOM 421 CG LEU A 27 -10.210 -5.748 8.428 1.00 0.00 C ATOM 422 CD1 LEU A 27 -9.913 -7.153 8.916 1.00 0.00 C ATOM 423 CD2 LEU A 27 -9.004 -4.851 8.646 1.00 0.00 C ATOM 0 H LEU A 27 -9.161 -4.298 5.507 1.00 0.00 H new ATOM 0 HA LEU A 27 -8.976 -7.048 6.459 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -10.892 -4.748 6.660 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -11.538 -6.365 6.863 1.00 0.00 H new ATOM 0 HG LEU A 27 -11.042 -5.344 9.005 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -9.616 -7.119 9.964 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -10.805 -7.771 8.812 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -9.104 -7.581 8.323 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -8.730 -4.860 9.701 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -8.167 -5.215 8.050 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -9.249 -3.833 8.344 1.00 0.00 H new ATOM 435 N GLY A 28 -9.673 -6.888 3.607 1.00 0.00 N ATOM 436 CA GLY A 28 -10.273 -7.400 2.393 1.00 0.00 C ATOM 437 C GLY A 28 -9.854 -8.825 2.096 1.00 0.00 C ATOM 438 O GLY A 28 -9.946 -9.697 2.958 1.00 0.00 O ATOM 0 H GLY A 28 -8.746 -6.481 3.483 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -11.359 -7.355 2.481 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -9.994 -6.760 1.556 1.00 0.00 H new ATOM 442 N GLY A 29 -9.381 -9.060 0.879 1.00 0.00 N ATOM 443 CA GLY A 29 -9.015 -10.399 0.486 1.00 0.00 C ATOM 444 C GLY A 29 -8.558 -10.473 -0.955 1.00 0.00 C ATOM 445 O GLY A 29 -9.371 -10.582 -1.874 1.00 0.00 O ATOM 0 H GLY A 29 -9.246 -8.347 0.162 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -8.218 -10.760 1.136 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -9.868 -11.062 0.628 1.00 0.00 H new ATOM 449 N ILE A 30 -7.258 -10.366 -1.156 1.00 0.00 N ATOM 450 CA ILE A 30 -6.660 -10.627 -2.456 1.00 0.00 C ATOM 451 C ILE A 30 -6.229 -12.085 -2.503 1.00 0.00 C ATOM 452 O ILE A 30 -5.533 -12.554 -1.603 1.00 0.00 O ATOM 453 CB ILE A 30 -5.434 -9.723 -2.721 1.00 0.00 C ATOM 454 CG1 ILE A 30 -5.804 -8.249 -2.524 1.00 0.00 C ATOM 455 CG2 ILE A 30 -4.900 -9.951 -4.130 1.00 0.00 C ATOM 456 CD1 ILE A 30 -4.643 -7.293 -2.705 1.00 0.00 C ATOM 0 H ILE A 30 -6.591 -10.099 -0.432 1.00 0.00 H new ATOM 0 HA ILE A 30 -7.401 -10.411 -3.226 1.00 0.00 H new ATOM 0 HB ILE A 30 -4.652 -9.983 -2.007 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -6.592 -7.985 -3.230 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -6.216 -8.119 -1.523 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -4.037 -9.307 -4.301 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -4.603 -10.994 -4.242 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -5.678 -9.715 -4.856 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -4.986 -6.270 -2.549 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -3.862 -7.528 -1.982 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -4.244 -7.392 -3.715 1.00 0.00 H new ATOM 468 N ASP A 31 -6.671 -12.806 -3.522 1.00 0.00 N ATOM 469 CA ASP A 31 -6.361 -14.225 -3.641 1.00 0.00 C ATOM 470 C ASP A 31 -4.858 -14.438 -3.788 1.00 0.00 C ATOM 471 O ASP A 31 -4.235 -13.898 -4.696 1.00 0.00 O ATOM 472 CB ASP A 31 -7.097 -14.842 -4.827 1.00 0.00 C ATOM 473 CG ASP A 31 -6.771 -16.309 -4.998 1.00 0.00 C ATOM 474 OD1 ASP A 31 -7.350 -17.140 -4.273 1.00 0.00 O ATOM 475 OD2 ASP A 31 -5.932 -16.634 -5.859 1.00 0.00 O ATOM 0 H ASP A 31 -7.245 -12.434 -4.278 1.00 0.00 H new ATOM 0 HA ASP A 31 -6.695 -14.720 -2.729 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -8.172 -14.724 -4.688 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -6.832 -14.304 -5.737 1.00 0.00 H new ATOM 480 N LYS A 32 -4.291 -15.243 -2.905 1.00 0.00 N ATOM 481 CA LYS A 32 -2.846 -15.419 -2.846 1.00 0.00 C ATOM 482 C LYS A 32 -2.353 -16.479 -3.829 1.00 0.00 C ATOM 483 O LYS A 32 -1.164 -16.798 -3.863 1.00 0.00 O ATOM 484 CB LYS A 32 -2.415 -15.765 -1.418 1.00 0.00 C ATOM 485 CG LYS A 32 -3.174 -16.931 -0.809 1.00 0.00 C ATOM 486 CD LYS A 32 -2.755 -17.173 0.628 1.00 0.00 C ATOM 487 CE LYS A 32 -3.576 -18.276 1.275 1.00 0.00 C ATOM 488 NZ LYS A 32 -3.534 -19.537 0.490 1.00 0.00 N ATOM 0 H LYS A 32 -4.810 -15.788 -2.216 1.00 0.00 H new ATOM 0 HA LYS A 32 -2.388 -14.475 -3.140 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -1.350 -15.998 -1.417 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -2.550 -14.887 -0.786 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -4.245 -16.731 -0.849 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -2.996 -17.831 -1.398 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -1.699 -17.440 0.659 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -2.868 -16.252 1.200 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -3.202 -18.463 2.281 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -4.610 -17.946 1.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -3.930 -20.313 1.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -4.093 -19.423 -0.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -2.549 -19.758 0.241 1.00 0.00 H new ATOM 502 N GLU A 33 -3.258 -17.018 -4.634 1.00 0.00 N ATOM 503 CA GLU A 33 -2.880 -18.001 -5.638 1.00 0.00 C ATOM 504 C GLU A 33 -2.798 -17.360 -7.021 1.00 0.00 C ATOM 505 O GLU A 33 -1.945 -17.714 -7.832 1.00 0.00 O ATOM 506 CB GLU A 33 -3.874 -19.153 -5.663 1.00 0.00 C ATOM 507 CG GLU A 33 -4.004 -19.867 -4.331 1.00 0.00 C ATOM 508 CD GLU A 33 -2.675 -20.291 -3.736 1.00 0.00 C ATOM 509 OE1 GLU A 33 -1.920 -21.027 -4.404 1.00 0.00 O ATOM 510 OE2 GLU A 33 -2.388 -19.906 -2.585 1.00 0.00 O ATOM 0 H GLU A 33 -4.253 -16.793 -4.612 1.00 0.00 H new ATOM 0 HA GLU A 33 -1.897 -18.388 -5.372 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -4.852 -18.773 -5.960 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -3.567 -19.871 -6.423 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -4.516 -19.212 -3.626 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -4.632 -20.748 -4.461 1.00 0.00 H new ATOM 517 N THR A 34 -3.704 -16.426 -7.288 1.00 0.00 N ATOM 518 CA THR A 34 -3.774 -15.770 -8.590 1.00 0.00 C ATOM 519 C THR A 34 -3.411 -14.283 -8.516 1.00 0.00 C ATOM 520 O THR A 34 -3.079 -13.666 -9.529 1.00 0.00 O ATOM 521 CB THR A 34 -5.184 -15.918 -9.200 1.00 0.00 C ATOM 522 OG1 THR A 34 -6.183 -15.553 -8.235 1.00 0.00 O ATOM 523 CG2 THR A 34 -5.430 -17.344 -9.664 1.00 0.00 C ATOM 0 H THR A 34 -4.403 -16.105 -6.618 1.00 0.00 H new ATOM 0 HA THR A 34 -3.041 -16.266 -9.226 1.00 0.00 H new ATOM 0 HB THR A 34 -5.247 -15.253 -10.061 1.00 0.00 H new ATOM 0 HG1 THR A 34 -6.203 -16.220 -7.517 1.00 0.00 H new ATOM 0 HG21 THR A 34 -6.431 -17.421 -10.090 1.00 0.00 H new ATOM 0 HG22 THR A 34 -4.692 -17.613 -10.420 1.00 0.00 H new ATOM 0 HG23 THR A 34 -5.344 -18.023 -8.815 1.00 0.00 H new ATOM 531 N GLY A 35 -3.474 -13.711 -7.320 1.00 0.00 N ATOM 532 CA GLY A 35 -3.193 -12.295 -7.152 1.00 0.00 C ATOM 533 C GLY A 35 -4.362 -11.431 -7.578 1.00 0.00 C ATOM 534 O GLY A 35 -4.188 -10.266 -7.946 1.00 0.00 O ATOM 0 H GLY A 35 -3.715 -14.203 -6.460 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -2.955 -12.094 -6.107 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -2.313 -12.028 -7.737 1.00 0.00 H new ATOM 538 N ILE A 36 -5.554 -12.007 -7.529 1.00 0.00 N ATOM 539 CA ILE A 36 -6.768 -11.304 -7.910 1.00 0.00 C ATOM 540 C ILE A 36 -7.534 -10.856 -6.671 1.00 0.00 C ATOM 541 O ILE A 36 -7.796 -11.655 -5.770 1.00 0.00 O ATOM 542 CB ILE A 36 -7.684 -12.197 -8.781 1.00 0.00 C ATOM 543 CG1 ILE A 36 -6.972 -12.596 -10.081 1.00 0.00 C ATOM 544 CG2 ILE A 36 -9.001 -11.494 -9.086 1.00 0.00 C ATOM 545 CD1 ILE A 36 -6.608 -11.424 -10.968 1.00 0.00 C ATOM 0 H ILE A 36 -5.706 -12.969 -7.226 1.00 0.00 H new ATOM 0 HA ILE A 36 -6.473 -10.432 -8.493 1.00 0.00 H new ATOM 0 HB ILE A 36 -7.907 -13.103 -8.217 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -6.064 -13.146 -9.832 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -7.614 -13.277 -10.641 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -9.626 -12.143 -9.699 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -9.518 -11.268 -8.153 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -8.803 -10.567 -9.624 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -6.109 -11.788 -11.866 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -7.513 -10.886 -11.249 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -5.940 -10.753 -10.428 1.00 0.00 H new ATOM 557 N VAL A 37 -7.876 -9.575 -6.619 1.00 0.00 N ATOM 558 CA VAL A 37 -8.654 -9.040 -5.511 1.00 0.00 C ATOM 559 C VAL A 37 -10.066 -9.626 -5.526 1.00 0.00 C ATOM 560 O VAL A 37 -10.858 -9.345 -6.429 1.00 0.00 O ATOM 561 CB VAL A 37 -8.740 -7.499 -5.561 1.00 0.00 C ATOM 562 CG1 VAL A 37 -9.390 -6.952 -4.298 1.00 0.00 C ATOM 563 CG2 VAL A 37 -7.362 -6.887 -5.765 1.00 0.00 C ATOM 0 H VAL A 37 -7.627 -8.888 -7.331 1.00 0.00 H new ATOM 0 HA VAL A 37 -8.144 -9.323 -4.590 1.00 0.00 H new ATOM 0 HB VAL A 37 -9.364 -7.223 -6.411 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -9.440 -5.865 -4.356 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -10.398 -7.357 -4.203 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -8.799 -7.242 -3.430 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -7.447 -5.801 -5.797 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -6.710 -7.176 -4.941 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -6.940 -7.246 -6.704 1.00 0.00 H new ATOM 573 N LYS A 38 -10.363 -10.454 -4.533 1.00 0.00 N ATOM 574 CA LYS A 38 -11.668 -11.097 -4.427 1.00 0.00 C ATOM 575 C LYS A 38 -12.642 -10.203 -3.674 1.00 0.00 C ATOM 576 O LYS A 38 -13.854 -10.271 -3.885 1.00 0.00 O ATOM 577 CB LYS A 38 -11.538 -12.445 -3.711 1.00 0.00 C ATOM 578 CG LYS A 38 -10.664 -13.449 -4.446 1.00 0.00 C ATOM 579 CD LYS A 38 -11.308 -13.907 -5.743 1.00 0.00 C ATOM 580 CE LYS A 38 -10.385 -14.822 -6.528 1.00 0.00 C ATOM 581 NZ LYS A 38 -11.048 -15.362 -7.741 1.00 0.00 N ATOM 0 H LYS A 38 -9.714 -10.698 -3.785 1.00 0.00 H new ATOM 0 HA LYS A 38 -12.052 -11.265 -5.433 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -11.126 -12.279 -2.716 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -12.532 -12.872 -3.577 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -9.694 -13.000 -4.659 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -10.482 -14.312 -3.805 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -12.240 -14.429 -5.524 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -11.564 -13.039 -6.350 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -9.489 -14.273 -6.817 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -10.063 -15.646 -5.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -10.387 -15.982 -8.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -11.889 -15.907 -7.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -11.333 -14.576 -8.360 1.00 0.00 H new ATOM 595 N GLU A 39 -12.104 -9.372 -2.792 1.00 0.00 N ATOM 596 CA GLU A 39 -12.915 -8.433 -2.033 1.00 0.00 C ATOM 597 C GLU A 39 -13.485 -7.378 -2.973 1.00 0.00 C ATOM 598 O GLU A 39 -12.750 -6.779 -3.763 1.00 0.00 O ATOM 599 CB GLU A 39 -12.076 -7.776 -0.937 1.00 0.00 C ATOM 600 CG GLU A 39 -12.903 -7.124 0.157 1.00 0.00 C ATOM 601 CD GLU A 39 -13.839 -8.107 0.824 1.00 0.00 C ATOM 602 OE1 GLU A 39 -13.385 -8.863 1.709 1.00 0.00 O ATOM 603 OE2 GLU A 39 -15.031 -8.138 0.456 1.00 0.00 O ATOM 0 H GLU A 39 -11.106 -9.330 -2.585 1.00 0.00 H new ATOM 0 HA GLU A 39 -13.738 -8.968 -1.559 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -11.426 -8.528 -0.490 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -11.429 -7.024 -1.389 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -12.238 -6.692 0.905 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -13.482 -6.303 -0.267 1.00 0.00 H new ATOM 610 N ASP A 40 -14.789 -7.153 -2.895 1.00 0.00 N ATOM 611 CA ASP A 40 -15.453 -6.270 -3.843 1.00 0.00 C ATOM 612 C ASP A 40 -15.126 -4.814 -3.546 1.00 0.00 C ATOM 613 O ASP A 40 -15.178 -4.368 -2.400 1.00 0.00 O ATOM 614 CB ASP A 40 -16.966 -6.481 -3.832 1.00 0.00 C ATOM 615 CG ASP A 40 -17.642 -5.798 -5.007 1.00 0.00 C ATOM 616 OD1 ASP A 40 -17.967 -4.595 -4.906 1.00 0.00 O ATOM 617 OD2 ASP A 40 -17.853 -6.464 -6.043 1.00 0.00 O ATOM 0 H ASP A 40 -15.403 -7.565 -2.192 1.00 0.00 H new ATOM 0 HA ASP A 40 -15.081 -6.517 -4.837 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -17.184 -7.549 -3.859 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -17.380 -6.094 -2.901 1.00 0.00 H new ATOM 622 N CYS A 41 -14.793 -4.087 -4.597 1.00 0.00 N ATOM 623 CA CYS A 41 -14.409 -2.690 -4.497 1.00 0.00 C ATOM 624 C CYS A 41 -14.553 -2.033 -5.862 1.00 0.00 C ATOM 625 O CYS A 41 -13.774 -1.150 -6.229 1.00 0.00 O ATOM 626 CB CYS A 41 -12.967 -2.592 -3.995 1.00 0.00 C ATOM 627 SG CYS A 41 -11.830 -3.747 -4.798 1.00 0.00 S ATOM 0 H CYS A 41 -14.781 -4.451 -5.550 1.00 0.00 H new ATOM 0 HA CYS A 41 -15.057 -2.173 -3.789 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -12.607 -1.575 -4.151 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -12.954 -2.773 -2.920 1.00 0.00 H new ATOM 0 HG CYS A 41 -12.123 -4.962 -4.442 1.00 0.00 H new ATOM 633 N GLU A 42 -15.576 -2.480 -6.596 1.00 0.00 N ATOM 634 CA GLU A 42 -15.826 -2.067 -7.981 1.00 0.00 C ATOM 635 C GLU A 42 -14.800 -2.689 -8.925 1.00 0.00 C ATOM 636 O GLU A 42 -15.159 -3.324 -9.916 1.00 0.00 O ATOM 637 CB GLU A 42 -15.839 -0.541 -8.135 1.00 0.00 C ATOM 638 CG GLU A 42 -16.919 0.151 -7.316 1.00 0.00 C ATOM 639 CD GLU A 42 -18.301 -0.411 -7.582 1.00 0.00 C ATOM 640 OE1 GLU A 42 -18.873 -0.122 -8.652 1.00 0.00 O ATOM 641 OE2 GLU A 42 -18.825 -1.143 -6.717 1.00 0.00 O ATOM 0 H GLU A 42 -16.262 -3.146 -6.242 1.00 0.00 H new ATOM 0 HA GLU A 42 -16.818 -2.431 -8.249 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -14.866 -0.147 -7.842 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -15.979 -0.293 -9.187 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -16.687 0.049 -6.256 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -16.914 1.217 -7.542 1.00 0.00 H new ATOM 648 N ILE A 43 -13.523 -2.532 -8.605 1.00 0.00 N ATOM 649 CA ILE A 43 -12.461 -3.110 -9.417 1.00 0.00 C ATOM 650 C ILE A 43 -12.138 -4.532 -8.960 1.00 0.00 C ATOM 651 O ILE A 43 -10.976 -4.940 -8.909 1.00 0.00 O ATOM 652 CB ILE A 43 -11.181 -2.249 -9.368 1.00 0.00 C ATOM 653 CG1 ILE A 43 -10.726 -2.039 -7.921 1.00 0.00 C ATOM 654 CG2 ILE A 43 -11.420 -0.914 -10.058 1.00 0.00 C ATOM 655 CD1 ILE A 43 -9.388 -1.343 -7.802 1.00 0.00 C ATOM 0 H ILE A 43 -13.198 -2.011 -7.791 1.00 0.00 H new ATOM 0 HA ILE A 43 -12.822 -3.138 -10.445 1.00 0.00 H new ATOM 0 HB ILE A 43 -10.387 -2.775 -9.898 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -11.479 -1.453 -7.394 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -10.668 -3.007 -7.423 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -10.510 -0.315 -10.017 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -11.695 -1.086 -11.099 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -12.227 -0.383 -9.553 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -9.130 -1.228 -6.749 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -8.623 -1.938 -8.300 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -9.446 -0.361 -8.270 1.00 0.00 H new ATOM 667 N LYS A 44 -13.179 -5.298 -8.672 1.00 0.00 N ATOM 668 CA LYS A 44 -13.015 -6.692 -8.304 1.00 0.00 C ATOM 669 C LYS A 44 -12.648 -7.497 -9.541 1.00 0.00 C ATOM 670 O LYS A 44 -13.326 -7.414 -10.569 1.00 0.00 O ATOM 671 CB LYS A 44 -14.295 -7.235 -7.658 1.00 0.00 C ATOM 672 CG LYS A 44 -14.299 -8.744 -7.462 1.00 0.00 C ATOM 673 CD LYS A 44 -15.536 -9.208 -6.710 1.00 0.00 C ATOM 674 CE LYS A 44 -15.691 -10.721 -6.768 1.00 0.00 C ATOM 675 NZ LYS A 44 -16.043 -11.189 -8.137 1.00 0.00 N ATOM 0 H LYS A 44 -14.147 -4.976 -8.687 1.00 0.00 H new ATOM 0 HA LYS A 44 -12.213 -6.780 -7.571 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -14.434 -6.753 -6.690 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -15.148 -6.957 -8.277 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -14.256 -9.238 -8.433 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -13.406 -9.042 -6.913 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -15.472 -8.888 -5.670 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -16.421 -8.734 -7.136 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -14.762 -11.194 -6.450 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -16.464 -11.034 -6.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -16.386 -12.170 -8.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -16.788 -10.580 -8.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -15.201 -11.145 -8.746 1.00 0.00 H new ATOM 689 N GLY A 45 -11.567 -8.252 -9.443 1.00 0.00 N ATOM 690 CA GLY A 45 -11.091 -9.008 -10.580 1.00 0.00 C ATOM 691 C GLY A 45 -9.791 -8.459 -11.127 1.00 0.00 C ATOM 692 O GLY A 45 -9.233 -9.001 -12.082 1.00 0.00 O ATOM 0 H GLY A 45 -11.010 -8.355 -8.595 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -10.950 -10.049 -10.289 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -11.847 -8.996 -11.365 1.00 0.00 H new ATOM 696 N GLU A 46 -9.313 -7.371 -10.535 1.00 0.00 N ATOM 697 CA GLU A 46 -8.052 -6.772 -10.947 1.00 0.00 C ATOM 698 C GLU A 46 -6.854 -7.546 -10.415 1.00 0.00 C ATOM 699 O GLU A 46 -6.917 -8.172 -9.354 1.00 0.00 O ATOM 700 CB GLU A 46 -7.975 -5.321 -10.490 1.00 0.00 C ATOM 701 CG GLU A 46 -8.671 -4.366 -11.438 1.00 0.00 C ATOM 702 CD GLU A 46 -8.038 -4.377 -12.814 1.00 0.00 C ATOM 703 OE1 GLU A 46 -6.963 -3.766 -12.986 1.00 0.00 O ATOM 704 OE2 GLU A 46 -8.599 -5.017 -13.727 1.00 0.00 O ATOM 0 H GLU A 46 -9.780 -6.887 -9.769 1.00 0.00 H new ATOM 0 HA GLU A 46 -8.018 -6.810 -12.036 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -8.423 -5.233 -9.500 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -6.929 -5.031 -10.393 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -9.723 -4.638 -11.520 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -8.634 -3.356 -11.029 1.00 0.00 H new ATOM 711 N SER A 47 -5.765 -7.489 -11.169 1.00 0.00 N ATOM 712 CA SER A 47 -4.521 -8.131 -10.784 1.00 0.00 C ATOM 713 C SER A 47 -3.558 -7.093 -10.219 1.00 0.00 C ATOM 714 O SER A 47 -3.368 -6.025 -10.808 1.00 0.00 O ATOM 715 CB SER A 47 -3.896 -8.834 -11.994 1.00 0.00 C ATOM 716 OG SER A 47 -2.704 -9.522 -11.641 1.00 0.00 O ATOM 0 H SER A 47 -5.721 -6.997 -12.062 1.00 0.00 H new ATOM 0 HA SER A 47 -4.726 -8.877 -10.016 1.00 0.00 H new ATOM 0 HB2 SER A 47 -4.612 -9.539 -12.416 1.00 0.00 H new ATOM 0 HB3 SER A 47 -3.677 -8.100 -12.769 1.00 0.00 H new ATOM 0 HG SER A 47 -2.332 -9.960 -12.435 1.00 0.00 H new ATOM 722 N VAL A 48 -2.967 -7.400 -9.073 1.00 0.00 N ATOM 723 CA VAL A 48 -2.007 -6.500 -8.439 1.00 0.00 C ATOM 724 C VAL A 48 -0.580 -7.020 -8.607 1.00 0.00 C ATOM 725 O VAL A 48 0.374 -6.426 -8.104 1.00 0.00 O ATOM 726 CB VAL A 48 -2.316 -6.316 -6.938 1.00 0.00 C ATOM 727 CG1 VAL A 48 -3.650 -5.607 -6.754 1.00 0.00 C ATOM 728 CG2 VAL A 48 -2.314 -7.658 -6.216 1.00 0.00 C ATOM 0 H VAL A 48 -3.134 -8.266 -8.561 1.00 0.00 H new ATOM 0 HA VAL A 48 -2.095 -5.533 -8.934 1.00 0.00 H new ATOM 0 HB VAL A 48 -1.533 -5.697 -6.500 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -3.853 -5.485 -5.690 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -3.610 -4.628 -7.231 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -4.443 -6.200 -7.209 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -2.534 -7.503 -5.160 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -3.072 -8.308 -6.653 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -1.334 -8.124 -6.318 1.00 0.00 H new ATOM 738 N ALA A 49 -0.446 -8.105 -9.357 1.00 0.00 N ATOM 739 CA ALA A 49 0.823 -8.793 -9.513 1.00 0.00 C ATOM 740 C ALA A 49 1.767 -8.010 -10.409 1.00 0.00 C ATOM 741 O ALA A 49 1.741 -8.131 -11.636 1.00 0.00 O ATOM 742 CB ALA A 49 0.603 -10.195 -10.067 1.00 0.00 C ATOM 0 H ALA A 49 -1.215 -8.531 -9.873 1.00 0.00 H new ATOM 0 HA ALA A 49 1.285 -8.873 -8.529 1.00 0.00 H new ATOM 0 HB1 ALA A 49 1.564 -10.697 -10.178 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -0.026 -10.763 -9.381 1.00 0.00 H new ATOM 0 HB3 ALA A 49 0.113 -10.130 -11.039 1.00 0.00 H new ATOM 748 N GLY A 50 2.573 -7.181 -9.782 1.00 0.00 N ATOM 749 CA GLY A 50 3.579 -6.432 -10.506 1.00 0.00 C ATOM 750 C GLY A 50 3.215 -4.968 -10.665 1.00 0.00 C ATOM 751 O GLY A 50 3.850 -4.240 -11.430 1.00 0.00 O ATOM 0 H GLY A 50 2.553 -7.008 -8.777 1.00 0.00 H new ATOM 0 HA2 GLY A 50 4.532 -6.511 -9.983 1.00 0.00 H new ATOM 0 HA3 GLY A 50 3.719 -6.877 -11.491 1.00 0.00 H new ATOM 755 N ARG A 51 2.200 -4.534 -9.935 1.00 0.00 N ATOM 756 CA ARG A 51 1.754 -3.151 -9.991 1.00 0.00 C ATOM 757 C ARG A 51 2.083 -2.444 -8.688 1.00 0.00 C ATOM 758 O ARG A 51 2.576 -3.067 -7.747 1.00 0.00 O ATOM 759 CB ARG A 51 0.246 -3.077 -10.247 1.00 0.00 C ATOM 760 CG ARG A 51 -0.164 -3.394 -11.677 1.00 0.00 C ATOM 761 CD ARG A 51 -1.676 -3.331 -11.829 1.00 0.00 C ATOM 762 NE ARG A 51 -2.113 -3.375 -13.225 1.00 0.00 N ATOM 763 CZ ARG A 51 -3.395 -3.444 -13.593 1.00 0.00 C ATOM 764 NH1 ARG A 51 -4.341 -3.568 -12.668 1.00 0.00 N ATOM 765 NH2 ARG A 51 -3.731 -3.408 -14.877 1.00 0.00 N ATOM 0 H ARG A 51 1.667 -5.122 -9.294 1.00 0.00 H new ATOM 0 HA ARG A 51 2.274 -2.659 -10.813 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -0.259 -3.771 -9.575 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -0.105 -2.076 -9.995 1.00 0.00 H new ATOM 0 HG2 ARG A 51 0.305 -2.686 -12.360 1.00 0.00 H new ATOM 0 HG3 ARG A 51 0.193 -4.387 -11.951 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -2.125 -4.163 -11.287 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -2.044 -2.415 -11.368 1.00 0.00 H new ATOM 0 HE ARG A 51 -1.401 -3.352 -13.955 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -4.087 -3.610 -11.681 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -5.321 -3.621 -12.945 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -3.007 -3.327 -15.591 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -4.713 -3.461 -15.149 1.00 0.00 H new ATOM 779 N ILE A 52 1.819 -1.152 -8.636 1.00 0.00 N ATOM 780 CA ILE A 52 1.988 -0.392 -7.411 1.00 0.00 C ATOM 781 C ILE A 52 0.622 0.005 -6.878 1.00 0.00 C ATOM 782 O ILE A 52 -0.155 0.665 -7.567 1.00 0.00 O ATOM 783 CB ILE A 52 2.860 0.865 -7.621 1.00 0.00 C ATOM 784 CG1 ILE A 52 4.273 0.457 -8.047 1.00 0.00 C ATOM 785 CG2 ILE A 52 2.901 1.710 -6.352 1.00 0.00 C ATOM 786 CD1 ILE A 52 5.221 1.624 -8.221 1.00 0.00 C ATOM 0 H ILE A 52 1.486 -0.605 -9.430 1.00 0.00 H new ATOM 0 HA ILE A 52 2.505 -1.025 -6.690 1.00 0.00 H new ATOM 0 HB ILE A 52 2.418 1.469 -8.413 1.00 0.00 H new ATOM 0 HG12 ILE A 52 4.684 -0.225 -7.302 1.00 0.00 H new ATOM 0 HG13 ILE A 52 4.214 -0.094 -8.986 1.00 0.00 H new ATOM 0 HG21 ILE A 52 3.521 2.591 -6.521 1.00 0.00 H new ATOM 0 HG22 ILE A 52 1.890 2.022 -6.090 1.00 0.00 H new ATOM 0 HG23 ILE A 52 3.322 1.122 -5.537 1.00 0.00 H new ATOM 0 HD11 ILE A 52 6.201 1.255 -8.523 1.00 0.00 H new ATOM 0 HD12 ILE A 52 4.834 2.296 -8.987 1.00 0.00 H new ATOM 0 HD13 ILE A 52 5.311 2.163 -7.278 1.00 0.00 H new ATOM 798 N LEU A 53 0.328 -0.416 -5.663 1.00 0.00 N ATOM 799 CA LEU A 53 -0.988 -0.205 -5.091 1.00 0.00 C ATOM 800 C LEU A 53 -1.034 1.100 -4.313 1.00 0.00 C ATOM 801 O LEU A 53 -0.277 1.299 -3.363 1.00 0.00 O ATOM 802 CB LEU A 53 -1.366 -1.381 -4.185 1.00 0.00 C ATOM 803 CG LEU A 53 -2.771 -1.319 -3.581 1.00 0.00 C ATOM 804 CD1 LEU A 53 -3.821 -1.364 -4.680 1.00 0.00 C ATOM 805 CD2 LEU A 53 -2.977 -2.462 -2.598 1.00 0.00 C ATOM 0 H LEU A 53 0.982 -0.906 -5.053 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.711 -0.142 -5.904 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -1.276 -2.303 -4.759 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.642 -1.439 -3.372 1.00 0.00 H new ATOM 0 HG LEU A 53 -2.876 -0.378 -3.041 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -4.815 -1.319 -4.235 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -3.684 -0.514 -5.349 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.717 -2.291 -5.244 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.981 -2.404 -2.177 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -2.855 -3.413 -3.116 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.243 -2.389 -1.796 1.00 0.00 H new ATOM 817 N VAL A 54 -1.917 1.986 -4.736 1.00 0.00 N ATOM 818 CA VAL A 54 -2.157 3.227 -4.028 1.00 0.00 C ATOM 819 C VAL A 54 -3.442 3.090 -3.228 1.00 0.00 C ATOM 820 O VAL A 54 -4.537 3.048 -3.789 1.00 0.00 O ATOM 821 CB VAL A 54 -2.272 4.428 -4.995 1.00 0.00 C ATOM 822 CG1 VAL A 54 -2.534 5.713 -4.230 1.00 0.00 C ATOM 823 CG2 VAL A 54 -1.017 4.556 -5.844 1.00 0.00 C ATOM 0 H VAL A 54 -2.484 1.866 -5.575 1.00 0.00 H new ATOM 0 HA VAL A 54 -1.311 3.418 -3.368 1.00 0.00 H new ATOM 0 HB VAL A 54 -3.118 4.249 -5.659 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -2.611 6.544 -4.931 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -3.466 5.621 -3.672 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -1.713 5.898 -3.537 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -1.119 5.407 -6.517 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -0.153 4.707 -5.196 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -0.878 3.646 -6.428 1.00 0.00 H new ATOM 833 N PHE A 55 -3.297 2.992 -1.921 1.00 0.00 N ATOM 834 CA PHE A 55 -4.421 2.714 -1.047 1.00 0.00 C ATOM 835 C PHE A 55 -4.373 3.668 0.142 1.00 0.00 C ATOM 836 O PHE A 55 -3.294 3.989 0.620 1.00 0.00 O ATOM 837 CB PHE A 55 -4.328 1.248 -0.591 1.00 0.00 C ATOM 838 CG PHE A 55 -5.545 0.715 0.107 1.00 0.00 C ATOM 839 CD1 PHE A 55 -6.686 0.397 -0.608 1.00 0.00 C ATOM 840 CD2 PHE A 55 -5.538 0.509 1.475 1.00 0.00 C ATOM 841 CE1 PHE A 55 -7.799 -0.109 0.029 1.00 0.00 C ATOM 842 CE2 PHE A 55 -6.649 0.005 2.120 1.00 0.00 C ATOM 843 CZ PHE A 55 -7.779 -0.306 1.396 1.00 0.00 C ATOM 0 H PHE A 55 -2.405 3.102 -1.438 1.00 0.00 H new ATOM 0 HA PHE A 55 -5.369 2.863 -1.565 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -4.128 0.625 -1.463 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -3.473 1.146 0.077 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -6.705 0.547 -1.677 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -4.652 0.746 2.045 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -8.685 -0.351 -0.540 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -6.633 -0.145 3.189 1.00 0.00 H new ATOM 0 HZ PHE A 55 -8.649 -0.704 1.897 1.00 0.00 H new ATOM 853 N PRO A 56 -5.525 4.142 0.639 1.00 0.00 N ATOM 854 CA PRO A 56 -5.558 5.054 1.785 1.00 0.00 C ATOM 855 C PRO A 56 -4.995 4.396 3.039 1.00 0.00 C ATOM 856 O PRO A 56 -4.307 5.033 3.837 1.00 0.00 O ATOM 857 CB PRO A 56 -7.045 5.377 1.957 1.00 0.00 C ATOM 858 CG PRO A 56 -7.764 4.280 1.251 1.00 0.00 C ATOM 859 CD PRO A 56 -6.869 3.854 0.124 1.00 0.00 C ATOM 0 HA PRO A 56 -4.948 5.943 1.624 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -7.321 5.415 3.011 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -7.290 6.349 1.528 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -7.964 3.448 1.926 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -8.727 4.624 0.875 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -6.993 2.797 -0.111 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -7.078 4.411 -0.790 1.00 0.00 H new ATOM 867 N GLY A 57 -5.278 3.112 3.184 1.00 0.00 N ATOM 868 CA GLY A 57 -4.754 2.352 4.290 1.00 0.00 C ATOM 869 C GLY A 57 -5.834 1.929 5.257 1.00 0.00 C ATOM 870 O GLY A 57 -7.004 1.791 4.885 1.00 0.00 O ATOM 0 H GLY A 57 -5.869 2.580 2.545 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -4.243 1.468 3.910 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -4.010 2.949 4.818 1.00 0.00 H new ATOM 969 N TYR A 66 0.301 -11.292 7.119 1.00 0.00 N ATOM 970 CA TYR A 66 0.738 -12.571 6.571 1.00 0.00 C ATOM 971 C TYR A 66 0.274 -12.753 5.129 1.00 0.00 C ATOM 972 O TYR A 66 0.930 -13.433 4.341 1.00 0.00 O ATOM 973 CB TYR A 66 0.228 -13.720 7.444 1.00 0.00 C ATOM 974 CG TYR A 66 0.605 -13.571 8.904 1.00 0.00 C ATOM 975 CD1 TYR A 66 1.931 -13.664 9.314 1.00 0.00 C ATOM 976 CD2 TYR A 66 -0.362 -13.315 9.868 1.00 0.00 C ATOM 977 CE1 TYR A 66 2.280 -13.514 10.643 1.00 0.00 C ATOM 978 CE2 TYR A 66 -0.020 -13.160 11.196 1.00 0.00 C ATOM 979 CZ TYR A 66 1.302 -13.259 11.578 1.00 0.00 C ATOM 980 OH TYR A 66 1.650 -13.093 12.900 1.00 0.00 O ATOM 0 HA TYR A 66 1.828 -12.579 6.570 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -0.857 -13.778 7.359 1.00 0.00 H new ATOM 0 HB3 TYR A 66 0.628 -14.661 7.066 1.00 0.00 H new ATOM 0 HD1 TYR A 66 2.701 -13.857 8.581 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -1.398 -13.236 9.573 1.00 0.00 H new ATOM 0 HE1 TYR A 66 3.313 -13.596 10.946 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -0.784 -12.962 11.933 1.00 0.00 H new ATOM 0 HH TYR A 66 0.845 -12.919 13.431 1.00 0.00 H new ATOM 990 N VAL A 67 -0.841 -12.120 4.778 1.00 0.00 N ATOM 991 CA VAL A 67 -1.389 -12.242 3.431 1.00 0.00 C ATOM 992 C VAL A 67 -0.467 -11.586 2.402 1.00 0.00 C ATOM 993 O VAL A 67 -0.367 -12.048 1.267 1.00 0.00 O ATOM 994 CB VAL A 67 -2.810 -11.642 3.324 1.00 0.00 C ATOM 995 CG1 VAL A 67 -3.782 -12.409 4.206 1.00 0.00 C ATOM 996 CG2 VAL A 67 -2.819 -10.164 3.688 1.00 0.00 C ATOM 0 H VAL A 67 -1.380 -11.521 5.403 1.00 0.00 H new ATOM 0 HA VAL A 67 -1.459 -13.308 3.217 1.00 0.00 H new ATOM 0 HB VAL A 67 -3.130 -11.734 2.286 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -4.777 -11.972 4.117 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.814 -13.452 3.890 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -3.453 -12.354 5.244 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -3.833 -9.774 3.602 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -2.468 -10.039 4.712 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -2.162 -9.618 3.011 1.00 0.00 H new ATOM 1006 N LEU A 68 0.228 -10.528 2.808 1.00 0.00 N ATOM 1007 CA LEU A 68 1.168 -9.852 1.921 1.00 0.00 C ATOM 1008 C LEU A 68 2.378 -10.738 1.657 1.00 0.00 C ATOM 1009 O LEU A 68 2.908 -10.771 0.546 1.00 0.00 O ATOM 1010 CB LEU A 68 1.607 -8.507 2.512 1.00 0.00 C ATOM 1011 CG LEU A 68 0.929 -7.271 1.905 1.00 0.00 C ATOM 1012 CD1 LEU A 68 1.291 -7.130 0.433 1.00 0.00 C ATOM 1013 CD2 LEU A 68 -0.583 -7.337 2.073 1.00 0.00 C ATOM 0 H LEU A 68 0.159 -10.122 3.741 1.00 0.00 H new ATOM 0 HA LEU A 68 0.664 -9.658 0.974 1.00 0.00 H new ATOM 0 HB2 LEU A 68 1.411 -8.519 3.584 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.685 -8.408 2.386 1.00 0.00 H new ATOM 0 HG LEU A 68 1.293 -6.394 2.440 1.00 0.00 H new ATOM 0 HD11 LEU A 68 0.801 -6.248 0.021 1.00 0.00 H new ATOM 0 HD12 LEU A 68 2.371 -7.025 0.332 1.00 0.00 H new ATOM 0 HD13 LEU A 68 0.961 -8.016 -0.109 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.037 -6.449 1.634 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -0.966 -8.226 1.572 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -0.830 -7.384 3.134 1.00 0.00 H new ATOM 1025 N LEU A 69 2.794 -11.471 2.682 1.00 0.00 N ATOM 1026 CA LEU A 69 3.892 -12.414 2.549 1.00 0.00 C ATOM 1027 C LEU A 69 3.487 -13.549 1.612 1.00 0.00 C ATOM 1028 O LEU A 69 4.279 -13.997 0.783 1.00 0.00 O ATOM 1029 CB LEU A 69 4.292 -12.968 3.925 1.00 0.00 C ATOM 1030 CG LEU A 69 5.476 -13.941 3.919 1.00 0.00 C ATOM 1031 CD1 LEU A 69 6.729 -13.261 3.389 1.00 0.00 C ATOM 1032 CD2 LEU A 69 5.720 -14.490 5.316 1.00 0.00 C ATOM 0 H LEU A 69 2.385 -11.429 3.616 1.00 0.00 H new ATOM 0 HA LEU A 69 4.754 -11.898 2.126 1.00 0.00 H new ATOM 0 HB2 LEU A 69 4.534 -12.131 4.579 1.00 0.00 H new ATOM 0 HB3 LEU A 69 3.430 -13.473 4.360 1.00 0.00 H new ATOM 0 HG LEU A 69 5.232 -14.772 3.257 1.00 0.00 H new ATOM 0 HD11 LEU A 69 7.557 -13.970 3.393 1.00 0.00 H new ATOM 0 HD12 LEU A 69 6.552 -12.916 2.370 1.00 0.00 H new ATOM 0 HD13 LEU A 69 6.977 -12.410 4.023 1.00 0.00 H new ATOM 0 HD21 LEU A 69 6.564 -15.179 5.294 1.00 0.00 H new ATOM 0 HD22 LEU A 69 5.941 -13.668 5.997 1.00 0.00 H new ATOM 0 HD23 LEU A 69 4.830 -15.017 5.660 1.00 0.00 H new ATOM 1044 N ASN A 70 2.237 -13.991 1.742 1.00 0.00 N ATOM 1045 CA ASN A 70 1.682 -15.024 0.868 1.00 0.00 C ATOM 1046 C ASN A 70 1.708 -14.568 -0.582 1.00 0.00 C ATOM 1047 O ASN A 70 2.157 -15.296 -1.468 1.00 0.00 O ATOM 1048 CB ASN A 70 0.239 -15.354 1.263 1.00 0.00 C ATOM 1049 CG ASN A 70 0.123 -16.059 2.600 1.00 0.00 C ATOM 1050 OD1 ASN A 70 1.095 -16.895 2.925 1.00 0.00 O flip ATOM 1051 ND2 ASN A 70 -0.848 -15.871 3.329 1.00 0.00 N flip ATOM 0 H ASN A 70 1.586 -13.648 2.448 1.00 0.00 H new ATOM 0 HA ASN A 70 2.298 -15.917 0.979 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -0.340 -14.431 1.297 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -0.206 -15.981 0.491 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -1.579 -15.219 3.046 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -0.923 -16.367 4.217 1.00 0.00 H new ATOM 1058 N LEU A 71 1.224 -13.350 -0.807 1.00 0.00 N ATOM 1059 CA LEU A 71 1.178 -12.768 -2.141 1.00 0.00 C ATOM 1060 C LEU A 71 2.569 -12.721 -2.764 1.00 0.00 C ATOM 1061 O LEU A 71 2.759 -13.126 -3.912 1.00 0.00 O ATOM 1062 CB LEU A 71 0.591 -11.354 -2.082 1.00 0.00 C ATOM 1063 CG LEU A 71 -0.873 -11.264 -1.655 1.00 0.00 C ATOM 1064 CD1 LEU A 71 -1.296 -9.812 -1.496 1.00 0.00 C ATOM 1065 CD2 LEU A 71 -1.761 -11.965 -2.667 1.00 0.00 C ATOM 0 H LEU A 71 0.855 -12.744 -0.074 1.00 0.00 H new ATOM 0 HA LEU A 71 0.541 -13.398 -2.762 1.00 0.00 H new ATOM 0 HB2 LEU A 71 1.189 -10.760 -1.391 1.00 0.00 H new ATOM 0 HB3 LEU A 71 0.693 -10.897 -3.066 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.982 -11.761 -0.691 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -2.342 -9.769 -1.192 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -0.677 -9.334 -0.737 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.173 -9.291 -2.446 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.801 -11.893 -2.350 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -1.645 -11.492 -3.642 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -1.475 -13.014 -2.737 1.00 0.00 H new ATOM 1077 N ARG A 72 3.539 -12.237 -1.996 1.00 0.00 N ATOM 1078 CA ARG A 72 4.903 -12.086 -2.491 1.00 0.00 C ATOM 1079 C ARG A 72 5.523 -13.447 -2.781 1.00 0.00 C ATOM 1080 O ARG A 72 6.261 -13.607 -3.754 1.00 0.00 O ATOM 1081 CB ARG A 72 5.762 -11.326 -1.476 1.00 0.00 C ATOM 1082 CG ARG A 72 6.967 -10.622 -2.087 1.00 0.00 C ATOM 1083 CD ARG A 72 8.278 -11.310 -1.731 1.00 0.00 C ATOM 1084 NE ARG A 72 8.447 -12.586 -2.421 1.00 0.00 N ATOM 1085 CZ ARG A 72 9.217 -13.578 -1.976 1.00 0.00 C ATOM 1086 NH1 ARG A 72 9.881 -13.448 -0.834 1.00 0.00 N ATOM 1087 NH2 ARG A 72 9.328 -14.697 -2.679 1.00 0.00 N ATOM 0 H ARG A 72 3.406 -11.943 -1.028 1.00 0.00 H new ATOM 0 HA ARG A 72 4.865 -11.514 -3.418 1.00 0.00 H new ATOM 0 HB2 ARG A 72 5.140 -10.587 -0.971 1.00 0.00 H new ATOM 0 HB3 ARG A 72 6.110 -12.024 -0.715 1.00 0.00 H new ATOM 0 HG2 ARG A 72 6.857 -10.593 -3.171 1.00 0.00 H new ATOM 0 HG3 ARG A 72 6.996 -9.589 -1.741 1.00 0.00 H new ATOM 0 HD2 ARG A 72 9.110 -10.652 -1.983 1.00 0.00 H new ATOM 0 HD3 ARG A 72 8.317 -11.475 -0.654 1.00 0.00 H new ATOM 0 HE ARG A 72 7.945 -12.726 -3.298 1.00 0.00 H new ATOM 0 HH11 ARG A 72 9.803 -12.586 -0.294 1.00 0.00 H new ATOM 0 HH12 ARG A 72 10.469 -14.210 -0.497 1.00 0.00 H new ATOM 0 HH21 ARG A 72 8.824 -14.798 -3.560 1.00 0.00 H new ATOM 0 HH22 ARG A 72 9.917 -15.457 -2.339 1.00 0.00 H new ATOM 1101 N LYS A 73 5.209 -14.422 -1.938 1.00 0.00 N ATOM 1102 CA LYS A 73 5.736 -15.775 -2.089 1.00 0.00 C ATOM 1103 C LYS A 73 5.305 -16.397 -3.408 1.00 0.00 C ATOM 1104 O LYS A 73 6.018 -17.218 -3.979 1.00 0.00 O ATOM 1105 CB LYS A 73 5.283 -16.652 -0.923 1.00 0.00 C ATOM 1106 CG LYS A 73 6.389 -16.936 0.079 1.00 0.00 C ATOM 1107 CD LYS A 73 7.496 -17.756 -0.559 1.00 0.00 C ATOM 1108 CE LYS A 73 8.636 -18.019 0.407 1.00 0.00 C ATOM 1109 NZ LYS A 73 9.646 -18.928 -0.189 1.00 0.00 N ATOM 0 H LYS A 73 4.588 -14.301 -1.138 1.00 0.00 H new ATOM 0 HA LYS A 73 6.824 -15.710 -2.088 1.00 0.00 H new ATOM 0 HB2 LYS A 73 4.454 -16.164 -0.410 1.00 0.00 H new ATOM 0 HB3 LYS A 73 4.904 -17.597 -1.313 1.00 0.00 H new ATOM 0 HG2 LYS A 73 6.796 -15.997 0.454 1.00 0.00 H new ATOM 0 HG3 LYS A 73 5.981 -17.472 0.936 1.00 0.00 H new ATOM 0 HD2 LYS A 73 7.089 -18.705 -0.907 1.00 0.00 H new ATOM 0 HD3 LYS A 73 7.877 -17.232 -1.435 1.00 0.00 H new ATOM 0 HE2 LYS A 73 9.109 -17.076 0.681 1.00 0.00 H new ATOM 0 HE3 LYS A 73 8.244 -18.458 1.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 10.413 -19.090 0.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 9.198 -19.836 -0.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 10.035 -18.497 -1.051 1.00 0.00 H new ATOM 1123 N ASN A 74 4.139 -16.003 -3.893 1.00 0.00 N ATOM 1124 CA ASN A 74 3.641 -16.508 -5.163 1.00 0.00 C ATOM 1125 C ASN A 74 4.121 -15.612 -6.302 1.00 0.00 C ATOM 1126 O ASN A 74 4.218 -16.039 -7.450 1.00 0.00 O ATOM 1127 CB ASN A 74 2.111 -16.568 -5.149 1.00 0.00 C ATOM 1128 CG ASN A 74 1.546 -17.541 -6.171 1.00 0.00 C ATOM 1129 OD1 ASN A 74 2.148 -17.802 -7.213 1.00 0.00 O ATOM 1130 ND2 ASN A 74 0.377 -18.080 -5.878 1.00 0.00 N ATOM 0 H ASN A 74 3.521 -15.337 -3.429 1.00 0.00 H new ATOM 0 HA ASN A 74 4.027 -17.516 -5.316 1.00 0.00 H new ATOM 0 HB2 ASN A 74 1.773 -16.858 -4.154 1.00 0.00 H new ATOM 0 HB3 ASN A 74 1.712 -15.573 -5.344 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -0.058 -18.738 -6.525 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -0.091 -17.839 -5.004 1.00 0.00 H new ATOM 1137 N GLY A 75 4.450 -14.372 -5.966 1.00 0.00 N ATOM 1138 CA GLY A 75 4.854 -13.412 -6.975 1.00 0.00 C ATOM 1139 C GLY A 75 3.669 -12.645 -7.511 1.00 0.00 C ATOM 1140 O GLY A 75 3.744 -12.006 -8.562 1.00 0.00 O ATOM 0 H GLY A 75 4.444 -14.013 -5.011 1.00 0.00 H new ATOM 0 HA2 GLY A 75 5.577 -12.716 -6.549 1.00 0.00 H new ATOM 0 HA3 GLY A 75 5.354 -13.930 -7.793 1.00 0.00 H new ATOM 1144 N VAL A 76 2.568 -12.705 -6.778 1.00 0.00 N ATOM 1145 CA VAL A 76 1.326 -12.077 -7.200 1.00 0.00 C ATOM 1146 C VAL A 76 1.041 -10.830 -6.372 1.00 0.00 C ATOM 1147 O VAL A 76 -0.062 -10.287 -6.401 1.00 0.00 O ATOM 1148 CB VAL A 76 0.136 -13.055 -7.091 1.00 0.00 C ATOM 1149 CG1 VAL A 76 0.330 -14.242 -8.022 1.00 0.00 C ATOM 1150 CG2 VAL A 76 -0.052 -13.525 -5.658 1.00 0.00 C ATOM 0 H VAL A 76 2.510 -13.186 -5.881 1.00 0.00 H new ATOM 0 HA VAL A 76 1.446 -11.792 -8.245 1.00 0.00 H new ATOM 0 HB VAL A 76 -0.766 -12.523 -7.394 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -0.519 -14.919 -7.930 1.00 0.00 H new ATOM 0 HG12 VAL A 76 0.403 -13.889 -9.051 1.00 0.00 H new ATOM 0 HG13 VAL A 76 1.245 -14.769 -7.753 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -0.896 -14.213 -5.608 1.00 0.00 H new ATOM 0 HG22 VAL A 76 0.851 -14.034 -5.321 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -0.246 -12.666 -5.016 1.00 0.00 H new ATOM 1160 N ALA A 77 2.051 -10.374 -5.648 1.00 0.00 N ATOM 1161 CA ALA A 77 1.915 -9.206 -4.795 1.00 0.00 C ATOM 1162 C ALA A 77 2.221 -7.930 -5.567 1.00 0.00 C ATOM 1163 O ALA A 77 2.896 -7.964 -6.601 1.00 0.00 O ATOM 1164 CB ALA A 77 2.848 -9.317 -3.598 1.00 0.00 C ATOM 0 H ALA A 77 2.978 -10.798 -5.635 1.00 0.00 H new ATOM 0 HA ALA A 77 0.884 -9.162 -4.445 1.00 0.00 H new ATOM 0 HB1 ALA A 77 2.736 -8.435 -2.967 1.00 0.00 H new ATOM 0 HB2 ALA A 77 2.598 -10.209 -3.023 1.00 0.00 H new ATOM 0 HB3 ALA A 77 3.879 -9.386 -3.945 1.00 0.00 H new ATOM 1170 N PRO A 78 1.716 -6.788 -5.084 1.00 0.00 N ATOM 1171 CA PRO A 78 2.096 -5.485 -5.615 1.00 0.00 C ATOM 1172 C PRO A 78 3.549 -5.182 -5.274 1.00 0.00 C ATOM 1173 O PRO A 78 4.014 -5.531 -4.190 1.00 0.00 O ATOM 1174 CB PRO A 78 1.162 -4.497 -4.900 1.00 0.00 C ATOM 1175 CG PRO A 78 0.120 -5.330 -4.228 1.00 0.00 C ATOM 1176 CD PRO A 78 0.739 -6.676 -3.992 1.00 0.00 C ATOM 0 HA PRO A 78 2.008 -5.432 -6.700 1.00 0.00 H new ATOM 0 HB2 PRO A 78 1.710 -3.897 -4.174 1.00 0.00 H new ATOM 0 HB3 PRO A 78 0.710 -3.804 -5.609 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -0.193 -4.876 -3.287 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -0.770 -5.416 -4.852 1.00 0.00 H new ATOM 0 HD2 PRO A 78 1.218 -6.734 -3.015 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -0.003 -7.474 -4.031 1.00 0.00 H new ATOM 1184 N LYS A 79 4.260 -4.538 -6.189 1.00 0.00 N ATOM 1185 CA LYS A 79 5.660 -4.210 -5.975 1.00 0.00 C ATOM 1186 C LYS A 79 5.817 -3.287 -4.774 1.00 0.00 C ATOM 1187 O LYS A 79 6.806 -3.354 -4.044 1.00 0.00 O ATOM 1188 CB LYS A 79 6.244 -3.537 -7.213 1.00 0.00 C ATOM 1189 CG LYS A 79 6.396 -4.449 -8.419 1.00 0.00 C ATOM 1190 CD LYS A 79 7.172 -3.751 -9.524 1.00 0.00 C ATOM 1191 CE LYS A 79 7.287 -4.605 -10.776 1.00 0.00 C ATOM 1192 NZ LYS A 79 8.097 -3.930 -11.826 1.00 0.00 N ATOM 0 H LYS A 79 3.888 -4.232 -7.088 1.00 0.00 H new ATOM 0 HA LYS A 79 6.199 -5.138 -5.783 1.00 0.00 H new ATOM 0 HB2 LYS A 79 5.606 -2.697 -7.488 1.00 0.00 H new ATOM 0 HB3 LYS A 79 7.221 -3.126 -6.960 1.00 0.00 H new ATOM 0 HG2 LYS A 79 6.912 -5.364 -8.127 1.00 0.00 H new ATOM 0 HG3 LYS A 79 5.412 -4.741 -8.787 1.00 0.00 H new ATOM 0 HD2 LYS A 79 6.680 -2.811 -9.772 1.00 0.00 H new ATOM 0 HD3 LYS A 79 8.170 -3.503 -9.163 1.00 0.00 H new ATOM 0 HE2 LYS A 79 7.742 -5.563 -10.524 1.00 0.00 H new ATOM 0 HE3 LYS A 79 6.291 -4.818 -11.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 7.989 -4.437 -12.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 7.771 -2.949 -11.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 9.099 -3.931 -11.546 1.00 0.00 H new ATOM 1206 N ALA A 80 4.831 -2.423 -4.584 1.00 0.00 N ATOM 1207 CA ALA A 80 4.834 -1.493 -3.469 1.00 0.00 C ATOM 1208 C ALA A 80 3.414 -1.087 -3.113 1.00 0.00 C ATOM 1209 O ALA A 80 2.509 -1.148 -3.951 1.00 0.00 O ATOM 1210 CB ALA A 80 5.662 -0.258 -3.797 1.00 0.00 C ATOM 0 H ALA A 80 4.015 -2.348 -5.192 1.00 0.00 H new ATOM 0 HA ALA A 80 5.284 -1.994 -2.612 1.00 0.00 H new ATOM 0 HB1 ALA A 80 5.650 0.424 -2.947 1.00 0.00 H new ATOM 0 HB2 ALA A 80 6.689 -0.555 -4.010 1.00 0.00 H new ATOM 0 HB3 ALA A 80 5.241 0.241 -4.669 1.00 0.00 H new ATOM 1216 N ILE A 81 3.226 -0.684 -1.868 1.00 0.00 N ATOM 1217 CA ILE A 81 1.944 -0.170 -1.409 1.00 0.00 C ATOM 1218 C ILE A 81 2.123 1.219 -0.803 1.00 0.00 C ATOM 1219 O ILE A 81 2.808 1.393 0.206 1.00 0.00 O ATOM 1220 CB ILE A 81 1.267 -1.113 -0.385 1.00 0.00 C ATOM 1221 CG1 ILE A 81 2.249 -1.526 0.716 1.00 0.00 C ATOM 1222 CG2 ILE A 81 0.702 -2.340 -1.087 1.00 0.00 C ATOM 1223 CD1 ILE A 81 1.619 -2.368 1.809 1.00 0.00 C ATOM 0 H ILE A 81 3.951 -0.703 -1.151 1.00 0.00 H new ATOM 0 HA ILE A 81 1.289 -0.109 -2.278 1.00 0.00 H new ATOM 0 HB ILE A 81 0.446 -0.571 0.084 1.00 0.00 H new ATOM 0 HG12 ILE A 81 3.071 -2.084 0.267 1.00 0.00 H new ATOM 0 HG13 ILE A 81 2.679 -0.629 1.162 1.00 0.00 H new ATOM 0 HG21 ILE A 81 0.229 -2.993 -0.354 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -0.037 -2.029 -1.825 1.00 0.00 H new ATOM 0 HG23 ILE A 81 1.509 -2.878 -1.585 1.00 0.00 H new ATOM 0 HD11 ILE A 81 2.374 -2.623 2.553 1.00 0.00 H new ATOM 0 HD12 ILE A 81 0.816 -1.805 2.285 1.00 0.00 H new ATOM 0 HD13 ILE A 81 1.214 -3.282 1.376 1.00 0.00 H new ATOM 1235 N ILE A 82 1.534 2.213 -1.447 1.00 0.00 N ATOM 1236 CA ILE A 82 1.640 3.588 -0.983 1.00 0.00 C ATOM 1237 C ILE A 82 0.343 3.972 -0.290 1.00 0.00 C ATOM 1238 O ILE A 82 -0.721 3.977 -0.912 1.00 0.00 O ATOM 1239 CB ILE A 82 1.922 4.581 -2.143 1.00 0.00 C ATOM 1240 CG1 ILE A 82 2.821 3.935 -3.208 1.00 0.00 C ATOM 1241 CG2 ILE A 82 2.573 5.859 -1.612 1.00 0.00 C ATOM 1242 CD1 ILE A 82 4.153 3.447 -2.679 1.00 0.00 C ATOM 0 H ILE A 82 0.977 2.094 -2.293 1.00 0.00 H new ATOM 0 HA ILE A 82 2.482 3.648 -0.293 1.00 0.00 H new ATOM 0 HB ILE A 82 0.969 4.839 -2.604 1.00 0.00 H new ATOM 0 HG12 ILE A 82 2.290 3.095 -3.655 1.00 0.00 H new ATOM 0 HG13 ILE A 82 3.001 4.658 -4.003 1.00 0.00 H new ATOM 0 HG21 ILE A 82 2.763 6.542 -2.440 1.00 0.00 H new ATOM 0 HG22 ILE A 82 1.906 6.336 -0.894 1.00 0.00 H new ATOM 0 HG23 ILE A 82 3.515 5.611 -1.123 1.00 0.00 H new ATOM 0 HD11 ILE A 82 4.728 3.004 -3.493 1.00 0.00 H new ATOM 0 HD12 ILE A 82 4.707 4.286 -2.258 1.00 0.00 H new ATOM 0 HD13 ILE A 82 3.985 2.698 -1.905 1.00 0.00 H new ATOM 1254 N ASN A 83 0.427 4.266 0.994 1.00 0.00 N ATOM 1255 CA ASN A 83 -0.764 4.510 1.791 1.00 0.00 C ATOM 1256 C ASN A 83 -0.808 5.944 2.285 1.00 0.00 C ATOM 1257 O ASN A 83 0.115 6.719 2.050 1.00 0.00 O ATOM 1258 CB ASN A 83 -0.826 3.551 2.991 1.00 0.00 C ATOM 1259 CG ASN A 83 -0.976 2.092 2.594 1.00 0.00 C ATOM 1260 OD1 ASN A 83 -1.650 1.842 1.484 1.00 0.00 O flip ATOM 1261 ND2 ASN A 83 -0.504 1.195 3.290 1.00 0.00 N flip ATOM 0 H ASN A 83 1.305 4.342 1.508 1.00 0.00 H new ATOM 0 HA ASN A 83 -1.627 4.333 1.149 1.00 0.00 H new ATOM 0 HB2 ASN A 83 0.080 3.666 3.585 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -1.663 3.834 3.629 1.00 0.00 H new ATOM 0 HD21 ASN A 83 0.010 1.426 4.140 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -0.627 0.220 3.017 1.00 0.00 H new ATOM 1268 N LYS A 84 -1.896 6.294 2.953 1.00 0.00 N ATOM 1269 CA LYS A 84 -1.996 7.570 3.640 1.00 0.00 C ATOM 1270 C LYS A 84 -1.763 7.341 5.125 1.00 0.00 C ATOM 1271 O LYS A 84 -1.087 8.120 5.797 1.00 0.00 O ATOM 1272 CB LYS A 84 -3.373 8.206 3.422 1.00 0.00 C ATOM 1273 CG LYS A 84 -3.536 9.551 4.118 1.00 0.00 C ATOM 1274 CD LYS A 84 -4.979 10.025 4.115 1.00 0.00 C ATOM 1275 CE LYS A 84 -5.487 10.318 2.710 1.00 0.00 C ATOM 1276 NZ LYS A 84 -6.913 10.737 2.724 1.00 0.00 N ATOM 0 H LYS A 84 -2.727 5.707 3.034 1.00 0.00 H new ATOM 0 HA LYS A 84 -1.245 8.251 3.239 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -3.539 8.336 2.353 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -4.142 7.523 3.783 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -3.183 9.472 5.146 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -2.910 10.293 3.623 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -5.610 9.265 4.576 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -5.065 10.924 4.725 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -4.880 11.103 2.259 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -5.373 9.430 2.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -7.223 10.945 1.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -7.496 9.971 3.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -7.019 11.589 3.312 1.00 0.00 H new ATOM 1290 N LYS A 85 -2.333 6.252 5.624 1.00 0.00 N ATOM 1291 CA LYS A 85 -2.166 5.855 7.012 1.00 0.00 C ATOM 1292 C LYS A 85 -1.643 4.431 7.099 1.00 0.00 C ATOM 1293 O LYS A 85 -2.319 3.483 6.691 1.00 0.00 O ATOM 1294 CB LYS A 85 -3.490 5.982 7.771 1.00 0.00 C ATOM 1295 CG LYS A 85 -3.855 7.418 8.103 1.00 0.00 C ATOM 1296 CD LYS A 85 -2.801 8.044 8.997 1.00 0.00 C ATOM 1297 CE LYS A 85 -3.034 9.530 9.197 1.00 0.00 C ATOM 1298 NZ LYS A 85 -1.950 10.141 10.007 1.00 0.00 N ATOM 0 H LYS A 85 -2.922 5.622 5.079 1.00 0.00 H new ATOM 0 HA LYS A 85 -1.437 6.522 7.473 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -4.287 5.540 7.173 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -3.428 5.407 8.695 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -3.950 7.996 7.184 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -4.825 7.447 8.600 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -2.803 7.543 9.965 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -1.815 7.887 8.559 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -3.090 10.025 8.228 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -3.993 9.687 9.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -2.137 11.157 10.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -1.914 9.683 10.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -1.039 10.011 9.522 1.00 0.00 H new ATOM 1312 N THR A 86 -0.428 4.291 7.608 1.00 0.00 N ATOM 1313 CA THR A 86 0.184 2.987 7.776 1.00 0.00 C ATOM 1314 C THR A 86 -0.331 2.328 9.053 1.00 0.00 C ATOM 1315 O THR A 86 -0.771 3.007 9.983 1.00 0.00 O ATOM 1316 CB THR A 86 1.731 3.088 7.821 1.00 0.00 C ATOM 1317 OG1 THR A 86 2.322 1.781 7.798 1.00 0.00 O ATOM 1318 CG2 THR A 86 2.199 3.833 9.066 1.00 0.00 C ATOM 0 H THR A 86 0.154 5.071 7.913 1.00 0.00 H new ATOM 0 HA THR A 86 -0.089 2.376 6.916 1.00 0.00 H new ATOM 0 HB THR A 86 2.049 3.645 6.940 1.00 0.00 H new ATOM 0 HG1 THR A 86 3.281 1.852 7.985 1.00 0.00 H new ATOM 0 HG21 THR A 86 3.288 3.888 9.070 1.00 0.00 H new ATOM 0 HG22 THR A 86 1.785 4.841 9.064 1.00 0.00 H new ATOM 0 HG23 THR A 86 1.859 3.303 9.956 1.00 0.00 H new ATOM 1326 N GLU A 87 -0.287 1.007 9.085 1.00 0.00 N ATOM 1327 CA GLU A 87 -0.730 0.259 10.246 1.00 0.00 C ATOM 1328 C GLU A 87 0.391 -0.679 10.682 1.00 0.00 C ATOM 1329 O GLU A 87 1.093 -1.243 9.841 1.00 0.00 O ATOM 1330 CB GLU A 87 -2.004 -0.527 9.910 1.00 0.00 C ATOM 1331 CG GLU A 87 -2.930 -0.780 11.097 1.00 0.00 C ATOM 1332 CD GLU A 87 -2.289 -1.607 12.193 1.00 0.00 C ATOM 1333 OE1 GLU A 87 -2.106 -2.820 11.994 1.00 0.00 O ATOM 1334 OE2 GLU A 87 -1.950 -1.036 13.252 1.00 0.00 O ATOM 0 H GLU A 87 0.053 0.430 8.316 1.00 0.00 H new ATOM 0 HA GLU A 87 -0.964 0.941 11.064 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -2.558 0.016 9.144 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -1.719 -1.486 9.478 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -3.247 0.177 11.512 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -3.828 -1.288 10.746 1.00 0.00 H new ATOM 1341 N THR A 88 0.545 -0.836 11.987 1.00 0.00 N ATOM 1342 CA THR A 88 1.639 -1.602 12.562 1.00 0.00 C ATOM 1343 C THR A 88 1.680 -3.037 12.026 1.00 0.00 C ATOM 1344 O THR A 88 2.725 -3.500 11.563 1.00 0.00 O ATOM 1345 CB THR A 88 1.515 -1.630 14.098 1.00 0.00 C ATOM 1346 OG1 THR A 88 1.301 -0.295 14.586 1.00 0.00 O ATOM 1347 CG2 THR A 88 2.766 -2.216 14.740 1.00 0.00 C ATOM 0 H THR A 88 -0.087 -0.434 12.679 1.00 0.00 H new ATOM 0 HA THR A 88 2.567 -1.109 12.273 1.00 0.00 H new ATOM 0 HB THR A 88 0.668 -2.263 14.363 1.00 0.00 H new ATOM 0 HG1 THR A 88 1.220 -0.313 15.563 1.00 0.00 H new ATOM 0 HG21 THR A 88 2.650 -2.223 15.824 1.00 0.00 H new ATOM 0 HG22 THR A 88 2.914 -3.236 14.384 1.00 0.00 H new ATOM 0 HG23 THR A 88 3.631 -1.609 14.472 1.00 0.00 H new ATOM 1355 N ILE A 89 0.541 -3.721 12.061 1.00 0.00 N ATOM 1356 CA ILE A 89 0.474 -5.121 11.654 1.00 0.00 C ATOM 1357 C ILE A 89 0.777 -5.265 10.167 1.00 0.00 C ATOM 1358 O ILE A 89 1.559 -6.125 9.758 1.00 0.00 O ATOM 1359 CB ILE A 89 -0.917 -5.725 11.963 1.00 0.00 C ATOM 1360 CG1 ILE A 89 -1.216 -5.625 13.463 1.00 0.00 C ATOM 1361 CG2 ILE A 89 -0.995 -7.172 11.495 1.00 0.00 C ATOM 1362 CD1 ILE A 89 -2.593 -6.122 13.837 1.00 0.00 C ATOM 0 H ILE A 89 -0.349 -3.329 12.367 1.00 0.00 H new ATOM 0 HA ILE A 89 1.226 -5.666 12.225 1.00 0.00 H new ATOM 0 HB ILE A 89 -1.670 -5.154 11.419 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -0.470 -6.198 14.013 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -1.116 -4.586 13.777 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -1.982 -7.575 11.723 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -0.824 -7.216 10.419 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -0.235 -7.762 12.007 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -2.736 -6.022 14.913 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -3.347 -5.533 13.314 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -2.691 -7.170 13.554 1.00 0.00 H new ATOM 1374 N ILE A 90 0.178 -4.395 9.369 1.00 0.00 N ATOM 1375 CA ILE A 90 0.362 -4.423 7.924 1.00 0.00 C ATOM 1376 C ILE A 90 1.818 -4.132 7.559 1.00 0.00 C ATOM 1377 O ILE A 90 2.387 -4.771 6.672 1.00 0.00 O ATOM 1378 CB ILE A 90 -0.562 -3.398 7.230 1.00 0.00 C ATOM 1379 CG1 ILE A 90 -2.019 -3.644 7.643 1.00 0.00 C ATOM 1380 CG2 ILE A 90 -0.416 -3.478 5.713 1.00 0.00 C ATOM 1381 CD1 ILE A 90 -2.982 -2.592 7.141 1.00 0.00 C ATOM 0 H ILE A 90 -0.443 -3.656 9.699 1.00 0.00 H new ATOM 0 HA ILE A 90 0.101 -5.423 7.576 1.00 0.00 H new ATOM 0 HB ILE A 90 -0.270 -2.396 7.545 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -2.333 -4.619 7.269 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -2.076 -3.686 8.731 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -1.076 -2.747 5.245 1.00 0.00 H new ATOM 0 HG22 ILE A 90 0.616 -3.265 5.435 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -0.684 -4.479 5.374 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -3.991 -2.835 7.473 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -2.694 -1.618 7.536 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -2.955 -2.564 6.052 1.00 0.00 H new ATOM 1393 N ALA A 91 2.418 -3.177 8.268 1.00 0.00 N ATOM 1394 CA ALA A 91 3.809 -2.800 8.032 1.00 0.00 C ATOM 1395 C ALA A 91 4.745 -3.981 8.257 1.00 0.00 C ATOM 1396 O ALA A 91 5.683 -4.194 7.487 1.00 0.00 O ATOM 1397 CB ALA A 91 4.202 -1.634 8.930 1.00 0.00 C ATOM 0 H ALA A 91 1.961 -2.650 9.012 1.00 0.00 H new ATOM 0 HA ALA A 91 3.902 -2.490 6.991 1.00 0.00 H new ATOM 0 HB1 ALA A 91 5.241 -1.365 8.742 1.00 0.00 H new ATOM 0 HB2 ALA A 91 3.561 -0.778 8.717 1.00 0.00 H new ATOM 0 HB3 ALA A 91 4.085 -1.924 9.974 1.00 0.00 H new ATOM 1403 N VAL A 92 4.482 -4.748 9.310 1.00 0.00 N ATOM 1404 CA VAL A 92 5.277 -5.931 9.616 1.00 0.00 C ATOM 1405 C VAL A 92 5.180 -6.950 8.482 1.00 0.00 C ATOM 1406 O VAL A 92 6.189 -7.509 8.046 1.00 0.00 O ATOM 1407 CB VAL A 92 4.833 -6.588 10.942 1.00 0.00 C ATOM 1408 CG1 VAL A 92 5.647 -7.840 11.224 1.00 0.00 C ATOM 1409 CG2 VAL A 92 4.963 -5.605 12.095 1.00 0.00 C ATOM 0 H VAL A 92 3.722 -4.570 9.967 1.00 0.00 H new ATOM 0 HA VAL A 92 6.312 -5.607 9.725 1.00 0.00 H new ATOM 0 HB VAL A 92 3.786 -6.874 10.843 1.00 0.00 H new ATOM 0 HG11 VAL A 92 5.317 -8.285 12.162 1.00 0.00 H new ATOM 0 HG12 VAL A 92 5.507 -8.555 10.414 1.00 0.00 H new ATOM 0 HG13 VAL A 92 6.703 -7.579 11.298 1.00 0.00 H new ATOM 0 HG21 VAL A 92 4.646 -6.086 13.020 1.00 0.00 H new ATOM 0 HG22 VAL A 92 6.002 -5.289 12.188 1.00 0.00 H new ATOM 0 HG23 VAL A 92 4.335 -4.735 11.904 1.00 0.00 H new ATOM 1419 N GLY A 93 3.963 -7.165 7.993 1.00 0.00 N ATOM 1420 CA GLY A 93 3.752 -8.102 6.905 1.00 0.00 C ATOM 1421 C GLY A 93 4.469 -7.684 5.637 1.00 0.00 C ATOM 1422 O GLY A 93 5.121 -8.500 4.985 1.00 0.00 O ATOM 0 H GLY A 93 3.117 -6.706 8.332 1.00 0.00 H new ATOM 0 HA2 GLY A 93 4.100 -9.090 7.207 1.00 0.00 H new ATOM 0 HA3 GLY A 93 2.684 -8.187 6.704 1.00 0.00 H new ATOM 1426 N ALA A 94 4.367 -6.405 5.300 1.00 0.00 N ATOM 1427 CA ALA A 94 5.022 -5.875 4.113 1.00 0.00 C ATOM 1428 C ALA A 94 6.541 -5.907 4.262 1.00 0.00 C ATOM 1429 O ALA A 94 7.263 -6.061 3.279 1.00 0.00 O ATOM 1430 CB ALA A 94 4.542 -4.461 3.831 1.00 0.00 C ATOM 0 H ALA A 94 3.836 -5.716 5.833 1.00 0.00 H new ATOM 0 HA ALA A 94 4.756 -6.509 3.267 1.00 0.00 H new ATOM 0 HB1 ALA A 94 5.041 -4.078 2.941 1.00 0.00 H new ATOM 0 HB2 ALA A 94 3.464 -4.468 3.668 1.00 0.00 H new ATOM 0 HB3 ALA A 94 4.776 -3.821 4.682 1.00 0.00 H new ATOM 1436 N ALA A 95 7.021 -5.765 5.493 1.00 0.00 N ATOM 1437 CA ALA A 95 8.451 -5.848 5.771 1.00 0.00 C ATOM 1438 C ALA A 95 8.970 -7.258 5.494 1.00 0.00 C ATOM 1439 O ALA A 95 10.076 -7.430 4.980 1.00 0.00 O ATOM 1440 CB ALA A 95 8.737 -5.449 7.210 1.00 0.00 C ATOM 0 H ALA A 95 6.441 -5.592 6.314 1.00 0.00 H new ATOM 0 HA ALA A 95 8.971 -5.154 5.110 1.00 0.00 H new ATOM 0 HB1 ALA A 95 9.808 -5.517 7.400 1.00 0.00 H new ATOM 0 HB2 ALA A 95 8.403 -4.425 7.377 1.00 0.00 H new ATOM 0 HB3 ALA A 95 8.205 -6.119 7.886 1.00 0.00 H new ATOM 1446 N MET A 96 8.157 -8.262 5.830 1.00 0.00 N ATOM 1447 CA MET A 96 8.505 -9.658 5.562 1.00 0.00 C ATOM 1448 C MET A 96 8.592 -9.891 4.063 1.00 0.00 C ATOM 1449 O MET A 96 9.530 -10.514 3.561 1.00 0.00 O ATOM 1450 CB MET A 96 7.450 -10.619 6.120 1.00 0.00 C ATOM 1451 CG MET A 96 7.210 -10.522 7.613 1.00 0.00 C ATOM 1452 SD MET A 96 6.024 -11.759 8.176 1.00 0.00 S ATOM 1453 CE MET A 96 5.870 -11.327 9.904 1.00 0.00 C ATOM 0 H MET A 96 7.254 -8.134 6.288 1.00 0.00 H new ATOM 0 HA MET A 96 9.463 -9.849 6.046 1.00 0.00 H new ATOM 0 HB2 MET A 96 6.507 -10.436 5.605 1.00 0.00 H new ATOM 0 HB3 MET A 96 7.750 -11.640 5.883 1.00 0.00 H new ATOM 0 HG2 MET A 96 8.153 -10.654 8.143 1.00 0.00 H new ATOM 0 HG3 MET A 96 6.842 -9.526 7.859 1.00 0.00 H new ATOM 0 HE1 MET A 96 5.875 -12.234 10.508 1.00 0.00 H new ATOM 0 HE2 MET A 96 6.706 -10.692 10.196 1.00 0.00 H new ATOM 0 HE3 MET A 96 4.934 -10.791 10.063 1.00 0.00 H new ATOM 1463 N ALA A 97 7.592 -9.381 3.358 1.00 0.00 N ATOM 1464 CA ALA A 97 7.466 -9.591 1.926 1.00 0.00 C ATOM 1465 C ALA A 97 8.372 -8.655 1.138 1.00 0.00 C ATOM 1466 O ALA A 97 8.414 -8.718 -0.088 1.00 0.00 O ATOM 1467 CB ALA A 97 6.019 -9.407 1.507 1.00 0.00 C ATOM 0 H ALA A 97 6.848 -8.812 3.763 1.00 0.00 H new ATOM 0 HA ALA A 97 7.781 -10.611 1.704 1.00 0.00 H new ATOM 0 HB1 ALA A 97 5.928 -9.565 0.432 1.00 0.00 H new ATOM 0 HB2 ALA A 97 5.393 -10.127 2.034 1.00 0.00 H new ATOM 0 HB3 ALA A 97 5.695 -8.396 1.753 1.00 0.00 H new ATOM 1473 N GLU A 98 9.094 -7.789 1.850 1.00 0.00 N ATOM 1474 CA GLU A 98 10.007 -6.837 1.222 1.00 0.00 C ATOM 1475 C GLU A 98 9.253 -5.932 0.249 1.00 0.00 C ATOM 1476 O GLU A 98 9.726 -5.640 -0.847 1.00 0.00 O ATOM 1477 CB GLU A 98 11.140 -7.578 0.507 1.00 0.00 C ATOM 1478 CG GLU A 98 12.011 -8.391 1.447 1.00 0.00 C ATOM 1479 CD GLU A 98 13.093 -9.153 0.719 1.00 0.00 C ATOM 1480 OE1 GLU A 98 14.086 -8.522 0.295 1.00 0.00 O ATOM 1481 OE2 GLU A 98 12.966 -10.388 0.582 1.00 0.00 O ATOM 0 H GLU A 98 9.063 -7.728 2.868 1.00 0.00 H new ATOM 0 HA GLU A 98 10.444 -6.210 2.000 1.00 0.00 H new ATOM 0 HB2 GLU A 98 10.713 -8.240 -0.246 1.00 0.00 H new ATOM 0 HB3 GLU A 98 11.762 -6.855 -0.020 1.00 0.00 H new ATOM 0 HG2 GLU A 98 12.469 -7.726 2.179 1.00 0.00 H new ATOM 0 HG3 GLU A 98 11.387 -9.092 2.000 1.00 0.00 H new ATOM 1488 N ILE A 99 8.086 -5.476 0.688 1.00 0.00 N ATOM 1489 CA ILE A 99 7.220 -4.616 -0.107 1.00 0.00 C ATOM 1490 C ILE A 99 7.316 -3.179 0.398 1.00 0.00 C ATOM 1491 O ILE A 99 6.622 -2.807 1.347 1.00 0.00 O ATOM 1492 CB ILE A 99 5.744 -5.079 -0.067 1.00 0.00 C ATOM 1493 CG1 ILE A 99 5.621 -6.532 -0.540 1.00 0.00 C ATOM 1494 CG2 ILE A 99 4.870 -4.166 -0.919 1.00 0.00 C ATOM 1495 CD1 ILE A 99 6.131 -6.769 -1.948 1.00 0.00 C ATOM 0 H ILE A 99 7.712 -5.694 1.612 1.00 0.00 H new ATOM 0 HA ILE A 99 7.560 -4.676 -1.141 1.00 0.00 H new ATOM 0 HB ILE A 99 5.397 -5.022 0.965 1.00 0.00 H new ATOM 0 HG12 ILE A 99 6.171 -7.175 0.147 1.00 0.00 H new ATOM 0 HG13 ILE A 99 4.574 -6.832 -0.489 1.00 0.00 H new ATOM 0 HG21 ILE A 99 3.836 -4.509 -0.877 1.00 0.00 H new ATOM 0 HG22 ILE A 99 4.930 -3.146 -0.538 1.00 0.00 H new ATOM 0 HG23 ILE A 99 5.218 -4.189 -1.952 1.00 0.00 H new ATOM 0 HD11 ILE A 99 6.009 -7.821 -2.207 1.00 0.00 H new ATOM 0 HD12 ILE A 99 5.565 -6.155 -2.648 1.00 0.00 H new ATOM 0 HD13 ILE A 99 7.186 -6.502 -2.002 1.00 0.00 H new ATOM 1507 N PRO A 100 8.242 -2.386 -0.173 1.00 0.00 N ATOM 1508 CA PRO A 100 8.503 -1.004 0.254 1.00 0.00 C ATOM 1509 C PRO A 100 7.230 -0.171 0.359 1.00 0.00 C ATOM 1510 O PRO A 100 6.685 0.288 -0.647 1.00 0.00 O ATOM 1511 CB PRO A 100 9.425 -0.441 -0.842 1.00 0.00 C ATOM 1512 CG PRO A 100 9.373 -1.430 -1.957 1.00 0.00 C ATOM 1513 CD PRO A 100 9.080 -2.755 -1.321 1.00 0.00 C ATOM 0 HA PRO A 100 8.944 -0.974 1.250 1.00 0.00 H new ATOM 0 HB2 PRO A 100 9.086 0.541 -1.173 1.00 0.00 H new ATOM 0 HB3 PRO A 100 10.443 -0.319 -0.473 1.00 0.00 H new ATOM 0 HG2 PRO A 100 8.600 -1.164 -2.678 1.00 0.00 H new ATOM 0 HG3 PRO A 100 10.319 -1.458 -2.498 1.00 0.00 H new ATOM 0 HD2 PRO A 100 8.558 -3.425 -2.004 1.00 0.00 H new ATOM 0 HD3 PRO A 100 9.992 -3.265 -1.009 1.00 0.00 H new ATOM 1521 N LEU A 101 6.738 -0.004 1.579 1.00 0.00 N ATOM 1522 CA LEU A 101 5.539 0.774 1.797 1.00 0.00 C ATOM 1523 C LEU A 101 5.902 2.149 2.332 1.00 0.00 C ATOM 1524 O LEU A 101 6.783 2.292 3.191 1.00 0.00 O ATOM 1525 CB LEU A 101 4.574 0.041 2.747 1.00 0.00 C ATOM 1526 CG LEU A 101 4.867 0.155 4.246 1.00 0.00 C ATOM 1527 CD1 LEU A 101 4.103 1.320 4.857 1.00 0.00 C ATOM 1528 CD2 LEU A 101 4.509 -1.138 4.953 1.00 0.00 C ATOM 0 H LEU A 101 7.152 -0.397 2.425 1.00 0.00 H new ATOM 0 HA LEU A 101 5.025 0.901 0.844 1.00 0.00 H new ATOM 0 HB2 LEU A 101 3.567 0.418 2.567 1.00 0.00 H new ATOM 0 HB3 LEU A 101 4.571 -1.016 2.480 1.00 0.00 H new ATOM 0 HG LEU A 101 5.934 0.340 4.373 1.00 0.00 H new ATOM 0 HD11 LEU A 101 4.326 1.383 5.922 1.00 0.00 H new ATOM 0 HD12 LEU A 101 4.402 2.247 4.369 1.00 0.00 H new ATOM 0 HD13 LEU A 101 3.033 1.166 4.719 1.00 0.00 H new ATOM 0 HD21 LEU A 101 4.723 -1.042 6.018 1.00 0.00 H new ATOM 0 HD22 LEU A 101 3.448 -1.348 4.813 1.00 0.00 H new ATOM 0 HD23 LEU A 101 5.098 -1.955 4.537 1.00 0.00 H new ATOM 1540 N VAL A 102 5.240 3.156 1.801 1.00 0.00 N ATOM 1541 CA VAL A 102 5.447 4.529 2.221 1.00 0.00 C ATOM 1542 C VAL A 102 4.094 5.199 2.391 1.00 0.00 C ATOM 1543 O VAL A 102 3.097 4.728 1.840 1.00 0.00 O ATOM 1544 CB VAL A 102 6.296 5.322 1.200 1.00 0.00 C ATOM 1545 CG1 VAL A 102 7.684 4.717 1.052 1.00 0.00 C ATOM 1546 CG2 VAL A 102 5.606 5.376 -0.152 1.00 0.00 C ATOM 0 H VAL A 102 4.542 3.047 1.065 1.00 0.00 H new ATOM 0 HA VAL A 102 5.992 4.521 3.165 1.00 0.00 H new ATOM 0 HB VAL A 102 6.402 6.338 1.580 1.00 0.00 H new ATOM 0 HG11 VAL A 102 8.258 5.295 0.328 1.00 0.00 H new ATOM 0 HG12 VAL A 102 8.193 4.734 2.016 1.00 0.00 H new ATOM 0 HG13 VAL A 102 7.597 3.687 0.706 1.00 0.00 H new ATOM 0 HG21 VAL A 102 6.222 5.939 -0.853 1.00 0.00 H new ATOM 0 HG22 VAL A 102 5.462 4.363 -0.528 1.00 0.00 H new ATOM 0 HG23 VAL A 102 4.638 5.865 -0.047 1.00 0.00 H new ATOM 1556 N GLU A 103 4.043 6.277 3.150 1.00 0.00 N ATOM 1557 CA GLU A 103 2.779 6.954 3.378 1.00 0.00 C ATOM 1558 C GLU A 103 2.821 8.405 2.913 1.00 0.00 C ATOM 1559 O GLU A 103 3.797 9.125 3.142 1.00 0.00 O ATOM 1560 CB GLU A 103 2.379 6.902 4.854 1.00 0.00 C ATOM 1561 CG GLU A 103 3.376 7.567 5.783 1.00 0.00 C ATOM 1562 CD GLU A 103 2.808 7.793 7.166 1.00 0.00 C ATOM 1563 OE1 GLU A 103 2.664 6.812 7.918 1.00 0.00 O ATOM 1564 OE2 GLU A 103 2.525 8.960 7.514 1.00 0.00 O ATOM 0 H GLU A 103 4.848 6.698 3.613 1.00 0.00 H new ATOM 0 HA GLU A 103 2.031 6.424 2.788 1.00 0.00 H new ATOM 0 HB2 GLU A 103 1.408 7.382 4.975 1.00 0.00 H new ATOM 0 HB3 GLU A 103 2.258 5.860 5.151 1.00 0.00 H new ATOM 0 HG2 GLU A 103 4.270 6.948 5.856 1.00 0.00 H new ATOM 0 HG3 GLU A 103 3.684 8.522 5.358 1.00 0.00 H new ATOM 1571 N VAL A 104 1.761 8.806 2.231 1.00 0.00 N ATOM 1572 CA VAL A 104 1.531 10.198 1.893 1.00 0.00 C ATOM 1573 C VAL A 104 0.266 10.657 2.601 1.00 0.00 C ATOM 1574 O VAL A 104 -0.845 10.305 2.205 1.00 0.00 O ATOM 1575 CB VAL A 104 1.376 10.421 0.373 1.00 0.00 C ATOM 1576 CG1 VAL A 104 1.285 11.909 0.059 1.00 0.00 C ATOM 1577 CG2 VAL A 104 2.523 9.779 -0.395 1.00 0.00 C ATOM 0 H VAL A 104 1.035 8.173 1.896 1.00 0.00 H new ATOM 0 HA VAL A 104 2.399 10.774 2.214 1.00 0.00 H new ATOM 0 HB VAL A 104 0.450 9.942 0.054 1.00 0.00 H new ATOM 0 HG11 VAL A 104 1.176 12.048 -1.017 1.00 0.00 H new ATOM 0 HG12 VAL A 104 0.422 12.336 0.569 1.00 0.00 H new ATOM 0 HG13 VAL A 104 2.192 12.409 0.399 1.00 0.00 H new ATOM 0 HG21 VAL A 104 2.388 9.952 -1.463 1.00 0.00 H new ATOM 0 HG22 VAL A 104 3.467 10.218 -0.073 1.00 0.00 H new ATOM 0 HG23 VAL A 104 2.536 8.707 -0.200 1.00 0.00 H new ATOM 1587 N ARG A 105 0.443 11.435 3.653 1.00 0.00 N ATOM 1588 CA ARG A 105 -0.654 11.794 4.545 1.00 0.00 C ATOM 1589 C ARG A 105 -1.447 12.989 4.022 1.00 0.00 C ATOM 1590 O ARG A 105 -1.941 13.805 4.796 1.00 0.00 O ATOM 1591 CB ARG A 105 -0.106 12.076 5.950 1.00 0.00 C ATOM 1592 CG ARG A 105 1.049 13.063 5.983 1.00 0.00 C ATOM 1593 CD ARG A 105 1.642 13.175 7.378 1.00 0.00 C ATOM 1594 NE ARG A 105 2.717 14.163 7.441 1.00 0.00 N ATOM 1595 CZ ARG A 105 3.836 14.010 8.152 1.00 0.00 C ATOM 1596 NH1 ARG A 105 4.040 12.898 8.851 1.00 0.00 N ATOM 1597 NH2 ARG A 105 4.758 14.965 8.161 1.00 0.00 N ATOM 0 H ARG A 105 1.343 11.836 3.916 1.00 0.00 H new ATOM 0 HA ARG A 105 -1.344 10.951 4.590 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -0.914 12.459 6.573 1.00 0.00 H new ATOM 0 HB3 ARG A 105 0.221 11.136 6.395 1.00 0.00 H new ATOM 0 HG2 ARG A 105 1.821 12.746 5.282 1.00 0.00 H new ATOM 0 HG3 ARG A 105 0.702 14.042 5.653 1.00 0.00 H new ATOM 0 HD2 ARG A 105 0.858 13.448 8.084 1.00 0.00 H new ATOM 0 HD3 ARG A 105 2.025 12.203 7.688 1.00 0.00 H new ATOM 0 HE ARG A 105 2.605 15.025 6.907 1.00 0.00 H new ATOM 0 HH11 ARG A 105 3.340 12.157 8.846 1.00 0.00 H new ATOM 0 HH12 ARG A 105 4.897 12.786 9.393 1.00 0.00 H new ATOM 0 HH21 ARG A 105 4.612 15.819 7.623 1.00 0.00 H new ATOM 0 HH22 ARG A 105 5.612 14.844 8.706 1.00 0.00 H new ATOM 1611 N ASP A 106 -1.596 13.067 2.709 1.00 0.00 N ATOM 1612 CA ASP A 106 -2.392 14.124 2.100 1.00 0.00 C ATOM 1613 C ASP A 106 -3.241 13.570 0.959 1.00 0.00 C ATOM 1614 O ASP A 106 -2.820 12.660 0.241 1.00 0.00 O ATOM 1615 CB ASP A 106 -1.504 15.261 1.596 1.00 0.00 C ATOM 1616 CG ASP A 106 -2.300 16.524 1.344 1.00 0.00 C ATOM 1617 OD1 ASP A 106 -3.004 16.590 0.321 1.00 0.00 O ATOM 1618 OD2 ASP A 106 -2.242 17.450 2.180 1.00 0.00 O ATOM 0 H ASP A 106 -1.178 12.414 2.046 1.00 0.00 H new ATOM 0 HA ASP A 106 -3.056 14.524 2.866 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -0.722 15.464 2.328 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -1.007 14.954 0.676 1.00 0.00 H new ATOM 1623 N GLU A 107 -4.438 14.129 0.807 1.00 0.00 N ATOM 1624 CA GLU A 107 -5.402 13.671 -0.190 1.00 0.00 C ATOM 1625 C GLU A 107 -4.953 14.040 -1.601 1.00 0.00 C ATOM 1626 O GLU A 107 -5.340 13.395 -2.576 1.00 0.00 O ATOM 1627 CB GLU A 107 -6.768 14.297 0.101 1.00 0.00 C ATOM 1628 CG GLU A 107 -7.909 13.735 -0.736 1.00 0.00 C ATOM 1629 CD GLU A 107 -8.121 12.254 -0.511 1.00 0.00 C ATOM 1630 OE1 GLU A 107 -8.185 11.833 0.665 1.00 0.00 O ATOM 1631 OE2 GLU A 107 -8.235 11.506 -1.505 1.00 0.00 O ATOM 0 H GLU A 107 -4.768 14.912 1.371 1.00 0.00 H new ATOM 0 HA GLU A 107 -5.472 12.585 -0.132 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -7.002 14.153 1.156 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -6.705 15.372 -0.068 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -8.828 14.270 -0.497 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -7.702 13.912 -1.791 1.00 0.00 H new ATOM 1638 N LYS A 108 -4.121 15.071 -1.701 1.00 0.00 N ATOM 1639 CA LYS A 108 -3.676 15.577 -2.993 1.00 0.00 C ATOM 1640 C LYS A 108 -2.929 14.508 -3.788 1.00 0.00 C ATOM 1641 O LYS A 108 -2.953 14.513 -5.020 1.00 0.00 O ATOM 1642 CB LYS A 108 -2.796 16.806 -2.797 1.00 0.00 C ATOM 1643 CG LYS A 108 -3.558 18.022 -2.302 1.00 0.00 C ATOM 1644 CD LYS A 108 -2.623 19.176 -1.993 1.00 0.00 C ATOM 1645 CE LYS A 108 -3.378 20.358 -1.406 1.00 0.00 C ATOM 1646 NZ LYS A 108 -2.468 21.473 -1.038 1.00 0.00 N ATOM 0 H LYS A 108 -3.740 15.574 -0.899 1.00 0.00 H new ATOM 0 HA LYS A 108 -4.559 15.857 -3.567 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -2.006 16.568 -2.085 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -2.311 17.051 -3.742 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -4.282 18.331 -3.056 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -4.122 17.760 -1.407 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -1.856 18.847 -1.292 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -2.111 19.485 -2.904 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -4.113 20.713 -2.128 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -3.929 20.034 -0.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -3.023 22.258 -0.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -1.782 21.142 -0.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -1.960 21.801 -1.885 1.00 0.00 H new ATOM 1660 N PHE A 109 -2.280 13.592 -3.083 1.00 0.00 N ATOM 1661 CA PHE A 109 -1.578 12.491 -3.729 1.00 0.00 C ATOM 1662 C PHE A 109 -2.555 11.635 -4.524 1.00 0.00 C ATOM 1663 O PHE A 109 -2.318 11.320 -5.689 1.00 0.00 O ATOM 1664 CB PHE A 109 -0.860 11.636 -2.682 1.00 0.00 C ATOM 1665 CG PHE A 109 -0.143 10.446 -3.256 1.00 0.00 C ATOM 1666 CD1 PHE A 109 1.014 10.612 -3.996 1.00 0.00 C ATOM 1667 CD2 PHE A 109 -0.623 9.164 -3.047 1.00 0.00 C ATOM 1668 CE1 PHE A 109 1.681 9.521 -4.521 1.00 0.00 C ATOM 1669 CE2 PHE A 109 0.038 8.068 -3.571 1.00 0.00 C ATOM 1670 CZ PHE A 109 1.191 8.248 -4.307 1.00 0.00 C ATOM 0 H PHE A 109 -2.225 13.589 -2.065 1.00 0.00 H new ATOM 0 HA PHE A 109 -0.838 12.904 -4.414 1.00 0.00 H new ATOM 0 HB2 PHE A 109 -0.141 12.259 -2.149 1.00 0.00 H new ATOM 0 HB3 PHE A 109 -1.588 11.290 -1.948 1.00 0.00 H new ATOM 0 HD1 PHE A 109 1.401 11.606 -4.166 1.00 0.00 H new ATOM 0 HD2 PHE A 109 -1.523 9.018 -2.469 1.00 0.00 H new ATOM 0 HE1 PHE A 109 2.583 9.664 -5.097 1.00 0.00 H new ATOM 0 HE2 PHE A 109 -0.348 7.073 -3.404 1.00 0.00 H new ATOM 0 HZ PHE A 109 1.710 7.394 -4.716 1.00 0.00 H new ATOM 1680 N PHE A 110 -3.678 11.308 -3.896 1.00 0.00 N ATOM 1681 CA PHE A 110 -4.675 10.422 -4.487 1.00 0.00 C ATOM 1682 C PHE A 110 -5.422 11.111 -5.623 1.00 0.00 C ATOM 1683 O PHE A 110 -6.010 10.457 -6.482 1.00 0.00 O ATOM 1684 CB PHE A 110 -5.667 9.959 -3.418 1.00 0.00 C ATOM 1685 CG PHE A 110 -5.037 9.131 -2.333 1.00 0.00 C ATOM 1686 CD1 PHE A 110 -4.448 9.736 -1.234 1.00 0.00 C ATOM 1687 CD2 PHE A 110 -5.032 7.748 -2.413 1.00 0.00 C ATOM 1688 CE1 PHE A 110 -3.865 8.979 -0.238 1.00 0.00 C ATOM 1689 CE2 PHE A 110 -4.450 6.985 -1.419 1.00 0.00 C ATOM 1690 CZ PHE A 110 -3.866 7.601 -0.330 1.00 0.00 C ATOM 0 H PHE A 110 -3.923 11.648 -2.966 1.00 0.00 H new ATOM 0 HA PHE A 110 -4.155 9.556 -4.897 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -6.139 10.833 -2.969 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -6.457 9.379 -3.894 1.00 0.00 H new ATOM 0 HD1 PHE A 110 -4.445 10.813 -1.156 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -5.488 7.261 -3.262 1.00 0.00 H new ATOM 0 HE1 PHE A 110 -3.409 9.464 0.612 1.00 0.00 H new ATOM 0 HE2 PHE A 110 -4.452 5.908 -1.494 1.00 0.00 H new ATOM 0 HZ PHE A 110 -3.411 7.006 0.448 1.00 0.00 H new ATOM 1700 N GLU A 111 -5.420 12.433 -5.595 1.00 0.00 N ATOM 1701 CA GLU A 111 -6.048 13.229 -6.625 1.00 0.00 C ATOM 1702 C GLU A 111 -5.167 13.323 -7.870 1.00 0.00 C ATOM 1703 O GLU A 111 -5.661 13.324 -9.001 1.00 0.00 O ATOM 1704 CB GLU A 111 -6.316 14.615 -6.068 1.00 0.00 C ATOM 1705 CG GLU A 111 -7.558 14.692 -5.201 1.00 0.00 C ATOM 1706 CD GLU A 111 -8.827 14.374 -5.966 1.00 0.00 C ATOM 1707 OE1 GLU A 111 -9.278 15.232 -6.756 1.00 0.00 O ATOM 1708 OE2 GLU A 111 -9.380 13.271 -5.778 1.00 0.00 O ATOM 0 H GLU A 111 -4.981 12.981 -4.855 1.00 0.00 H new ATOM 0 HA GLU A 111 -6.983 12.754 -6.922 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -5.454 14.935 -5.482 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -6.417 15.317 -6.896 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -7.458 13.997 -4.367 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -7.637 15.692 -4.775 1.00 0.00 H new ATOM 1715 N ALA A 112 -3.860 13.400 -7.653 1.00 0.00 N ATOM 1716 CA ALA A 112 -2.907 13.573 -8.744 1.00 0.00 C ATOM 1717 C ALA A 112 -2.605 12.252 -9.451 1.00 0.00 C ATOM 1718 O ALA A 112 -2.534 12.201 -10.684 1.00 0.00 O ATOM 1719 CB ALA A 112 -1.622 14.200 -8.223 1.00 0.00 C ATOM 0 H ALA A 112 -3.434 13.345 -6.728 1.00 0.00 H new ATOM 0 HA ALA A 112 -3.361 14.240 -9.477 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -0.918 14.324 -9.046 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -1.844 15.173 -7.785 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -1.183 13.552 -7.464 1.00 0.00 H new ATOM 1725 N VAL A 113 -2.429 11.187 -8.677 1.00 0.00 N ATOM 1726 CA VAL A 113 -2.093 9.889 -9.244 1.00 0.00 C ATOM 1727 C VAL A 113 -3.349 9.207 -9.794 1.00 0.00 C ATOM 1728 O VAL A 113 -4.420 9.268 -9.190 1.00 0.00 O ATOM 1729 CB VAL A 113 -1.383 8.979 -8.207 1.00 0.00 C ATOM 1730 CG1 VAL A 113 -2.311 8.602 -7.062 1.00 0.00 C ATOM 1731 CG2 VAL A 113 -0.818 7.739 -8.880 1.00 0.00 C ATOM 0 H VAL A 113 -2.513 11.198 -7.661 1.00 0.00 H new ATOM 0 HA VAL A 113 -1.395 10.054 -10.065 1.00 0.00 H new ATOM 0 HB VAL A 113 -0.556 9.546 -7.781 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -1.778 7.965 -6.357 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -2.646 9.506 -6.553 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -3.174 8.065 -7.455 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -0.324 7.114 -8.136 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -1.627 7.177 -9.346 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -0.096 8.035 -9.641 1.00 0.00 H new ATOM 1741 N LYS A 114 -3.217 8.586 -10.960 1.00 0.00 N ATOM 1742 CA LYS A 114 -4.346 7.947 -11.623 1.00 0.00 C ATOM 1743 C LYS A 114 -4.043 6.475 -11.867 1.00 0.00 C ATOM 1744 O LYS A 114 -2.881 6.095 -12.019 1.00 0.00 O ATOM 1745 CB LYS A 114 -4.619 8.631 -12.957 1.00 0.00 C ATOM 1746 CG LYS A 114 -4.556 10.143 -12.882 1.00 0.00 C ATOM 1747 CD LYS A 114 -4.583 10.749 -14.266 1.00 0.00 C ATOM 1748 CE LYS A 114 -3.785 12.040 -14.315 1.00 0.00 C ATOM 1749 NZ LYS A 114 -2.392 11.839 -13.825 1.00 0.00 N ATOM 0 H LYS A 114 -2.335 8.512 -11.467 1.00 0.00 H new ATOM 0 HA LYS A 114 -5.223 8.035 -10.982 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -3.894 8.281 -13.692 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -5.605 8.333 -13.315 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -5.397 10.518 -12.299 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -3.647 10.449 -12.364 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -4.175 10.039 -14.985 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -5.614 10.944 -14.561 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -3.761 12.416 -15.338 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -4.280 12.798 -13.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -1.727 12.325 -14.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -2.302 12.229 -12.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -2.173 10.822 -13.808 1.00 0.00 H new ATOM 1763 N THR A 115 -5.079 5.651 -11.905 1.00 0.00 N ATOM 1764 CA THR A 115 -4.907 4.240 -12.203 1.00 0.00 C ATOM 1765 C THR A 115 -4.557 4.059 -13.676 1.00 0.00 C ATOM 1766 O THR A 115 -5.436 4.042 -14.543 1.00 0.00 O ATOM 1767 CB THR A 115 -6.177 3.436 -11.866 1.00 0.00 C ATOM 1768 OG1 THR A 115 -6.564 3.692 -10.512 1.00 0.00 O ATOM 1769 CG2 THR A 115 -5.947 1.943 -12.051 1.00 0.00 C ATOM 0 H THR A 115 -6.044 5.935 -11.734 1.00 0.00 H new ATOM 0 HA THR A 115 -4.093 3.862 -11.584 1.00 0.00 H new ATOM 0 HB THR A 115 -6.969 3.751 -12.546 1.00 0.00 H new ATOM 0 HG1 THR A 115 -7.373 3.181 -10.301 1.00 0.00 H new ATOM 0 HG21 THR A 115 -6.860 1.401 -11.806 1.00 0.00 H new ATOM 0 HG22 THR A 115 -5.673 1.743 -13.087 1.00 0.00 H new ATOM 0 HG23 THR A 115 -5.143 1.615 -11.393 1.00 0.00 H new ATOM 1777 N GLY A 116 -3.268 3.957 -13.954 1.00 0.00 N ATOM 1778 CA GLY A 116 -2.815 3.838 -15.322 1.00 0.00 C ATOM 1779 C GLY A 116 -1.494 4.544 -15.553 1.00 0.00 C ATOM 1780 O GLY A 116 -0.793 4.250 -16.519 1.00 0.00 O ATOM 0 H GLY A 116 -2.526 3.955 -13.255 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -2.711 2.784 -15.578 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -3.569 4.255 -15.990 1.00 0.00 H new ATOM 1784 N ASP A 117 -1.156 5.478 -14.669 1.00 0.00 N ATOM 1785 CA ASP A 117 0.117 6.190 -14.766 1.00 0.00 C ATOM 1786 C ASP A 117 1.254 5.317 -14.252 1.00 0.00 C ATOM 1787 O ASP A 117 1.021 4.285 -13.614 1.00 0.00 O ATOM 1788 CB ASP A 117 0.078 7.518 -13.992 1.00 0.00 C ATOM 1789 CG ASP A 117 -0.740 8.588 -14.695 1.00 0.00 C ATOM 1790 OD1 ASP A 117 -0.617 8.718 -15.932 1.00 0.00 O ATOM 1791 OD2 ASP A 117 -1.491 9.318 -14.009 1.00 0.00 O ATOM 0 H ASP A 117 -1.740 5.759 -13.882 1.00 0.00 H new ATOM 0 HA ASP A 117 0.290 6.418 -15.818 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -0.338 7.343 -13.000 1.00 0.00 H new ATOM 0 HB3 ASP A 117 1.096 7.880 -13.851 1.00 0.00 H new ATOM 1796 N ARG A 118 2.485 5.728 -14.526 1.00 0.00 N ATOM 1797 CA ARG A 118 3.652 4.944 -14.149 1.00 0.00 C ATOM 1798 C ARG A 118 4.374 5.616 -12.994 1.00 0.00 C ATOM 1799 O ARG A 118 4.812 6.762 -13.092 1.00 0.00 O ATOM 1800 CB ARG A 118 4.591 4.793 -15.347 1.00 0.00 C ATOM 1801 CG ARG A 118 5.552 3.608 -15.282 1.00 0.00 C ATOM 1802 CD ARG A 118 6.592 3.755 -14.180 1.00 0.00 C ATOM 1803 NE ARG A 118 7.289 5.040 -14.244 1.00 0.00 N ATOM 1804 CZ ARG A 118 8.571 5.174 -14.577 1.00 0.00 C ATOM 1805 NH1 ARG A 118 9.273 4.121 -14.973 1.00 0.00 N ATOM 1806 NH2 ARG A 118 9.143 6.365 -14.534 1.00 0.00 N ATOM 0 H ARG A 118 2.701 6.601 -15.008 1.00 0.00 H new ATOM 0 HA ARG A 118 3.329 3.952 -13.832 1.00 0.00 H new ATOM 0 HB2 ARG A 118 3.988 4.700 -16.250 1.00 0.00 H new ATOM 0 HB3 ARG A 118 5.175 5.708 -15.446 1.00 0.00 H new ATOM 0 HG2 ARG A 118 4.983 2.693 -15.119 1.00 0.00 H new ATOM 0 HG3 ARG A 118 6.058 3.503 -16.242 1.00 0.00 H new ATOM 0 HD2 ARG A 118 6.106 3.655 -13.209 1.00 0.00 H new ATOM 0 HD3 ARG A 118 7.318 2.946 -14.258 1.00 0.00 H new ATOM 0 HE ARG A 118 6.761 5.884 -14.020 1.00 0.00 H new ATOM 0 HH11 ARG A 118 8.831 3.203 -15.024 1.00 0.00 H new ATOM 0 HH12 ARG A 118 10.255 4.229 -15.227 1.00 0.00 H new ATOM 0 HH21 ARG A 118 8.602 7.180 -14.246 1.00 0.00 H new ATOM 0 HH22 ARG A 118 10.125 6.469 -14.789 1.00 0.00 H new ATOM 1820 N VAL A 119 4.527 4.884 -11.918 1.00 0.00 N ATOM 1821 CA VAL A 119 5.121 5.429 -10.713 1.00 0.00 C ATOM 1822 C VAL A 119 6.387 4.671 -10.329 1.00 0.00 C ATOM 1823 O VAL A 119 6.455 3.449 -10.463 1.00 0.00 O ATOM 1824 CB VAL A 119 4.118 5.393 -9.537 1.00 0.00 C ATOM 1825 CG1 VAL A 119 4.756 5.894 -8.257 1.00 0.00 C ATOM 1826 CG2 VAL A 119 2.883 6.217 -9.865 1.00 0.00 C ATOM 0 H VAL A 119 4.249 3.905 -11.848 1.00 0.00 H new ATOM 0 HA VAL A 119 5.385 6.466 -10.923 1.00 0.00 H new ATOM 0 HB VAL A 119 3.820 4.356 -9.384 1.00 0.00 H new ATOM 0 HG11 VAL A 119 4.026 5.857 -7.448 1.00 0.00 H new ATOM 0 HG12 VAL A 119 5.609 5.264 -8.005 1.00 0.00 H new ATOM 0 HG13 VAL A 119 5.092 6.922 -8.396 1.00 0.00 H new ATOM 0 HG21 VAL A 119 2.188 6.180 -9.026 1.00 0.00 H new ATOM 0 HG22 VAL A 119 3.174 7.251 -10.050 1.00 0.00 H new ATOM 0 HG23 VAL A 119 2.400 5.811 -10.754 1.00 0.00 H new ATOM 1836 N VAL A 120 7.394 5.415 -9.896 1.00 0.00 N ATOM 1837 CA VAL A 120 8.593 4.832 -9.315 1.00 0.00 C ATOM 1838 C VAL A 120 8.719 5.279 -7.868 1.00 0.00 C ATOM 1839 O VAL A 120 8.935 6.461 -7.587 1.00 0.00 O ATOM 1840 CB VAL A 120 9.873 5.228 -10.083 1.00 0.00 C ATOM 1841 CG1 VAL A 120 11.114 4.685 -9.384 1.00 0.00 C ATOM 1842 CG2 VAL A 120 9.814 4.728 -11.511 1.00 0.00 C ATOM 0 H VAL A 120 7.403 6.434 -9.937 1.00 0.00 H new ATOM 0 HA VAL A 120 8.494 3.748 -9.378 1.00 0.00 H new ATOM 0 HB VAL A 120 9.935 6.316 -10.098 1.00 0.00 H new ATOM 0 HG11 VAL A 120 12.003 4.976 -9.943 1.00 0.00 H new ATOM 0 HG12 VAL A 120 11.170 5.092 -8.374 1.00 0.00 H new ATOM 0 HG13 VAL A 120 11.057 3.598 -9.334 1.00 0.00 H new ATOM 0 HG21 VAL A 120 10.725 5.017 -12.036 1.00 0.00 H new ATOM 0 HG22 VAL A 120 9.723 3.642 -11.513 1.00 0.00 H new ATOM 0 HG23 VAL A 120 8.951 5.165 -12.014 1.00 0.00 H new ATOM 1852 N VAL A 121 8.558 4.345 -6.953 1.00 0.00 N ATOM 1853 CA VAL A 121 8.647 4.649 -5.537 1.00 0.00 C ATOM 1854 C VAL A 121 9.933 4.090 -4.959 1.00 0.00 C ATOM 1855 O VAL A 121 10.153 2.879 -4.972 1.00 0.00 O ATOM 1856 CB VAL A 121 7.457 4.073 -4.749 1.00 0.00 C ATOM 1857 CG1 VAL A 121 7.555 4.452 -3.278 1.00 0.00 C ATOM 1858 CG2 VAL A 121 6.142 4.553 -5.343 1.00 0.00 C ATOM 0 H VAL A 121 8.364 3.366 -7.164 1.00 0.00 H new ATOM 0 HA VAL A 121 8.632 5.735 -5.443 1.00 0.00 H new ATOM 0 HB VAL A 121 7.488 2.986 -4.823 1.00 0.00 H new ATOM 0 HG11 VAL A 121 6.705 4.036 -2.738 1.00 0.00 H new ATOM 0 HG12 VAL A 121 8.480 4.055 -2.861 1.00 0.00 H new ATOM 0 HG13 VAL A 121 7.550 5.538 -3.181 1.00 0.00 H new ATOM 0 HG21 VAL A 121 5.312 4.136 -4.773 1.00 0.00 H new ATOM 0 HG22 VAL A 121 6.100 5.641 -5.302 1.00 0.00 H new ATOM 0 HG23 VAL A 121 6.071 4.226 -6.380 1.00 0.00 H new ATOM 1868 N ASN A 122 10.779 4.971 -4.471 1.00 0.00 N ATOM 1869 CA ASN A 122 12.018 4.561 -3.831 1.00 0.00 C ATOM 1870 C ASN A 122 11.921 4.839 -2.343 1.00 0.00 C ATOM 1871 O ASN A 122 11.749 5.984 -1.927 1.00 0.00 O ATOM 1872 CB ASN A 122 13.219 5.291 -4.442 1.00 0.00 C ATOM 1873 CG ASN A 122 14.554 4.725 -3.980 1.00 0.00 C ATOM 1874 OD1 ASN A 122 15.057 3.752 -4.542 1.00 0.00 O ATOM 1875 ND2 ASN A 122 15.152 5.341 -2.975 1.00 0.00 N ATOM 0 H ASN A 122 10.634 5.980 -4.504 1.00 0.00 H new ATOM 0 HA ASN A 122 12.168 3.493 -3.992 1.00 0.00 H new ATOM 0 HB2 ASN A 122 13.161 5.230 -5.529 1.00 0.00 H new ATOM 0 HB3 ASN A 122 13.168 6.348 -4.179 1.00 0.00 H new ATOM 0 HD21 ASN A 122 16.059 5.013 -2.643 1.00 0.00 H new ATOM 0 HD22 ASN A 122 14.707 6.145 -2.532 1.00 0.00 H new ATOM 1882 N ALA A 123 12.002 3.790 -1.543 1.00 0.00 N ATOM 1883 CA ALA A 123 11.807 3.910 -0.109 1.00 0.00 C ATOM 1884 C ALA A 123 13.133 3.918 0.631 1.00 0.00 C ATOM 1885 O ALA A 123 13.168 3.858 1.859 1.00 0.00 O ATOM 1886 CB ALA A 123 10.923 2.783 0.397 1.00 0.00 C ATOM 0 H ALA A 123 12.202 2.843 -1.864 1.00 0.00 H new ATOM 0 HA ALA A 123 11.313 4.862 0.085 1.00 0.00 H new ATOM 0 HB1 ALA A 123 10.785 2.884 1.473 1.00 0.00 H new ATOM 0 HB2 ALA A 123 9.954 2.830 -0.100 1.00 0.00 H new ATOM 0 HB3 ALA A 123 11.395 1.825 0.181 1.00 0.00 H new ATOM 1892 N ASP A 124 14.231 3.984 -0.114 1.00 0.00 N ATOM 1893 CA ASP A 124 15.548 4.082 0.504 1.00 0.00 C ATOM 1894 C ASP A 124 15.666 5.399 1.253 1.00 0.00 C ATOM 1895 O ASP A 124 16.198 5.449 2.363 1.00 0.00 O ATOM 1896 CB ASP A 124 16.671 3.960 -0.529 1.00 0.00 C ATOM 1897 CG ASP A 124 16.853 2.545 -1.037 1.00 0.00 C ATOM 1898 OD1 ASP A 124 16.900 1.607 -0.208 1.00 0.00 O ATOM 1899 OD2 ASP A 124 16.963 2.359 -2.265 1.00 0.00 O ATOM 0 H ASP A 124 14.237 3.972 -1.134 1.00 0.00 H new ATOM 0 HA ASP A 124 15.654 3.252 1.203 1.00 0.00 H new ATOM 0 HB2 ASP A 124 16.456 4.618 -1.371 1.00 0.00 H new ATOM 0 HB3 ASP A 124 17.605 4.304 -0.085 1.00 0.00 H new ATOM 1904 N GLU A 125 15.158 6.463 0.643 1.00 0.00 N ATOM 1905 CA GLU A 125 15.076 7.751 1.299 1.00 0.00 C ATOM 1906 C GLU A 125 13.607 8.172 1.419 1.00 0.00 C ATOM 1907 O GLU A 125 13.214 8.826 2.384 1.00 0.00 O ATOM 1908 CB GLU A 125 15.909 8.803 0.548 1.00 0.00 C ATOM 1909 CG GLU A 125 15.294 9.319 -0.746 1.00 0.00 C ATOM 1910 CD GLU A 125 15.220 8.264 -1.822 1.00 0.00 C ATOM 1911 OE1 GLU A 125 14.300 7.424 -1.763 1.00 0.00 O ATOM 1912 OE2 GLU A 125 16.079 8.269 -2.726 1.00 0.00 O ATOM 0 H GLU A 125 14.796 6.453 -0.311 1.00 0.00 H new ATOM 0 HA GLU A 125 15.494 7.671 2.302 1.00 0.00 H new ATOM 0 HB2 GLU A 125 16.079 9.650 1.213 1.00 0.00 H new ATOM 0 HB3 GLU A 125 16.885 8.375 0.321 1.00 0.00 H new ATOM 0 HG2 GLU A 125 14.291 9.693 -0.542 1.00 0.00 H new ATOM 0 HG3 GLU A 125 15.881 10.162 -1.110 1.00 0.00 H new ATOM 1919 N GLY A 126 12.802 7.790 0.429 1.00 0.00 N ATOM 1920 CA GLY A 126 11.372 7.990 0.514 1.00 0.00 C ATOM 1921 C GLY A 126 10.863 9.068 -0.423 1.00 0.00 C ATOM 1922 O GLY A 126 10.834 10.244 -0.059 1.00 0.00 O ATOM 0 H GLY A 126 13.120 7.344 -0.432 1.00 0.00 H new ATOM 0 HA2 GLY A 126 10.866 7.052 0.287 1.00 0.00 H new ATOM 0 HA3 GLY A 126 11.109 8.254 1.538 1.00 0.00 H new ATOM 1926 N TYR A 127 10.462 8.675 -1.628 1.00 0.00 N ATOM 1927 CA TYR A 127 9.840 9.606 -2.561 1.00 0.00 C ATOM 1928 C TYR A 127 9.043 8.847 -3.613 1.00 0.00 C ATOM 1929 O TYR A 127 9.337 7.689 -3.918 1.00 0.00 O ATOM 1930 CB TYR A 127 10.877 10.528 -3.236 1.00 0.00 C ATOM 1931 CG TYR A 127 11.722 9.878 -4.318 1.00 0.00 C ATOM 1932 CD1 TYR A 127 11.280 9.828 -5.636 1.00 0.00 C ATOM 1933 CD2 TYR A 127 12.967 9.339 -4.029 1.00 0.00 C ATOM 1934 CE1 TYR A 127 12.052 9.255 -6.629 1.00 0.00 C ATOM 1935 CE2 TYR A 127 13.742 8.762 -5.018 1.00 0.00 C ATOM 1936 CZ TYR A 127 13.282 8.725 -6.315 1.00 0.00 C ATOM 1937 OH TYR A 127 14.060 8.163 -7.302 1.00 0.00 O ATOM 0 H TYR A 127 10.556 7.722 -1.980 1.00 0.00 H new ATOM 0 HA TYR A 127 9.164 10.240 -1.987 1.00 0.00 H new ATOM 0 HB2 TYR A 127 10.353 11.379 -3.671 1.00 0.00 H new ATOM 0 HB3 TYR A 127 11.542 10.922 -2.467 1.00 0.00 H new ATOM 0 HD1 TYR A 127 10.316 10.245 -5.888 1.00 0.00 H new ATOM 0 HD2 TYR A 127 13.337 9.371 -3.015 1.00 0.00 H new ATOM 0 HE1 TYR A 127 11.691 9.224 -7.647 1.00 0.00 H new ATOM 0 HE2 TYR A 127 14.706 8.341 -4.774 1.00 0.00 H new ATOM 0 HH TYR A 127 14.898 7.837 -6.912 1.00 0.00 H new ATOM 1947 N VAL A 128 8.031 9.504 -4.153 1.00 0.00 N ATOM 1948 CA VAL A 128 7.195 8.921 -5.188 1.00 0.00 C ATOM 1949 C VAL A 128 7.342 9.715 -6.479 1.00 0.00 C ATOM 1950 O VAL A 128 6.920 10.871 -6.556 1.00 0.00 O ATOM 1951 CB VAL A 128 5.709 8.902 -4.766 1.00 0.00 C ATOM 1952 CG1 VAL A 128 4.836 8.347 -5.875 1.00 0.00 C ATOM 1953 CG2 VAL A 128 5.523 8.101 -3.486 1.00 0.00 C ATOM 0 H VAL A 128 7.766 10.453 -3.888 1.00 0.00 H new ATOM 0 HA VAL A 128 7.522 7.893 -5.344 1.00 0.00 H new ATOM 0 HB VAL A 128 5.401 9.930 -4.576 1.00 0.00 H new ATOM 0 HG11 VAL A 128 3.795 8.345 -5.552 1.00 0.00 H new ATOM 0 HG12 VAL A 128 4.939 8.969 -6.764 1.00 0.00 H new ATOM 0 HG13 VAL A 128 5.146 7.328 -6.107 1.00 0.00 H new ATOM 0 HG21 VAL A 128 4.469 8.101 -3.207 1.00 0.00 H new ATOM 0 HG22 VAL A 128 5.856 7.076 -3.647 1.00 0.00 H new ATOM 0 HG23 VAL A 128 6.110 8.552 -2.686 1.00 0.00 H new ATOM 1963 N GLU A 129 7.957 9.108 -7.481 1.00 0.00 N ATOM 1964 CA GLU A 129 8.139 9.764 -8.764 1.00 0.00 C ATOM 1965 C GLU A 129 6.981 9.413 -9.688 1.00 0.00 C ATOM 1966 O GLU A 129 6.862 8.277 -10.155 1.00 0.00 O ATOM 1967 CB GLU A 129 9.481 9.364 -9.384 1.00 0.00 C ATOM 1968 CG GLU A 129 9.845 10.155 -10.629 1.00 0.00 C ATOM 1969 CD GLU A 129 11.301 9.986 -11.011 1.00 0.00 C ATOM 1970 OE1 GLU A 129 12.161 10.575 -10.325 1.00 0.00 O ATOM 1971 OE2 GLU A 129 11.592 9.274 -11.995 1.00 0.00 O ATOM 0 H GLU A 129 8.338 8.163 -7.430 1.00 0.00 H new ATOM 0 HA GLU A 129 8.150 10.844 -8.617 1.00 0.00 H new ATOM 0 HB2 GLU A 129 10.267 9.495 -8.640 1.00 0.00 H new ATOM 0 HB3 GLU A 129 9.452 8.304 -9.635 1.00 0.00 H new ATOM 0 HG2 GLU A 129 9.214 9.834 -11.458 1.00 0.00 H new ATOM 0 HG3 GLU A 129 9.636 11.211 -10.460 1.00 0.00 H new ATOM 1978 N LEU A 130 6.122 10.392 -9.929 1.00 0.00 N ATOM 1979 CA LEU A 130 4.931 10.187 -10.731 1.00 0.00 C ATOM 1980 C LEU A 130 5.181 10.568 -12.180 1.00 0.00 C ATOM 1981 O LEU A 130 5.417 11.741 -12.498 1.00 0.00 O ATOM 1982 CB LEU A 130 3.765 11.008 -10.174 1.00 0.00 C ATOM 1983 CG LEU A 130 2.472 10.949 -10.991 1.00 0.00 C ATOM 1984 CD1 LEU A 130 1.888 9.545 -10.978 1.00 0.00 C ATOM 1985 CD2 LEU A 130 1.462 11.952 -10.460 1.00 0.00 C ATOM 0 H LEU A 130 6.232 11.343 -9.576 1.00 0.00 H new ATOM 0 HA LEU A 130 4.675 9.128 -10.689 1.00 0.00 H new ATOM 0 HB2 LEU A 130 3.551 10.664 -9.162 1.00 0.00 H new ATOM 0 HB3 LEU A 130 4.079 12.049 -10.097 1.00 0.00 H new ATOM 0 HG LEU A 130 2.708 11.209 -12.023 1.00 0.00 H new ATOM 0 HD11 LEU A 130 0.970 9.527 -11.565 1.00 0.00 H new ATOM 0 HD12 LEU A 130 2.607 8.848 -11.408 1.00 0.00 H new ATOM 0 HD13 LEU A 130 1.668 9.252 -9.951 1.00 0.00 H new ATOM 0 HD21 LEU A 130 0.549 11.897 -11.052 1.00 0.00 H new ATOM 0 HD22 LEU A 130 1.234 11.722 -9.419 1.00 0.00 H new ATOM 0 HD23 LEU A 130 1.878 12.957 -10.527 1.00 0.00 H new ATOM 1997 N ILE A 131 5.137 9.578 -13.051 1.00 0.00 N ATOM 1998 CA ILE A 131 5.237 9.816 -14.476 1.00 0.00 C ATOM 1999 C ILE A 131 3.913 9.506 -15.129 1.00 0.00 C ATOM 2000 O ILE A 131 3.439 8.368 -15.110 1.00 0.00 O ATOM 2001 CB ILE A 131 6.328 8.968 -15.144 1.00 0.00 C ATOM 2002 CG1 ILE A 131 7.656 9.095 -14.390 1.00 0.00 C ATOM 2003 CG2 ILE A 131 6.500 9.379 -16.605 1.00 0.00 C ATOM 2004 CD1 ILE A 131 8.207 10.504 -14.354 1.00 0.00 C ATOM 0 H ILE A 131 5.032 8.597 -12.794 1.00 0.00 H new ATOM 0 HA ILE A 131 5.505 10.864 -14.608 1.00 0.00 H new ATOM 0 HB ILE A 131 6.018 7.924 -15.110 1.00 0.00 H new ATOM 0 HG12 ILE A 131 7.517 8.743 -13.368 1.00 0.00 H new ATOM 0 HG13 ILE A 131 8.392 8.439 -14.856 1.00 0.00 H new ATOM 0 HG21 ILE A 131 7.277 8.769 -17.066 1.00 0.00 H new ATOM 0 HG22 ILE A 131 5.560 9.232 -17.137 1.00 0.00 H new ATOM 0 HG23 ILE A 131 6.786 10.430 -16.656 1.00 0.00 H new ATOM 0 HD11 ILE A 131 9.148 10.513 -13.803 1.00 0.00 H new ATOM 0 HD12 ILE A 131 8.379 10.853 -15.372 1.00 0.00 H new ATOM 0 HD13 ILE A 131 7.492 11.162 -13.861 1.00 0.00 H new ATOM 2016 N GLU A 132 3.330 10.524 -15.699 1.00 0.00 N ATOM 2017 CA GLU A 132 2.050 10.393 -16.354 1.00 0.00 C ATOM 2018 C GLU A 132 2.264 9.811 -17.736 1.00 0.00 C ATOM 2019 O GLU A 132 2.733 10.495 -18.649 1.00 0.00 O ATOM 2020 CB GLU A 132 1.341 11.744 -16.408 1.00 0.00 C ATOM 2021 CG GLU A 132 1.100 12.331 -15.024 1.00 0.00 C ATOM 2022 CD GLU A 132 0.395 13.668 -15.056 1.00 0.00 C ATOM 2023 OE1 GLU A 132 1.082 14.704 -15.180 1.00 0.00 O ATOM 2024 OE2 GLU A 132 -0.848 13.693 -14.934 1.00 0.00 O ATOM 0 H GLU A 132 3.723 11.465 -15.725 1.00 0.00 H new ATOM 0 HA GLU A 132 1.407 9.718 -15.790 1.00 0.00 H new ATOM 0 HB2 GLU A 132 1.938 12.441 -16.996 1.00 0.00 H new ATOM 0 HB3 GLU A 132 0.387 11.630 -16.922 1.00 0.00 H new ATOM 0 HG2 GLU A 132 0.507 11.629 -14.438 1.00 0.00 H new ATOM 0 HG3 GLU A 132 2.056 12.444 -14.513 1.00 0.00 H new