USER MOD reduce.3.24.130724 H: found=0, std=0, add=1084, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 1084 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 124 GLN : amide:sc= -1.72 K(o=-1.9,f=-2.9!) USER MOD Set 1.2: A 128 TYR OH : rot 38:sc= -0.184 USER MOD Set 2.1: A 101 TYR OH : rot 150:sc= -7.81! USER MOD Set 2.2: A 116 THR OG1 : rot 77:sc= -2.4! USER MOD Set 3.1: A 58 SER OG : rot -74:sc= 0.864 USER MOD Set 3.2: A 67 HIS : no HE2:sc= -2.87! C(o=-2!,f=-6.6!) USER MOD Set 4.1: A 4 TYR OH : rot 180:sc= 0.086 USER MOD Set 4.2: A 27 GLN : amide:sc= 0.0867 X(o=0.17,f=0) USER MOD Set 5.1: A 11 SER OG : rot 180:sc= 0.0169 USER MOD Set 5.2: A 76 CYS SG : rot 180:sc= -4.27 USER MOD Single : A 1 MET CE :methyl -164:sc= -0.157 (180deg=-0.725) USER MOD Single : A 1 MET N :NH3+ 135:sc= -1.24 (180deg=-2.19!) USER MOD Single : A 5 TYR OH : rot 6:sc= -2.14 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot -170:sc= -3.72! USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 175:sc= 0.209 USER MOD Single : A 38 GLN : amide:sc= -0.163 K(o=-0.16,f=-1.5!) USER MOD Single : A 40 MET CE :methyl 148:sc= -3.24 (180deg=-8.49!) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.0144 USER MOD Single : A 46 THR OG1 : rot 88:sc= 0.231 USER MOD Single : A 49 SER OG : rot 79:sc= 0.298 USER MOD Single : A 51 THR OG1 : rot 64:sc= -3.34! USER MOD Single : A 57 GLN : amide:sc= -1.03 K(o=-1,f=-3!) USER MOD Single : A 63 ASN : amide:sc= -0.139 X(o=-0.14,f=-0.0097) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot 110:sc= -2.31 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 165:sc= -2.23! USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= -0.14 K(o=-0.14,f=-1.9!) USER MOD Single : A 85 TYR OH : rot 66:sc= -1 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc=-0.00604 X(o=-0.006,f=-0.13) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 HIS : no HD1:sc= -6.67! K(o=-6.7!,f=-3.4) USER MOD Single : A 107 LYS NZ :NH3+ -156:sc= -0.067 (180deg=-0.776) USER MOD Single : A 114 THR OG1 : rot -66:sc= 1.03 USER MOD Single : A 117 ASN : amide:sc= -0.174 X(o=-0.17,f=-0.031) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 MET CE :methyl 168:sc= -13.7! (180deg=-14.1!) USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 THR OG1 : rot 72:sc= 0.707 USER MOD Single : A 130 SER OG : rot 180:sc= 0 USER MOD Single : A 131 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.202) USER MOD Single : A 132 TYR OH : rot 93:sc= -1.16 USER MOD Single : A 133 GLN : amide:sc= 0.0219 X(o=0.022,f=-0.25) USER MOD Single : A 136 SER OG : rot 180:sc= -2.16 USER MOD Single : A 137 GLN : amide:sc= -2.93 K(o=-2.9,f=-4.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.018 12.497 1.392 1.00 0.00 N ATOM 2 CA MET A 1 -9.799 12.888 2.147 1.00 0.00 C ATOM 3 C MET A 1 -9.466 11.858 3.220 1.00 0.00 C ATOM 4 O MET A 1 -9.109 12.210 4.344 1.00 0.00 O ATOM 5 CB MET A 1 -10.038 14.257 2.787 1.00 0.00 C ATOM 6 CG MET A 1 -8.768 14.930 3.281 1.00 0.00 C ATOM 7 SD MET A 1 -9.102 16.355 4.333 1.00 0.00 S ATOM 8 CE MET A 1 -10.396 17.169 3.400 1.00 0.00 C ATOM 0 H1 MET A 1 -11.639 13.324 1.283 1.00 0.00 H new ATOM 0 H2 MET A 1 -10.746 12.142 0.453 1.00 0.00 H new ATOM 0 H3 MET A 1 -11.524 11.751 1.911 1.00 0.00 H new ATOM 0 HA MET A 1 -8.953 12.937 1.461 1.00 0.00 H new ATOM 0 HB2 MET A 1 -10.525 14.908 2.061 1.00 0.00 H new ATOM 0 HB3 MET A 1 -10.727 14.142 3.624 1.00 0.00 H new ATOM 0 HG2 MET A 1 -8.170 14.207 3.835 1.00 0.00 H new ATOM 0 HG3 MET A 1 -8.173 15.247 2.425 1.00 0.00 H new ATOM 0 HE1 MET A 1 -10.512 18.193 3.756 1.00 0.00 H new ATOM 0 HE2 MET A 1 -10.130 17.181 2.343 1.00 0.00 H new ATOM 0 HE3 MET A 1 -11.334 16.630 3.532 1.00 0.00 H new ATOM 20 N ARG A 2 -9.589 10.582 2.867 1.00 0.00 N ATOM 21 CA ARG A 2 -9.305 9.502 3.804 1.00 0.00 C ATOM 22 C ARG A 2 -8.795 8.259 3.081 1.00 0.00 C ATOM 23 O ARG A 2 -9.463 7.723 2.197 1.00 0.00 O ATOM 24 CB ARG A 2 -10.563 9.156 4.604 1.00 0.00 C ATOM 25 CG ARG A 2 -10.719 9.970 5.879 1.00 0.00 C ATOM 26 CD ARG A 2 -12.178 10.296 6.158 1.00 0.00 C ATOM 27 NE ARG A 2 -12.354 11.672 6.617 1.00 0.00 N ATOM 28 CZ ARG A 2 -13.469 12.127 7.185 1.00 0.00 C ATOM 29 NH1 ARG A 2 -14.507 11.320 7.364 1.00 0.00 N ATOM 30 NH2 ARG A 2 -13.546 13.392 7.575 1.00 0.00 N ATOM 0 H ARG A 2 -9.883 10.272 1.941 1.00 0.00 H new ATOM 0 HA ARG A 2 -8.524 9.845 4.483 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -11.438 9.313 3.974 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -10.540 8.097 4.860 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -10.302 9.415 6.719 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -10.149 10.895 5.793 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -12.764 10.138 5.253 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -12.565 9.610 6.912 1.00 0.00 H new ATOM 0 HE ARG A 2 -11.577 12.322 6.495 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -14.453 10.346 7.066 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -15.359 11.674 7.800 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -12.751 14.017 7.440 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -14.400 13.740 8.010 1.00 0.00 H new ATOM 44 N ILE A 3 -7.610 7.800 3.472 1.00 0.00 N ATOM 45 CA ILE A 3 -7.009 6.613 2.875 1.00 0.00 C ATOM 46 C ILE A 3 -7.854 5.381 3.182 1.00 0.00 C ATOM 47 O ILE A 3 -8.571 5.351 4.182 1.00 0.00 O ATOM 48 CB ILE A 3 -5.574 6.403 3.400 1.00 0.00 C ATOM 49 CG1 ILE A 3 -4.904 5.213 2.722 1.00 0.00 C ATOM 50 CG2 ILE A 3 -5.590 6.210 4.907 1.00 0.00 C ATOM 51 CD1 ILE A 3 -3.398 5.337 2.679 1.00 0.00 C ATOM 0 H ILE A 3 -7.046 8.234 4.202 1.00 0.00 H new ATOM 0 HA ILE A 3 -6.968 6.760 1.796 1.00 0.00 H new ATOM 0 HB ILE A 3 -4.994 7.295 3.161 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -5.174 4.299 3.251 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -5.286 5.117 1.705 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -4.571 6.063 5.266 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -6.018 7.093 5.382 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -6.192 5.336 5.156 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -2.975 4.462 2.186 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -3.122 6.235 2.125 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -3.009 5.404 3.695 1.00 0.00 H new ATOM 63 N TYR A 4 -7.789 4.372 2.317 1.00 0.00 N ATOM 64 CA TYR A 4 -8.579 3.163 2.521 1.00 0.00 C ATOM 65 C TYR A 4 -7.720 1.904 2.560 1.00 0.00 C ATOM 66 O TYR A 4 -7.975 1.011 3.366 1.00 0.00 O ATOM 67 CB TYR A 4 -9.652 3.039 1.442 1.00 0.00 C ATOM 68 CG TYR A 4 -10.865 3.897 1.717 1.00 0.00 C ATOM 69 CD1 TYR A 4 -11.453 3.918 2.977 1.00 0.00 C ATOM 70 CD2 TYR A 4 -11.415 4.693 0.723 1.00 0.00 C ATOM 71 CE1 TYR A 4 -12.555 4.712 3.236 1.00 0.00 C ATOM 72 CE2 TYR A 4 -12.517 5.488 0.973 1.00 0.00 C ATOM 73 CZ TYR A 4 -13.083 5.495 2.231 1.00 0.00 C ATOM 74 OH TYR A 4 -14.179 6.286 2.485 1.00 0.00 O ATOM 0 H TYR A 4 -7.206 4.367 1.480 1.00 0.00 H new ATOM 0 HA TYR A 4 -9.057 3.256 3.496 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -9.226 3.320 0.479 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -9.961 1.997 1.362 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -11.043 3.305 3.765 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -10.974 4.691 -0.263 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -13.000 4.719 4.220 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -12.933 6.101 0.187 1.00 0.00 H new ATOM 0 HH TYR A 4 -14.425 6.775 1.672 1.00 0.00 H new ATOM 84 N TYR A 5 -6.709 1.811 1.699 1.00 0.00 N ATOM 85 CA TYR A 5 -5.862 0.627 1.693 1.00 0.00 C ATOM 86 C TYR A 5 -4.399 0.972 1.475 1.00 0.00 C ATOM 87 O TYR A 5 -4.060 1.943 0.798 1.00 0.00 O ATOM 88 CB TYR A 5 -6.324 -0.364 0.622 1.00 0.00 C ATOM 89 CG TYR A 5 -5.449 -1.601 0.502 1.00 0.00 C ATOM 90 CD1 TYR A 5 -4.171 -1.526 -0.044 1.00 0.00 C ATOM 91 CD2 TYR A 5 -5.902 -2.843 0.930 1.00 0.00 C ATOM 92 CE1 TYR A 5 -3.373 -2.647 -0.159 1.00 0.00 C ATOM 93 CE2 TYR A 5 -5.108 -3.970 0.815 1.00 0.00 C ATOM 94 CZ TYR A 5 -3.846 -3.866 0.270 1.00 0.00 C ATOM 95 OH TYR A 5 -3.055 -4.985 0.154 1.00 0.00 O ATOM 0 H TYR A 5 -6.462 2.524 1.013 1.00 0.00 H new ATOM 0 HA TYR A 5 -5.955 0.166 2.677 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -7.345 -0.674 0.846 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -6.349 0.145 -0.342 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -3.796 -0.572 -0.384 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -6.889 -2.930 1.359 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -2.383 -2.568 -0.583 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -5.476 -4.928 1.151 1.00 0.00 H new ATOM 0 HH TYR A 5 -2.164 -4.725 -0.161 1.00 0.00 H new ATOM 105 N ILE A 6 -3.544 0.139 2.046 1.00 0.00 N ATOM 106 CA ILE A 6 -2.110 0.292 1.929 1.00 0.00 C ATOM 107 C ILE A 6 -1.465 -1.083 1.982 1.00 0.00 C ATOM 108 O ILE A 6 -2.089 -2.050 2.421 1.00 0.00 O ATOM 109 CB ILE A 6 -1.558 1.206 3.050 1.00 0.00 C ATOM 110 CG1 ILE A 6 -1.656 2.674 2.610 1.00 0.00 C ATOM 111 CG2 ILE A 6 -0.132 0.841 3.438 1.00 0.00 C ATOM 112 CD1 ILE A 6 -0.630 3.599 3.242 1.00 0.00 C ATOM 0 H ILE A 6 -3.830 -0.665 2.605 1.00 0.00 H new ATOM 0 HA ILE A 6 -1.872 0.768 0.978 1.00 0.00 H new ATOM 0 HB ILE A 6 -2.167 1.058 3.942 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -1.548 2.722 1.526 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -2.653 3.044 2.848 1.00 0.00 H new ATOM 0 HG21 ILE A 6 0.213 1.509 4.227 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -0.104 -0.188 3.796 1.00 0.00 H new ATOM 0 HG23 ILE A 6 0.518 0.941 2.569 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -0.777 4.613 2.871 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -0.749 3.588 4.325 1.00 0.00 H new ATOM 0 HD13 ILE A 6 0.373 3.260 2.983 1.00 0.00 H new ATOM 124 N GLY A 7 -0.230 -1.175 1.530 1.00 0.00 N ATOM 125 CA GLY A 7 0.449 -2.449 1.545 1.00 0.00 C ATOM 126 C GLY A 7 1.625 -2.488 0.605 1.00 0.00 C ATOM 127 O GLY A 7 2.020 -1.467 0.043 1.00 0.00 O ATOM 0 H GLY A 7 0.313 -0.397 1.155 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.791 -2.663 2.558 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.255 -3.235 1.273 1.00 0.00 H new ATOM 131 N VAL A 8 2.185 -3.671 0.433 1.00 0.00 N ATOM 132 CA VAL A 8 3.321 -3.846 -0.447 1.00 0.00 C ATOM 133 C VAL A 8 3.095 -5.019 -1.382 1.00 0.00 C ATOM 134 O VAL A 8 2.261 -5.885 -1.113 1.00 0.00 O ATOM 135 CB VAL A 8 4.624 -4.085 0.329 1.00 0.00 C ATOM 136 CG1 VAL A 8 5.779 -3.423 -0.389 1.00 0.00 C ATOM 137 CG2 VAL A 8 4.523 -3.580 1.761 1.00 0.00 C ATOM 0 H VAL A 8 1.870 -4.525 0.893 1.00 0.00 H new ATOM 0 HA VAL A 8 3.418 -2.921 -1.016 1.00 0.00 H new ATOM 0 HB VAL A 8 4.800 -5.160 0.374 1.00 0.00 H new ATOM 0 HG11 VAL A 8 6.700 -3.596 0.167 1.00 0.00 H new ATOM 0 HG12 VAL A 8 5.874 -3.844 -1.390 1.00 0.00 H new ATOM 0 HG13 VAL A 8 5.596 -2.351 -0.462 1.00 0.00 H new ATOM 0 HG21 VAL A 8 5.463 -3.766 2.280 1.00 0.00 H new ATOM 0 HG22 VAL A 8 4.317 -2.510 1.756 1.00 0.00 H new ATOM 0 HG23 VAL A 8 3.716 -4.102 2.275 1.00 0.00 H new ATOM 147 N PHE A 9 3.834 -5.046 -2.483 1.00 0.00 N ATOM 148 CA PHE A 9 3.695 -6.116 -3.454 1.00 0.00 C ATOM 149 C PHE A 9 4.979 -6.324 -4.248 1.00 0.00 C ATOM 150 O PHE A 9 5.566 -5.372 -4.760 1.00 0.00 O ATOM 151 CB PHE A 9 2.552 -5.796 -4.407 1.00 0.00 C ATOM 152 CG PHE A 9 1.242 -5.536 -3.721 1.00 0.00 C ATOM 153 CD1 PHE A 9 0.967 -4.300 -3.154 1.00 0.00 C ATOM 154 CD2 PHE A 9 0.278 -6.524 -3.661 1.00 0.00 C ATOM 155 CE1 PHE A 9 -0.245 -4.063 -2.537 1.00 0.00 C ATOM 156 CE2 PHE A 9 -0.937 -6.291 -3.048 1.00 0.00 C ATOM 157 CZ PHE A 9 -1.198 -5.060 -2.486 1.00 0.00 C ATOM 0 H PHE A 9 4.532 -4.342 -2.723 1.00 0.00 H new ATOM 0 HA PHE A 9 3.482 -7.037 -2.911 1.00 0.00 H new ATOM 0 HB2 PHE A 9 2.820 -4.921 -5.000 1.00 0.00 H new ATOM 0 HB3 PHE A 9 2.428 -6.626 -5.102 1.00 0.00 H new ATOM 0 HD1 PHE A 9 1.708 -3.516 -3.196 1.00 0.00 H new ATOM 0 HD2 PHE A 9 0.477 -7.491 -4.099 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -0.447 -3.099 -2.095 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -1.682 -7.072 -3.009 1.00 0.00 H new ATOM 0 HZ PHE A 9 -2.148 -4.876 -2.006 1.00 0.00 H new ATOM 167 N ARG A 10 5.400 -7.576 -4.365 1.00 0.00 N ATOM 168 CA ARG A 10 6.604 -7.903 -5.113 1.00 0.00 C ATOM 169 C ARG A 10 6.249 -8.270 -6.544 1.00 0.00 C ATOM 170 O ARG A 10 5.648 -9.313 -6.798 1.00 0.00 O ATOM 171 CB ARG A 10 7.360 -9.055 -4.451 1.00 0.00 C ATOM 172 CG ARG A 10 8.825 -9.121 -4.851 1.00 0.00 C ATOM 173 CD ARG A 10 9.035 -10.017 -6.060 1.00 0.00 C ATOM 174 NE ARG A 10 8.453 -11.344 -5.869 1.00 0.00 N ATOM 175 CZ ARG A 10 8.341 -12.250 -6.838 1.00 0.00 C ATOM 176 NH1 ARG A 10 8.768 -11.977 -8.065 1.00 0.00 N ATOM 177 NH2 ARG A 10 7.802 -13.434 -6.579 1.00 0.00 N ATOM 0 H ARG A 10 4.926 -8.379 -3.952 1.00 0.00 H new ATOM 0 HA ARG A 10 7.250 -7.025 -5.119 1.00 0.00 H new ATOM 0 HB2 ARG A 10 7.290 -8.951 -3.368 1.00 0.00 H new ATOM 0 HB3 ARG A 10 6.876 -9.996 -4.713 1.00 0.00 H new ATOM 0 HG2 ARG A 10 9.187 -8.117 -5.074 1.00 0.00 H new ATOM 0 HG3 ARG A 10 9.415 -9.494 -4.014 1.00 0.00 H new ATOM 0 HD2 ARG A 10 8.590 -9.550 -6.939 1.00 0.00 H new ATOM 0 HD3 ARG A 10 10.103 -10.115 -6.257 1.00 0.00 H new ATOM 0 HE ARG A 10 8.113 -11.590 -4.939 1.00 0.00 H new ATOM 0 HH11 ARG A 10 9.185 -11.069 -8.270 1.00 0.00 H new ATOM 0 HH12 ARG A 10 8.679 -12.675 -8.803 1.00 0.00 H new ATOM 0 HH21 ARG A 10 7.474 -13.650 -5.638 1.00 0.00 H new ATOM 0 HH22 ARG A 10 7.716 -14.128 -7.321 1.00 0.00 H new ATOM 191 N SER A 11 6.616 -7.401 -7.477 1.00 0.00 N ATOM 192 CA SER A 11 6.328 -7.629 -8.888 1.00 0.00 C ATOM 193 C SER A 11 6.706 -9.044 -9.308 1.00 0.00 C ATOM 194 O SER A 11 7.862 -9.324 -9.627 1.00 0.00 O ATOM 195 CB SER A 11 7.074 -6.622 -9.755 1.00 0.00 C ATOM 196 OG SER A 11 6.996 -5.316 -9.209 1.00 0.00 O ATOM 0 H SER A 11 7.114 -6.532 -7.283 1.00 0.00 H new ATOM 0 HA SER A 11 5.255 -7.501 -9.029 1.00 0.00 H new ATOM 0 HB2 SER A 11 8.119 -6.919 -9.845 1.00 0.00 H new ATOM 0 HB3 SER A 11 6.655 -6.624 -10.761 1.00 0.00 H new ATOM 0 HG SER A 11 7.485 -4.691 -9.785 1.00 0.00 H new ATOM 202 N GLY A 12 5.721 -9.928 -9.306 1.00 0.00 N ATOM 203 CA GLY A 12 5.956 -11.308 -9.688 1.00 0.00 C ATOM 204 C GLY A 12 5.574 -11.580 -11.129 1.00 0.00 C ATOM 205 O GLY A 12 4.975 -12.611 -11.436 1.00 0.00 O ATOM 0 H GLY A 12 4.758 -9.715 -9.046 1.00 0.00 H new ATOM 0 HA2 GLY A 12 7.009 -11.548 -9.542 1.00 0.00 H new ATOM 0 HA3 GLY A 12 5.385 -11.966 -9.033 1.00 0.00 H new ATOM 209 N GLY A 13 5.920 -10.652 -12.015 1.00 0.00 N ATOM 210 CA GLY A 13 5.601 -10.814 -13.421 1.00 0.00 C ATOM 211 C GLY A 13 4.235 -10.259 -13.772 1.00 0.00 C ATOM 212 O GLY A 13 3.997 -9.057 -13.657 1.00 0.00 O ATOM 0 H GLY A 13 6.416 -9.791 -11.784 1.00 0.00 H new ATOM 0 HA2 GLY A 13 6.359 -10.313 -14.023 1.00 0.00 H new ATOM 0 HA3 GLY A 13 5.637 -11.872 -13.679 1.00 0.00 H new ATOM 216 N GLU A 14 3.334 -11.138 -14.198 1.00 0.00 N ATOM 217 CA GLU A 14 1.982 -10.730 -14.565 1.00 0.00 C ATOM 218 C GLU A 14 1.138 -10.448 -13.325 1.00 0.00 C ATOM 219 O GLU A 14 0.133 -9.740 -13.396 1.00 0.00 O ATOM 220 CB GLU A 14 1.315 -11.813 -15.416 1.00 0.00 C ATOM 221 CG GLU A 14 1.478 -11.596 -16.912 1.00 0.00 C ATOM 222 CD GLU A 14 1.772 -12.883 -17.659 1.00 0.00 C ATOM 223 OE1 GLU A 14 1.127 -13.908 -17.352 1.00 0.00 O ATOM 224 OE2 GLU A 14 2.646 -12.866 -18.550 1.00 0.00 O ATOM 0 H GLU A 14 3.515 -12.137 -14.298 1.00 0.00 H new ATOM 0 HA GLU A 14 2.053 -9.811 -15.147 1.00 0.00 H new ATOM 0 HB2 GLU A 14 1.735 -12.783 -15.150 1.00 0.00 H new ATOM 0 HB3 GLU A 14 0.252 -11.849 -15.176 1.00 0.00 H new ATOM 0 HG2 GLU A 14 0.568 -11.148 -17.312 1.00 0.00 H new ATOM 0 HG3 GLU A 14 2.286 -10.886 -17.087 1.00 0.00 H new ATOM 231 N LYS A 15 1.548 -11.007 -12.190 1.00 0.00 N ATOM 232 CA LYS A 15 0.831 -10.818 -10.939 1.00 0.00 C ATOM 233 C LYS A 15 1.763 -10.250 -9.870 1.00 0.00 C ATOM 234 O LYS A 15 2.969 -10.495 -9.888 1.00 0.00 O ATOM 235 CB LYS A 15 0.222 -12.153 -10.486 1.00 0.00 C ATOM 236 CG LYS A 15 0.031 -12.282 -8.983 1.00 0.00 C ATOM 237 CD LYS A 15 1.249 -12.907 -8.322 1.00 0.00 C ATOM 238 CE LYS A 15 1.038 -13.093 -6.828 1.00 0.00 C ATOM 239 NZ LYS A 15 0.386 -14.395 -6.517 1.00 0.00 N ATOM 0 H LYS A 15 2.377 -11.596 -12.114 1.00 0.00 H new ATOM 0 HA LYS A 15 0.024 -10.101 -11.093 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -0.744 -12.281 -10.974 1.00 0.00 H new ATOM 0 HB3 LYS A 15 0.863 -12.965 -10.829 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -0.154 -11.298 -8.552 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -0.849 -12.891 -8.777 1.00 0.00 H new ATOM 0 HD2 LYS A 15 1.460 -13.872 -8.784 1.00 0.00 H new ATOM 0 HD3 LYS A 15 2.121 -12.275 -8.492 1.00 0.00 H new ATOM 0 HE2 LYS A 15 1.999 -13.037 -6.316 1.00 0.00 H new ATOM 0 HE3 LYS A 15 0.424 -12.279 -6.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 0.260 -14.483 -5.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -0.542 -14.439 -6.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 0.984 -15.173 -6.860 1.00 0.00 H new ATOM 253 N ALA A 16 1.194 -9.483 -8.949 1.00 0.00 N ATOM 254 CA ALA A 16 1.966 -8.869 -7.877 1.00 0.00 C ATOM 255 C ALA A 16 1.922 -9.706 -6.604 1.00 0.00 C ATOM 256 O ALA A 16 0.846 -10.047 -6.113 1.00 0.00 O ATOM 257 CB ALA A 16 1.439 -7.471 -7.598 1.00 0.00 C ATOM 0 H ALA A 16 0.197 -9.271 -8.923 1.00 0.00 H new ATOM 0 HA ALA A 16 3.005 -8.811 -8.202 1.00 0.00 H new ATOM 0 HB1 ALA A 16 2.020 -7.017 -6.795 1.00 0.00 H new ATOM 0 HB2 ALA A 16 1.526 -6.863 -8.498 1.00 0.00 H new ATOM 0 HB3 ALA A 16 0.392 -7.530 -7.300 1.00 0.00 H new ATOM 263 N LEU A 17 3.096 -10.020 -6.062 1.00 0.00 N ATOM 264 CA LEU A 17 3.175 -10.801 -4.834 1.00 0.00 C ATOM 265 C LEU A 17 2.554 -10.022 -3.685 1.00 0.00 C ATOM 266 O LEU A 17 2.891 -8.864 -3.464 1.00 0.00 O ATOM 267 CB LEU A 17 4.631 -11.138 -4.494 1.00 0.00 C ATOM 268 CG LEU A 17 4.833 -12.296 -3.505 1.00 0.00 C ATOM 269 CD1 LEU A 17 6.300 -12.422 -3.133 1.00 0.00 C ATOM 270 CD2 LEU A 17 3.995 -12.105 -2.248 1.00 0.00 C ATOM 0 H LEU A 17 3.998 -9.747 -6.451 1.00 0.00 H new ATOM 0 HA LEU A 17 2.628 -11.731 -4.985 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.154 -11.379 -5.419 1.00 0.00 H new ATOM 0 HB3 LEU A 17 5.105 -10.246 -4.083 1.00 0.00 H new ATOM 0 HG LEU A 17 4.506 -13.213 -3.996 1.00 0.00 H new ATOM 0 HD11 LEU A 17 6.428 -13.247 -2.432 1.00 0.00 H new ATOM 0 HD12 LEU A 17 6.888 -12.615 -4.031 1.00 0.00 H new ATOM 0 HD13 LEU A 17 6.639 -11.495 -2.669 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.161 -12.942 -1.569 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.283 -11.176 -1.756 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.940 -12.061 -2.517 1.00 0.00 H new ATOM 282 N GLU A 18 1.653 -10.658 -2.952 1.00 0.00 N ATOM 283 CA GLU A 18 1.006 -10.004 -1.826 1.00 0.00 C ATOM 284 C GLU A 18 1.978 -9.853 -0.657 1.00 0.00 C ATOM 285 O GLU A 18 1.780 -10.446 0.404 1.00 0.00 O ATOM 286 CB GLU A 18 -0.226 -10.798 -1.386 1.00 0.00 C ATOM 287 CG GLU A 18 0.067 -12.259 -1.087 1.00 0.00 C ATOM 288 CD GLU A 18 -0.791 -12.807 0.037 1.00 0.00 C ATOM 289 OE1 GLU A 18 -1.846 -12.204 0.326 1.00 0.00 O ATOM 290 OE2 GLU A 18 -0.408 -13.839 0.627 1.00 0.00 O ATOM 0 H GLU A 18 1.355 -11.620 -3.115 1.00 0.00 H new ATOM 0 HA GLU A 18 0.691 -9.010 -2.144 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -0.650 -10.332 -0.497 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -0.983 -10.741 -2.168 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -0.099 -12.851 -1.987 1.00 0.00 H new ATOM 0 HG3 GLU A 18 1.119 -12.368 -0.823 1.00 0.00 H new ATOM 297 N LEU A 19 3.031 -9.052 -0.853 1.00 0.00 N ATOM 298 CA LEU A 19 4.027 -8.826 0.196 1.00 0.00 C ATOM 299 C LEU A 19 3.339 -8.548 1.522 1.00 0.00 C ATOM 300 O LEU A 19 3.294 -9.410 2.398 1.00 0.00 O ATOM 301 CB LEU A 19 4.958 -7.675 -0.178 1.00 0.00 C ATOM 302 CG LEU A 19 5.999 -8.013 -1.248 1.00 0.00 C ATOM 303 CD1 LEU A 19 7.076 -6.947 -1.298 1.00 0.00 C ATOM 304 CD2 LEU A 19 6.621 -9.379 -0.993 1.00 0.00 C ATOM 0 H LEU A 19 3.214 -8.553 -1.723 1.00 0.00 H new ATOM 0 HA LEU A 19 4.630 -9.728 0.298 1.00 0.00 H new ATOM 0 HB2 LEU A 19 4.355 -6.838 -0.530 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.476 -7.339 0.720 1.00 0.00 H new ATOM 0 HG LEU A 19 5.491 -8.044 -2.212 1.00 0.00 H new ATOM 0 HD11 LEU A 19 7.807 -7.204 -2.064 1.00 0.00 H new ATOM 0 HD12 LEU A 19 6.624 -5.984 -1.536 1.00 0.00 H new ATOM 0 HD13 LEU A 19 7.572 -6.885 -0.329 1.00 0.00 H new ATOM 0 HD21 LEU A 19 7.357 -9.594 -1.768 1.00 0.00 H new ATOM 0 HD22 LEU A 19 7.109 -9.380 -0.018 1.00 0.00 H new ATOM 0 HD23 LEU A 19 5.843 -10.142 -1.010 1.00 0.00 H new ATOM 316 N SER A 20 2.764 -7.361 1.652 1.00 0.00 N ATOM 317 CA SER A 20 2.039 -7.020 2.863 1.00 0.00 C ATOM 318 C SER A 20 0.728 -6.326 2.511 1.00 0.00 C ATOM 319 O SER A 20 0.640 -5.638 1.495 1.00 0.00 O ATOM 320 CB SER A 20 2.880 -6.169 3.812 1.00 0.00 C ATOM 321 OG SER A 20 4.104 -5.785 3.213 1.00 0.00 O ATOM 0 H SER A 20 2.785 -6.628 0.943 1.00 0.00 H new ATOM 0 HA SER A 20 1.813 -7.946 3.391 1.00 0.00 H new ATOM 0 HB2 SER A 20 2.319 -5.280 4.100 1.00 0.00 H new ATOM 0 HB3 SER A 20 3.080 -6.729 4.725 1.00 0.00 H new ATOM 0 HG SER A 20 4.686 -5.380 3.889 1.00 0.00 H new ATOM 327 N GLU A 21 -0.303 -6.537 3.325 1.00 0.00 N ATOM 328 CA GLU A 21 -1.604 -5.952 3.047 1.00 0.00 C ATOM 329 C GLU A 21 -2.284 -5.404 4.301 1.00 0.00 C ATOM 330 O GLU A 21 -2.603 -6.147 5.229 1.00 0.00 O ATOM 331 CB GLU A 21 -2.500 -7.006 2.394 1.00 0.00 C ATOM 332 CG GLU A 21 -3.939 -6.558 2.212 1.00 0.00 C ATOM 333 CD GLU A 21 -4.924 -7.437 2.959 1.00 0.00 C ATOM 334 OE1 GLU A 21 -4.997 -8.644 2.647 1.00 0.00 O ATOM 335 OE2 GLU A 21 -5.622 -6.917 3.855 1.00 0.00 O ATOM 0 H GLU A 21 -0.261 -7.103 4.173 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.448 -5.109 2.374 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -2.085 -7.270 1.421 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -2.485 -7.910 3.003 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -4.042 -5.529 2.558 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -4.186 -6.564 1.150 1.00 0.00 H new ATOM 342 N VAL A 22 -2.533 -4.099 4.292 1.00 0.00 N ATOM 343 CA VAL A 22 -3.209 -3.428 5.388 1.00 0.00 C ATOM 344 C VAL A 22 -4.485 -2.777 4.869 1.00 0.00 C ATOM 345 O VAL A 22 -4.496 -2.215 3.774 1.00 0.00 O ATOM 346 CB VAL A 22 -2.308 -2.363 6.028 1.00 0.00 C ATOM 347 CG1 VAL A 22 -1.903 -1.312 5.010 1.00 0.00 C ATOM 348 CG2 VAL A 22 -2.995 -1.727 7.226 1.00 0.00 C ATOM 0 H VAL A 22 -2.271 -3.480 3.524 1.00 0.00 H new ATOM 0 HA VAL A 22 -3.451 -4.169 6.150 1.00 0.00 H new ATOM 0 HB VAL A 22 -1.400 -2.853 6.380 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.265 -0.569 5.488 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -1.358 -1.787 4.194 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.795 -0.825 4.616 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.339 -0.975 7.665 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.924 -1.255 6.905 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.215 -2.494 7.969 1.00 0.00 H new ATOM 358 N LYS A 23 -5.566 -2.876 5.633 1.00 0.00 N ATOM 359 CA LYS A 23 -6.837 -2.312 5.197 1.00 0.00 C ATOM 360 C LYS A 23 -7.309 -1.166 6.072 1.00 0.00 C ATOM 361 O LYS A 23 -6.952 -1.057 7.245 1.00 0.00 O ATOM 362 CB LYS A 23 -7.925 -3.385 5.184 1.00 0.00 C ATOM 363 CG LYS A 23 -7.490 -4.693 4.542 1.00 0.00 C ATOM 364 CD LYS A 23 -8.034 -5.896 5.298 1.00 0.00 C ATOM 365 CE LYS A 23 -8.915 -6.760 4.411 1.00 0.00 C ATOM 366 NZ LYS A 23 -9.411 -7.967 5.127 1.00 0.00 N ATOM 0 H LYS A 23 -5.589 -3.334 6.544 1.00 0.00 H new ATOM 0 HA LYS A 23 -6.662 -1.926 4.193 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -8.241 -3.581 6.209 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -8.795 -3.001 4.651 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -7.836 -4.725 3.509 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -6.401 -4.741 4.515 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -7.205 -6.492 5.680 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -8.607 -5.556 6.161 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -9.763 -6.173 4.059 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -8.352 -7.067 3.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -10.008 -8.529 4.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -8.603 -8.541 5.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -9.970 -7.675 5.954 1.00 0.00 H new ATOM 380 N ASP A 24 -8.164 -0.348 5.480 1.00 0.00 N ATOM 381 CA ASP A 24 -8.776 0.775 6.159 1.00 0.00 C ATOM 382 C ASP A 24 -10.216 0.879 5.682 1.00 0.00 C ATOM 383 O ASP A 24 -10.480 1.253 4.539 1.00 0.00 O ATOM 384 CB ASP A 24 -8.017 2.072 5.869 1.00 0.00 C ATOM 385 CG ASP A 24 -7.530 2.751 7.135 1.00 0.00 C ATOM 386 OD1 ASP A 24 -7.347 2.049 8.152 1.00 0.00 O ATOM 387 OD2 ASP A 24 -7.334 3.984 7.109 1.00 0.00 O ATOM 0 H ASP A 24 -8.453 -0.448 4.507 1.00 0.00 H new ATOM 0 HA ASP A 24 -8.744 0.619 7.237 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -7.165 1.855 5.225 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -8.666 2.755 5.320 1.00 0.00 H new ATOM 392 N LEU A 25 -11.140 0.507 6.551 1.00 0.00 N ATOM 393 CA LEU A 25 -12.555 0.514 6.216 1.00 0.00 C ATOM 394 C LEU A 25 -13.363 1.262 7.265 1.00 0.00 C ATOM 395 O LEU A 25 -13.950 0.661 8.165 1.00 0.00 O ATOM 396 CB LEU A 25 -13.042 -0.927 6.086 1.00 0.00 C ATOM 397 CG LEU A 25 -12.091 -1.841 5.306 1.00 0.00 C ATOM 398 CD1 LEU A 25 -11.442 -2.856 6.233 1.00 0.00 C ATOM 399 CD2 LEU A 25 -12.817 -2.541 4.167 1.00 0.00 C ATOM 0 H LEU A 25 -10.935 0.194 7.500 1.00 0.00 H new ATOM 0 HA LEU A 25 -12.694 1.033 5.268 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -13.190 -1.341 7.084 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -14.014 -0.928 5.594 1.00 0.00 H new ATOM 0 HG LEU A 25 -11.307 -1.220 4.873 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -10.771 -3.495 5.660 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -10.876 -2.334 7.004 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -12.214 -3.467 6.701 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -12.118 -3.183 3.630 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -13.629 -3.146 4.570 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -13.224 -1.796 3.483 1.00 0.00 H new ATOM 411 N SER A 26 -13.380 2.581 7.141 1.00 0.00 N ATOM 412 CA SER A 26 -14.107 3.433 8.076 1.00 0.00 C ATOM 413 C SER A 26 -15.604 3.438 7.775 1.00 0.00 C ATOM 414 O SER A 26 -16.416 3.049 8.616 1.00 0.00 O ATOM 415 CB SER A 26 -13.562 4.861 8.023 1.00 0.00 C ATOM 416 OG SER A 26 -12.511 5.040 8.957 1.00 0.00 O ATOM 0 H SER A 26 -12.897 3.088 6.399 1.00 0.00 H new ATOM 0 HA SER A 26 -13.963 3.028 9.078 1.00 0.00 H new ATOM 0 HB2 SER A 26 -13.201 5.079 7.018 1.00 0.00 H new ATOM 0 HB3 SER A 26 -14.364 5.568 8.234 1.00 0.00 H new ATOM 0 HG SER A 26 -12.178 5.960 8.903 1.00 0.00 H new ATOM 422 N GLN A 27 -15.965 3.887 6.577 1.00 0.00 N ATOM 423 CA GLN A 27 -17.367 3.949 6.173 1.00 0.00 C ATOM 424 C GLN A 27 -17.905 2.564 5.826 1.00 0.00 C ATOM 425 O GLN A 27 -19.104 2.309 5.934 1.00 0.00 O ATOM 426 CB GLN A 27 -17.531 4.887 4.975 1.00 0.00 C ATOM 427 CG GLN A 27 -17.128 6.322 5.269 1.00 0.00 C ATOM 428 CD GLN A 27 -17.664 7.300 4.242 1.00 0.00 C ATOM 429 OE1 GLN A 27 -18.563 8.090 4.529 1.00 0.00 O ATOM 430 NE2 GLN A 27 -17.112 7.250 3.035 1.00 0.00 N ATOM 0 H GLN A 27 -15.307 4.213 5.869 1.00 0.00 H new ATOM 0 HA GLN A 27 -17.941 4.336 7.015 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -16.931 4.512 4.146 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -18.571 4.870 4.650 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -17.492 6.603 6.257 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -16.041 6.391 5.299 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -16.369 6.579 2.841 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -17.431 7.883 2.302 1.00 0.00 H new ATOM 439 N PHE A 28 -17.013 1.672 5.410 1.00 0.00 N ATOM 440 CA PHE A 28 -17.400 0.311 5.048 1.00 0.00 C ATOM 441 C PHE A 28 -17.646 -0.521 6.306 1.00 0.00 C ATOM 442 O PHE A 28 -16.758 -1.229 6.780 1.00 0.00 O ATOM 443 CB PHE A 28 -16.319 -0.340 4.177 1.00 0.00 C ATOM 444 CG PHE A 28 -15.517 0.653 3.379 1.00 0.00 C ATOM 445 CD1 PHE A 28 -16.148 1.690 2.709 1.00 0.00 C ATOM 446 CD2 PHE A 28 -14.137 0.559 3.310 1.00 0.00 C ATOM 447 CE1 PHE A 28 -15.416 2.611 1.986 1.00 0.00 C ATOM 448 CE2 PHE A 28 -13.401 1.478 2.591 1.00 0.00 C ATOM 449 CZ PHE A 28 -14.041 2.504 1.929 1.00 0.00 C ATOM 0 H PHE A 28 -16.016 1.866 5.315 1.00 0.00 H new ATOM 0 HA PHE A 28 -18.325 0.353 4.473 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -15.645 -0.912 4.814 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -16.790 -1.048 3.495 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -17.223 1.778 2.753 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -13.631 -0.244 3.825 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -15.918 3.413 1.466 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -12.325 1.394 2.547 1.00 0.00 H new ATOM 0 HZ PHE A 28 -13.466 3.224 1.366 1.00 0.00 H new ATOM 459 N GLY A 29 -18.858 -0.412 6.850 1.00 0.00 N ATOM 460 CA GLY A 29 -19.209 -1.139 8.060 1.00 0.00 C ATOM 461 C GLY A 29 -19.086 -2.644 7.915 1.00 0.00 C ATOM 462 O GLY A 29 -18.279 -3.137 7.129 1.00 0.00 O ATOM 0 H GLY A 29 -19.606 0.170 6.472 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -18.566 -0.806 8.875 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -20.233 -0.891 8.340 1.00 0.00 H new ATOM 466 N PHE A 30 -19.892 -3.377 8.682 1.00 0.00 N ATOM 467 CA PHE A 30 -19.874 -4.840 8.647 1.00 0.00 C ATOM 468 C PHE A 30 -20.696 -5.384 7.479 1.00 0.00 C ATOM 469 O PHE A 30 -21.354 -6.417 7.598 1.00 0.00 O ATOM 470 CB PHE A 30 -20.396 -5.422 9.967 1.00 0.00 C ATOM 471 CG PHE A 30 -21.552 -4.663 10.559 1.00 0.00 C ATOM 472 CD1 PHE A 30 -22.657 -4.340 9.786 1.00 0.00 C ATOM 473 CD2 PHE A 30 -21.532 -4.273 11.888 1.00 0.00 C ATOM 474 CE1 PHE A 30 -23.719 -3.642 10.330 1.00 0.00 C ATOM 475 CE2 PHE A 30 -22.591 -3.575 12.437 1.00 0.00 C ATOM 476 CZ PHE A 30 -23.686 -3.259 11.657 1.00 0.00 C ATOM 0 H PHE A 30 -20.567 -2.981 9.336 1.00 0.00 H new ATOM 0 HA PHE A 30 -18.838 -5.148 8.507 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -20.701 -6.455 9.801 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -19.581 -5.443 10.690 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -22.688 -4.637 8.748 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -20.678 -4.517 12.503 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -24.574 -3.396 9.718 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -22.562 -3.277 13.475 1.00 0.00 H new ATOM 0 HZ PHE A 30 -24.515 -2.714 12.084 1.00 0.00 H new ATOM 486 N PHE A 31 -20.646 -4.686 6.351 1.00 0.00 N ATOM 487 CA PHE A 31 -21.374 -5.094 5.157 1.00 0.00 C ATOM 488 C PHE A 31 -20.524 -4.856 3.915 1.00 0.00 C ATOM 489 O PHE A 31 -20.498 -5.677 2.998 1.00 0.00 O ATOM 490 CB PHE A 31 -22.690 -4.322 5.045 1.00 0.00 C ATOM 491 CG PHE A 31 -23.769 -4.838 5.953 1.00 0.00 C ATOM 492 CD1 PHE A 31 -24.103 -6.183 5.960 1.00 0.00 C ATOM 493 CD2 PHE A 31 -24.449 -3.978 6.801 1.00 0.00 C ATOM 494 CE1 PHE A 31 -25.095 -6.661 6.795 1.00 0.00 C ATOM 495 CE2 PHE A 31 -25.442 -4.450 7.638 1.00 0.00 C ATOM 496 CZ PHE A 31 -25.765 -5.793 7.635 1.00 0.00 C ATOM 0 H PHE A 31 -20.105 -3.829 6.239 1.00 0.00 H new ATOM 0 HA PHE A 31 -21.597 -6.158 5.235 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -22.506 -3.272 5.273 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -23.042 -4.367 4.014 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -23.582 -6.866 5.305 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -24.200 -2.927 6.808 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -25.346 -7.711 6.791 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -25.965 -3.770 8.294 1.00 0.00 H new ATOM 0 HZ PHE A 31 -26.541 -6.164 8.289 1.00 0.00 H new ATOM 506 N GLU A 32 -19.826 -3.724 3.898 1.00 0.00 N ATOM 507 CA GLU A 32 -18.968 -3.369 2.778 1.00 0.00 C ATOM 508 C GLU A 32 -17.500 -3.645 3.100 1.00 0.00 C ATOM 509 O GLU A 32 -16.670 -3.739 2.200 1.00 0.00 O ATOM 510 CB GLU A 32 -19.153 -1.895 2.417 1.00 0.00 C ATOM 511 CG GLU A 32 -20.383 -1.625 1.567 1.00 0.00 C ATOM 512 CD GLU A 32 -20.313 -2.298 0.211 1.00 0.00 C ATOM 513 OE1 GLU A 32 -20.640 -3.500 0.126 1.00 0.00 O ATOM 514 OE2 GLU A 32 -19.929 -1.623 -0.768 1.00 0.00 O ATOM 0 H GLU A 32 -19.840 -3.036 4.651 1.00 0.00 H new ATOM 0 HA GLU A 32 -19.254 -3.986 1.926 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -19.221 -1.311 3.335 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -18.269 -1.547 1.882 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -21.270 -1.974 2.096 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -20.496 -0.550 1.429 1.00 0.00 H new ATOM 521 N ARG A 33 -17.179 -3.772 4.386 1.00 0.00 N ATOM 522 CA ARG A 33 -15.804 -4.035 4.802 1.00 0.00 C ATOM 523 C ARG A 33 -15.242 -5.260 4.086 1.00 0.00 C ATOM 524 O ARG A 33 -14.076 -5.284 3.693 1.00 0.00 O ATOM 525 CB ARG A 33 -15.727 -4.235 6.317 1.00 0.00 C ATOM 526 CG ARG A 33 -14.306 -4.384 6.838 1.00 0.00 C ATOM 527 CD ARG A 33 -14.188 -5.536 7.823 1.00 0.00 C ATOM 528 NE ARG A 33 -13.602 -6.724 7.207 1.00 0.00 N ATOM 529 CZ ARG A 33 -13.466 -7.893 7.830 1.00 0.00 C ATOM 530 NH1 ARG A 33 -13.872 -8.034 9.086 1.00 0.00 N ATOM 531 NH2 ARG A 33 -12.923 -8.923 7.195 1.00 0.00 N ATOM 0 H ARG A 33 -17.847 -3.698 5.153 1.00 0.00 H new ATOM 0 HA ARG A 33 -15.202 -3.168 4.530 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -16.200 -3.387 6.812 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -16.300 -5.122 6.588 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -13.627 -4.549 6.002 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -13.997 -3.458 7.322 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -13.576 -5.227 8.670 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -15.175 -5.780 8.215 1.00 0.00 H new ATOM 0 HE ARG A 33 -13.278 -6.654 6.242 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -14.290 -7.245 9.578 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -13.766 -8.932 9.559 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -12.610 -8.820 6.230 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -12.819 -9.819 7.672 1.00 0.00 H new ATOM 545 N SER A 34 -16.079 -6.276 3.918 1.00 0.00 N ATOM 546 CA SER A 34 -15.665 -7.501 3.248 1.00 0.00 C ATOM 547 C SER A 34 -15.489 -7.269 1.750 1.00 0.00 C ATOM 548 O SER A 34 -14.409 -7.488 1.198 1.00 0.00 O ATOM 549 CB SER A 34 -16.695 -8.606 3.489 1.00 0.00 C ATOM 550 OG SER A 34 -16.161 -9.880 3.176 1.00 0.00 O ATOM 0 H SER A 34 -17.048 -6.276 4.236 1.00 0.00 H new ATOM 0 HA SER A 34 -14.705 -7.810 3.663 1.00 0.00 H new ATOM 0 HB2 SER A 34 -17.014 -8.588 4.531 1.00 0.00 H new ATOM 0 HB3 SER A 34 -17.581 -8.420 2.881 1.00 0.00 H new ATOM 0 HG SER A 34 -16.839 -10.568 3.340 1.00 0.00 H new ATOM 556 N SER A 35 -16.559 -6.824 1.099 1.00 0.00 N ATOM 557 CA SER A 35 -16.530 -6.562 -0.336 1.00 0.00 C ATOM 558 C SER A 35 -15.445 -5.550 -0.691 1.00 0.00 C ATOM 559 O SER A 35 -14.582 -5.822 -1.526 1.00 0.00 O ATOM 560 CB SER A 35 -17.893 -6.052 -0.808 1.00 0.00 C ATOM 561 OG SER A 35 -18.421 -5.096 0.096 1.00 0.00 O ATOM 0 H SER A 35 -17.458 -6.637 1.543 1.00 0.00 H new ATOM 0 HA SER A 35 -16.301 -7.499 -0.843 1.00 0.00 H new ATOM 0 HB2 SER A 35 -17.795 -5.606 -1.798 1.00 0.00 H new ATOM 0 HB3 SER A 35 -18.585 -6.889 -0.903 1.00 0.00 H new ATOM 0 HG SER A 35 -19.256 -4.732 -0.264 1.00 0.00 H new ATOM 567 N VAL A 36 -15.494 -4.381 -0.057 1.00 0.00 N ATOM 568 CA VAL A 36 -14.510 -3.336 -0.319 1.00 0.00 C ATOM 569 C VAL A 36 -13.092 -3.857 -0.125 1.00 0.00 C ATOM 570 O VAL A 36 -12.225 -3.631 -0.965 1.00 0.00 O ATOM 571 CB VAL A 36 -14.707 -2.099 0.581 1.00 0.00 C ATOM 572 CG1 VAL A 36 -13.792 -0.975 0.129 1.00 0.00 C ATOM 573 CG2 VAL A 36 -16.154 -1.636 0.577 1.00 0.00 C ATOM 0 H VAL A 36 -16.200 -4.135 0.637 1.00 0.00 H new ATOM 0 HA VAL A 36 -14.660 -3.037 -1.356 1.00 0.00 H new ATOM 0 HB VAL A 36 -14.450 -2.380 1.602 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -13.939 -0.106 0.771 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -12.754 -1.302 0.193 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -14.025 -0.708 -0.902 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -16.258 -0.763 1.221 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -16.450 -1.375 -0.439 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -16.794 -2.438 0.946 1.00 0.00 H new ATOM 583 N GLY A 37 -12.858 -4.559 0.983 1.00 0.00 N ATOM 584 CA GLY A 37 -11.533 -5.097 1.246 1.00 0.00 C ATOM 585 C GLY A 37 -10.974 -5.834 0.048 1.00 0.00 C ATOM 586 O GLY A 37 -9.895 -5.503 -0.442 1.00 0.00 O ATOM 0 H GLY A 37 -13.556 -4.763 1.698 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -10.859 -4.285 1.519 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -11.579 -5.774 2.099 1.00 0.00 H new ATOM 590 N GLN A 38 -11.722 -6.817 -0.447 1.00 0.00 N ATOM 591 CA GLN A 38 -11.295 -7.568 -1.621 1.00 0.00 C ATOM 592 C GLN A 38 -11.054 -6.604 -2.773 1.00 0.00 C ATOM 593 O GLN A 38 -10.188 -6.821 -3.620 1.00 0.00 O ATOM 594 CB GLN A 38 -12.351 -8.601 -2.011 1.00 0.00 C ATOM 595 CG GLN A 38 -12.859 -9.412 -0.835 1.00 0.00 C ATOM 596 CD GLN A 38 -13.377 -10.777 -1.246 1.00 0.00 C ATOM 597 OE1 GLN A 38 -12.892 -11.374 -2.207 1.00 0.00 O ATOM 598 NE2 GLN A 38 -14.367 -11.277 -0.517 1.00 0.00 N ATOM 0 H GLN A 38 -12.618 -7.109 -0.057 1.00 0.00 H new ATOM 0 HA GLN A 38 -10.371 -8.097 -1.389 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -13.191 -8.091 -2.482 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -11.930 -9.277 -2.755 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -12.055 -9.536 -0.110 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -13.656 -8.861 -0.336 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -14.738 -10.747 0.271 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -14.757 -12.192 -0.745 1.00 0.00 H new ATOM 607 N PHE A 39 -11.825 -5.521 -2.774 1.00 0.00 N ATOM 608 CA PHE A 39 -11.707 -4.488 -3.787 1.00 0.00 C ATOM 609 C PHE A 39 -10.354 -3.800 -3.674 1.00 0.00 C ATOM 610 O PHE A 39 -9.629 -3.650 -4.658 1.00 0.00 O ATOM 611 CB PHE A 39 -12.829 -3.463 -3.614 1.00 0.00 C ATOM 612 CG PHE A 39 -13.270 -2.823 -4.896 1.00 0.00 C ATOM 613 CD1 PHE A 39 -13.529 -3.592 -6.019 1.00 0.00 C ATOM 614 CD2 PHE A 39 -13.430 -1.451 -4.975 1.00 0.00 C ATOM 615 CE1 PHE A 39 -13.939 -3.000 -7.199 1.00 0.00 C ATOM 616 CE2 PHE A 39 -13.839 -0.853 -6.150 1.00 0.00 C ATOM 617 CZ PHE A 39 -14.094 -1.628 -7.264 1.00 0.00 C ATOM 0 H PHE A 39 -12.545 -5.339 -2.074 1.00 0.00 H new ATOM 0 HA PHE A 39 -11.789 -4.945 -4.773 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -13.686 -3.952 -3.150 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -12.495 -2.685 -2.927 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -13.409 -4.664 -5.972 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -13.232 -0.840 -4.106 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -14.138 -3.609 -8.069 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -13.959 0.219 -6.198 1.00 0.00 H new ATOM 0 HZ PHE A 39 -14.414 -1.163 -8.185 1.00 0.00 H new ATOM 627 N MET A 40 -10.029 -3.386 -2.456 1.00 0.00 N ATOM 628 CA MET A 40 -8.775 -2.707 -2.177 1.00 0.00 C ATOM 629 C MET A 40 -7.572 -3.565 -2.556 1.00 0.00 C ATOM 630 O MET A 40 -6.746 -3.165 -3.376 1.00 0.00 O ATOM 631 CB MET A 40 -8.700 -2.345 -0.696 1.00 0.00 C ATOM 632 CG MET A 40 -9.699 -1.280 -0.275 1.00 0.00 C ATOM 633 SD MET A 40 -9.512 0.255 -1.202 1.00 0.00 S ATOM 634 CE MET A 40 -11.002 1.124 -0.719 1.00 0.00 C ATOM 0 H MET A 40 -10.626 -3.512 -1.638 1.00 0.00 H new ATOM 0 HA MET A 40 -8.746 -1.801 -2.783 1.00 0.00 H new ATOM 0 HB2 MET A 40 -8.869 -3.244 -0.103 1.00 0.00 H new ATOM 0 HB3 MET A 40 -7.693 -1.996 -0.467 1.00 0.00 H new ATOM 0 HG2 MET A 40 -10.711 -1.662 -0.413 1.00 0.00 H new ATOM 0 HG3 MET A 40 -9.578 -1.074 0.789 1.00 0.00 H new ATOM 0 HE1 MET A 40 -10.808 2.196 -0.702 1.00 0.00 H new ATOM 0 HE2 MET A 40 -11.796 0.910 -1.435 1.00 0.00 H new ATOM 0 HE3 MET A 40 -11.310 0.795 0.273 1.00 0.00 H new ATOM 644 N THR A 41 -7.473 -4.740 -1.944 1.00 0.00 N ATOM 645 CA THR A 41 -6.362 -5.648 -2.206 1.00 0.00 C ATOM 646 C THR A 41 -6.297 -6.036 -3.678 1.00 0.00 C ATOM 647 O THR A 41 -5.309 -5.761 -4.348 1.00 0.00 O ATOM 648 CB THR A 41 -6.502 -6.904 -1.353 1.00 0.00 C ATOM 649 OG1 THR A 41 -6.899 -6.575 -0.034 1.00 0.00 O ATOM 650 CG2 THR A 41 -5.226 -7.713 -1.263 1.00 0.00 C ATOM 0 H THR A 41 -8.149 -5.086 -1.263 1.00 0.00 H new ATOM 0 HA THR A 41 -5.439 -5.129 -1.948 1.00 0.00 H new ATOM 0 HB THR A 41 -7.260 -7.508 -1.852 1.00 0.00 H new ATOM 0 HG1 THR A 41 -6.984 -7.395 0.496 1.00 0.00 H new ATOM 0 HG21 THR A 41 -5.396 -8.592 -0.642 1.00 0.00 H new ATOM 0 HG22 THR A 41 -4.923 -8.027 -2.262 1.00 0.00 H new ATOM 0 HG23 THR A 41 -4.439 -7.103 -0.821 1.00 0.00 H new ATOM 658 N PHE A 42 -7.355 -6.676 -4.175 1.00 0.00 N ATOM 659 CA PHE A 42 -7.414 -7.099 -5.575 1.00 0.00 C ATOM 660 C PHE A 42 -6.846 -6.018 -6.488 1.00 0.00 C ATOM 661 O PHE A 42 -6.138 -6.307 -7.454 1.00 0.00 O ATOM 662 CB PHE A 42 -8.855 -7.418 -5.974 1.00 0.00 C ATOM 663 CG PHE A 42 -8.974 -8.078 -7.319 1.00 0.00 C ATOM 664 CD1 PHE A 42 -8.128 -9.117 -7.672 1.00 0.00 C ATOM 665 CD2 PHE A 42 -9.932 -7.660 -8.228 1.00 0.00 C ATOM 666 CE1 PHE A 42 -8.235 -9.726 -8.908 1.00 0.00 C ATOM 667 CE2 PHE A 42 -10.044 -8.265 -9.465 1.00 0.00 C ATOM 668 CZ PHE A 42 -9.194 -9.299 -9.806 1.00 0.00 C ATOM 0 H PHE A 42 -8.183 -6.913 -3.629 1.00 0.00 H new ATOM 0 HA PHE A 42 -6.810 -7.999 -5.685 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -9.297 -8.068 -5.219 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -9.435 -6.495 -5.979 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -7.377 -9.455 -6.974 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -10.599 -6.852 -7.967 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -7.570 -10.535 -9.172 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -10.795 -7.930 -10.165 1.00 0.00 H new ATOM 0 HZ PHE A 42 -9.279 -9.773 -10.773 1.00 0.00 H new ATOM 678 N PHE A 43 -7.146 -4.769 -6.157 1.00 0.00 N ATOM 679 CA PHE A 43 -6.652 -3.639 -6.927 1.00 0.00 C ATOM 680 C PHE A 43 -5.189 -3.384 -6.602 1.00 0.00 C ATOM 681 O PHE A 43 -4.376 -3.146 -7.492 1.00 0.00 O ATOM 682 CB PHE A 43 -7.474 -2.386 -6.624 1.00 0.00 C ATOM 683 CG PHE A 43 -8.281 -1.909 -7.791 1.00 0.00 C ATOM 684 CD1 PHE A 43 -7.660 -1.556 -8.976 1.00 0.00 C ATOM 685 CD2 PHE A 43 -9.658 -1.816 -7.704 1.00 0.00 C ATOM 686 CE1 PHE A 43 -8.399 -1.118 -10.056 1.00 0.00 C ATOM 687 CE2 PHE A 43 -10.405 -1.379 -8.778 1.00 0.00 C ATOM 688 CZ PHE A 43 -9.775 -1.028 -9.958 1.00 0.00 C ATOM 0 H PHE A 43 -7.729 -4.514 -5.360 1.00 0.00 H new ATOM 0 HA PHE A 43 -6.748 -3.875 -7.987 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -8.143 -2.592 -5.789 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -6.803 -1.588 -6.305 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -6.585 -1.624 -9.057 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -10.154 -2.089 -6.784 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -7.903 -0.846 -10.976 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -11.480 -1.311 -8.698 1.00 0.00 H new ATOM 0 HZ PHE A 43 -10.356 -0.684 -10.801 1.00 0.00 H new ATOM 698 N ALA A 44 -4.868 -3.440 -5.314 1.00 0.00 N ATOM 699 CA ALA A 44 -3.502 -3.215 -4.850 1.00 0.00 C ATOM 700 C ALA A 44 -2.536 -4.220 -5.476 1.00 0.00 C ATOM 701 O ALA A 44 -1.419 -3.872 -5.879 1.00 0.00 O ATOM 702 CB ALA A 44 -3.449 -3.289 -3.333 1.00 0.00 C ATOM 0 H ALA A 44 -5.537 -3.640 -4.570 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.191 -2.218 -5.164 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -2.426 -3.120 -2.996 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -4.102 -2.526 -2.908 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -3.781 -4.274 -3.005 1.00 0.00 H new ATOM 708 N GLU A 45 -2.983 -5.462 -5.573 1.00 0.00 N ATOM 709 CA GLU A 45 -2.182 -6.516 -6.167 1.00 0.00 C ATOM 710 C GLU A 45 -2.064 -6.281 -7.667 1.00 0.00 C ATOM 711 O GLU A 45 -0.995 -6.449 -8.253 1.00 0.00 O ATOM 712 CB GLU A 45 -2.818 -7.880 -5.886 1.00 0.00 C ATOM 713 CG GLU A 45 -4.207 -8.029 -6.475 1.00 0.00 C ATOM 714 CD GLU A 45 -4.758 -9.433 -6.327 1.00 0.00 C ATOM 715 OE1 GLU A 45 -4.896 -9.899 -5.176 1.00 0.00 O ATOM 716 OE2 GLU A 45 -5.053 -10.068 -7.361 1.00 0.00 O ATOM 0 H GLU A 45 -3.901 -5.764 -5.246 1.00 0.00 H new ATOM 0 HA GLU A 45 -1.185 -6.505 -5.728 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -2.175 -8.662 -6.289 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -2.870 -8.033 -4.808 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -4.881 -7.325 -5.987 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -4.179 -7.764 -7.532 1.00 0.00 H new ATOM 723 N THR A 46 -3.172 -5.870 -8.279 1.00 0.00 N ATOM 724 CA THR A 46 -3.199 -5.589 -9.709 1.00 0.00 C ATOM 725 C THR A 46 -2.215 -4.472 -10.044 1.00 0.00 C ATOM 726 O THR A 46 -1.356 -4.631 -10.909 1.00 0.00 O ATOM 727 CB THR A 46 -4.621 -5.209 -10.144 1.00 0.00 C ATOM 728 OG1 THR A 46 -5.398 -6.370 -10.377 1.00 0.00 O ATOM 729 CG2 THR A 46 -4.676 -4.365 -11.402 1.00 0.00 C ATOM 0 H THR A 46 -4.063 -5.724 -7.805 1.00 0.00 H new ATOM 0 HA THR A 46 -2.900 -6.485 -10.253 1.00 0.00 H new ATOM 0 HB THR A 46 -5.017 -4.617 -9.319 1.00 0.00 H new ATOM 0 HG1 THR A 46 -5.824 -6.652 -9.541 1.00 0.00 H new ATOM 0 HG21 THR A 46 -5.715 -4.139 -11.643 1.00 0.00 H new ATOM 0 HG22 THR A 46 -4.130 -3.435 -11.241 1.00 0.00 H new ATOM 0 HG23 THR A 46 -4.223 -4.913 -12.228 1.00 0.00 H new ATOM 737 N VAL A 47 -2.338 -3.343 -9.349 1.00 0.00 N ATOM 738 CA VAL A 47 -1.442 -2.209 -9.582 1.00 0.00 C ATOM 739 C VAL A 47 -0.002 -2.670 -9.637 1.00 0.00 C ATOM 740 O VAL A 47 0.667 -2.510 -10.653 1.00 0.00 O ATOM 741 CB VAL A 47 -1.534 -1.114 -8.498 1.00 0.00 C ATOM 742 CG1 VAL A 47 -2.247 0.106 -9.018 1.00 0.00 C ATOM 743 CG2 VAL A 47 -2.207 -1.605 -7.242 1.00 0.00 C ATOM 0 H VAL A 47 -3.041 -3.188 -8.627 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.765 -1.783 -10.532 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.509 -0.846 -8.243 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -2.297 0.860 -8.233 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -1.704 0.508 -9.873 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -3.257 -0.166 -9.325 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -2.247 -0.797 -6.511 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -3.220 -1.933 -7.476 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -1.642 -2.441 -6.829 1.00 0.00 H new ATOM 753 N ALA A 48 0.477 -3.249 -8.542 1.00 0.00 N ATOM 754 CA ALA A 48 1.847 -3.729 -8.507 1.00 0.00 C ATOM 755 C ALA A 48 2.106 -4.648 -9.697 1.00 0.00 C ATOM 756 O ALA A 48 3.215 -4.691 -10.231 1.00 0.00 O ATOM 757 CB ALA A 48 2.140 -4.418 -7.191 1.00 0.00 C ATOM 0 H ALA A 48 -0.054 -3.394 -7.683 1.00 0.00 H new ATOM 0 HA ALA A 48 2.525 -2.879 -8.583 1.00 0.00 H new ATOM 0 HB1 ALA A 48 3.172 -4.770 -7.186 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.993 -3.715 -6.371 1.00 0.00 H new ATOM 0 HB3 ALA A 48 1.467 -5.266 -7.067 1.00 0.00 H new ATOM 763 N SER A 49 1.060 -5.351 -10.138 1.00 0.00 N ATOM 764 CA SER A 49 1.172 -6.225 -11.296 1.00 0.00 C ATOM 765 C SER A 49 1.312 -5.369 -12.549 1.00 0.00 C ATOM 766 O SER A 49 2.034 -5.721 -13.482 1.00 0.00 O ATOM 767 CB SER A 49 -0.048 -7.142 -11.414 1.00 0.00 C ATOM 768 OG SER A 49 -0.327 -7.784 -10.182 1.00 0.00 O ATOM 0 H SER A 49 0.134 -5.329 -9.711 1.00 0.00 H new ATOM 0 HA SER A 49 2.051 -6.858 -11.180 1.00 0.00 H new ATOM 0 HB2 SER A 49 -0.915 -6.560 -11.728 1.00 0.00 H new ATOM 0 HB3 SER A 49 0.130 -7.891 -12.185 1.00 0.00 H new ATOM 0 HG SER A 49 -0.788 -7.159 -9.584 1.00 0.00 H new ATOM 774 N ARG A 50 0.632 -4.221 -12.542 1.00 0.00 N ATOM 775 CA ARG A 50 0.694 -3.284 -13.657 1.00 0.00 C ATOM 776 C ARG A 50 1.985 -2.490 -13.593 1.00 0.00 C ATOM 777 O ARG A 50 2.547 -2.109 -14.620 1.00 0.00 O ATOM 778 CB ARG A 50 -0.494 -2.320 -13.637 1.00 0.00 C ATOM 779 CG ARG A 50 -1.840 -2.996 -13.442 1.00 0.00 C ATOM 780 CD ARG A 50 -2.781 -2.124 -12.623 1.00 0.00 C ATOM 781 NE ARG A 50 -4.045 -1.881 -13.315 1.00 0.00 N ATOM 782 CZ ARG A 50 -4.169 -1.079 -14.371 1.00 0.00 C ATOM 783 NH1 ARG A 50 -3.110 -0.446 -14.860 1.00 0.00 N ATOM 784 NH2 ARG A 50 -5.355 -0.912 -14.940 1.00 0.00 N ATOM 0 H ARG A 50 0.032 -3.921 -11.774 1.00 0.00 H new ATOM 0 HA ARG A 50 0.658 -3.860 -14.582 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -0.345 -1.594 -12.838 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -0.512 -1.763 -14.574 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -2.288 -3.207 -14.413 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -1.700 -3.954 -12.941 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -2.979 -2.605 -11.665 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -2.297 -1.171 -12.408 1.00 0.00 H new ATOM 0 HE ARG A 50 -4.881 -2.353 -12.969 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -2.195 -0.573 -14.427 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -3.211 0.167 -15.669 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -6.172 -1.398 -14.569 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -5.451 -0.298 -15.749 1.00 0.00 H new ATOM 798 N THR A 51 2.455 -2.252 -12.377 1.00 0.00 N ATOM 799 CA THR A 51 3.680 -1.515 -12.178 1.00 0.00 C ATOM 800 C THR A 51 4.862 -2.471 -12.217 1.00 0.00 C ATOM 801 O THR A 51 5.089 -3.239 -11.282 1.00 0.00 O ATOM 802 CB THR A 51 3.620 -0.773 -10.842 1.00 0.00 C ATOM 803 OG1 THR A 51 2.303 -0.318 -10.598 1.00 0.00 O ATOM 804 CG2 THR A 51 4.542 0.425 -10.777 1.00 0.00 C ATOM 0 H THR A 51 2.002 -2.561 -11.517 1.00 0.00 H new ATOM 0 HA THR A 51 3.804 -0.781 -12.974 1.00 0.00 H new ATOM 0 HB THR A 51 3.943 -1.492 -10.089 1.00 0.00 H new ATOM 0 HG1 THR A 51 1.704 -1.087 -10.501 1.00 0.00 H new ATOM 0 HG21 THR A 51 4.448 0.904 -9.802 1.00 0.00 H new ATOM 0 HG22 THR A 51 5.572 0.100 -10.924 1.00 0.00 H new ATOM 0 HG23 THR A 51 4.271 1.136 -11.558 1.00 0.00 H new ATOM 812 N GLY A 52 5.607 -2.424 -13.314 1.00 0.00 N ATOM 813 CA GLY A 52 6.756 -3.297 -13.473 1.00 0.00 C ATOM 814 C GLY A 52 8.016 -2.729 -12.852 1.00 0.00 C ATOM 815 O GLY A 52 9.090 -2.786 -13.451 1.00 0.00 O ATOM 0 H GLY A 52 5.436 -1.795 -14.099 1.00 0.00 H new ATOM 0 HA2 GLY A 52 6.537 -4.264 -13.020 1.00 0.00 H new ATOM 0 HA3 GLY A 52 6.928 -3.474 -14.535 1.00 0.00 H new ATOM 819 N ALA A 53 7.886 -2.182 -11.648 1.00 0.00 N ATOM 820 CA ALA A 53 9.024 -1.601 -10.945 1.00 0.00 C ATOM 821 C ALA A 53 9.649 -0.465 -11.748 1.00 0.00 C ATOM 822 O ALA A 53 9.557 -0.433 -12.975 1.00 0.00 O ATOM 823 CB ALA A 53 10.065 -2.669 -10.640 1.00 0.00 C ATOM 0 H ALA A 53 7.004 -2.129 -11.139 1.00 0.00 H new ATOM 0 HA ALA A 53 8.659 -1.188 -10.005 1.00 0.00 H new ATOM 0 HB1 ALA A 53 10.907 -2.217 -10.115 1.00 0.00 H new ATOM 0 HB2 ALA A 53 9.620 -3.442 -10.014 1.00 0.00 H new ATOM 0 HB3 ALA A 53 10.414 -3.113 -11.572 1.00 0.00 H new ATOM 829 N GLY A 54 10.284 0.468 -11.047 1.00 0.00 N ATOM 830 CA GLY A 54 10.914 1.593 -11.712 1.00 0.00 C ATOM 831 C GLY A 54 9.930 2.693 -12.066 1.00 0.00 C ATOM 832 O GLY A 54 10.315 3.716 -12.633 1.00 0.00 O ATOM 0 H GLY A 54 10.374 0.465 -10.031 1.00 0.00 H new ATOM 0 HA2 GLY A 54 11.692 2.001 -11.067 1.00 0.00 H new ATOM 0 HA3 GLY A 54 11.404 1.244 -12.621 1.00 0.00 H new ATOM 836 N GLU A 55 8.658 2.487 -11.735 1.00 0.00 N ATOM 837 CA GLU A 55 7.628 3.476 -12.027 1.00 0.00 C ATOM 838 C GLU A 55 6.542 3.473 -10.956 1.00 0.00 C ATOM 839 O GLU A 55 6.476 2.567 -10.126 1.00 0.00 O ATOM 840 CB GLU A 55 7.009 3.208 -13.400 1.00 0.00 C ATOM 841 CG GLU A 55 6.277 1.879 -13.487 1.00 0.00 C ATOM 842 CD GLU A 55 5.839 1.547 -14.901 1.00 0.00 C ATOM 843 OE1 GLU A 55 6.563 1.918 -15.849 1.00 0.00 O ATOM 844 OE2 GLU A 55 4.774 0.916 -15.059 1.00 0.00 O ATOM 0 H GLU A 55 8.318 1.647 -11.266 1.00 0.00 H new ATOM 0 HA GLU A 55 8.099 4.459 -12.033 1.00 0.00 H new ATOM 0 HB2 GLU A 55 6.314 4.013 -13.640 1.00 0.00 H new ATOM 0 HB3 GLU A 55 7.795 3.231 -14.155 1.00 0.00 H new ATOM 0 HG2 GLU A 55 6.926 1.086 -13.116 1.00 0.00 H new ATOM 0 HG3 GLU A 55 5.403 1.906 -12.837 1.00 0.00 H new ATOM 851 N ARG A 56 5.693 4.496 -10.982 1.00 0.00 N ATOM 852 CA ARG A 56 4.608 4.618 -10.016 1.00 0.00 C ATOM 853 C ARG A 56 3.253 4.618 -10.718 1.00 0.00 C ATOM 854 O ARG A 56 3.164 4.903 -11.912 1.00 0.00 O ATOM 855 CB ARG A 56 4.770 5.903 -9.201 1.00 0.00 C ATOM 856 CG ARG A 56 6.109 6.008 -8.489 1.00 0.00 C ATOM 857 CD ARG A 56 6.386 7.430 -8.024 1.00 0.00 C ATOM 858 NE ARG A 56 7.689 7.910 -8.478 1.00 0.00 N ATOM 859 CZ ARG A 56 7.920 8.386 -9.700 1.00 0.00 C ATOM 860 NH1 ARG A 56 6.941 8.443 -10.594 1.00 0.00 N ATOM 861 NH2 ARG A 56 9.135 8.805 -10.029 1.00 0.00 N ATOM 0 H ARG A 56 5.736 5.254 -11.663 1.00 0.00 H new ATOM 0 HA ARG A 56 4.651 3.759 -9.346 1.00 0.00 H new ATOM 0 HB2 ARG A 56 4.652 6.761 -9.863 1.00 0.00 H new ATOM 0 HB3 ARG A 56 3.970 5.958 -8.463 1.00 0.00 H new ATOM 0 HG2 ARG A 56 6.119 5.336 -7.631 1.00 0.00 H new ATOM 0 HG3 ARG A 56 6.905 5.682 -9.159 1.00 0.00 H new ATOM 0 HD2 ARG A 56 5.605 8.092 -8.398 1.00 0.00 H new ATOM 0 HD3 ARG A 56 6.344 7.470 -6.936 1.00 0.00 H new ATOM 0 HE ARG A 56 8.468 7.879 -7.820 1.00 0.00 H new ATOM 0 HH11 ARG A 56 6.005 8.121 -10.347 1.00 0.00 H new ATOM 0 HH12 ARG A 56 7.124 8.809 -11.528 1.00 0.00 H new ATOM 0 HH21 ARG A 56 9.891 8.762 -9.346 1.00 0.00 H new ATOM 0 HH22 ARG A 56 9.313 9.170 -10.965 1.00 0.00 H new ATOM 875 N GLN A 57 2.200 4.300 -9.970 1.00 0.00 N ATOM 876 CA GLN A 57 0.848 4.272 -10.538 1.00 0.00 C ATOM 877 C GLN A 57 -0.184 4.863 -9.587 1.00 0.00 C ATOM 878 O GLN A 57 -0.052 4.781 -8.370 1.00 0.00 O ATOM 879 CB GLN A 57 0.425 2.839 -10.900 1.00 0.00 C ATOM 880 CG GLN A 57 1.163 2.272 -12.101 1.00 0.00 C ATOM 881 CD GLN A 57 0.234 1.608 -13.097 1.00 0.00 C ATOM 882 OE1 GLN A 57 -0.437 0.626 -12.778 1.00 0.00 O ATOM 883 NE2 GLN A 57 0.189 2.142 -14.312 1.00 0.00 N ATOM 0 H GLN A 57 2.251 4.060 -8.980 1.00 0.00 H new ATOM 0 HA GLN A 57 0.884 4.882 -11.440 1.00 0.00 H new ATOM 0 HB2 GLN A 57 0.595 2.191 -10.040 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -0.646 2.825 -11.103 1.00 0.00 H new ATOM 0 HG2 GLN A 57 1.709 3.073 -12.598 1.00 0.00 H new ATOM 0 HG3 GLN A 57 1.902 1.547 -11.759 1.00 0.00 H new ATOM 0 HE21 GLN A 57 0.762 2.956 -14.533 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -0.419 1.738 -15.024 1.00 0.00 H new ATOM 892 N SER A 58 -1.233 5.429 -10.165 1.00 0.00 N ATOM 893 CA SER A 58 -2.320 5.998 -9.401 1.00 0.00 C ATOM 894 C SER A 58 -3.634 5.587 -10.053 1.00 0.00 C ATOM 895 O SER A 58 -4.026 6.127 -11.087 1.00 0.00 O ATOM 896 CB SER A 58 -2.204 7.522 -9.338 1.00 0.00 C ATOM 897 OG SER A 58 -1.627 7.940 -8.113 1.00 0.00 O ATOM 0 H SER A 58 -1.349 5.504 -11.176 1.00 0.00 H new ATOM 0 HA SER A 58 -2.281 5.626 -8.377 1.00 0.00 H new ATOM 0 HB2 SER A 58 -1.596 7.878 -10.170 1.00 0.00 H new ATOM 0 HB3 SER A 58 -3.191 7.970 -9.450 1.00 0.00 H new ATOM 0 HG SER A 58 -2.285 7.845 -7.393 1.00 0.00 H new ATOM 903 N ILE A 59 -4.292 4.609 -9.453 1.00 0.00 N ATOM 904 CA ILE A 59 -5.554 4.087 -9.980 1.00 0.00 C ATOM 905 C ILE A 59 -6.732 4.905 -9.476 1.00 0.00 C ATOM 906 O ILE A 59 -7.141 4.784 -8.323 1.00 0.00 O ATOM 907 CB ILE A 59 -5.766 2.594 -9.610 1.00 0.00 C ATOM 908 CG1 ILE A 59 -4.639 2.106 -8.705 1.00 0.00 C ATOM 909 CG2 ILE A 59 -5.838 1.735 -10.862 1.00 0.00 C ATOM 910 CD1 ILE A 59 -4.927 0.806 -8.000 1.00 0.00 C ATOM 0 H ILE A 59 -3.976 4.155 -8.596 1.00 0.00 H new ATOM 0 HA ILE A 59 -5.496 4.165 -11.066 1.00 0.00 H new ATOM 0 HB ILE A 59 -6.711 2.507 -9.075 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -3.735 1.989 -9.302 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -4.431 2.872 -7.958 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -5.987 0.693 -10.580 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -6.671 2.065 -11.483 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -4.908 1.830 -11.422 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -4.074 0.533 -7.378 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -5.811 0.920 -7.373 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -5.104 0.023 -8.738 1.00 0.00 H new ATOM 922 N GLU A 60 -7.268 5.740 -10.355 1.00 0.00 N ATOM 923 CA GLU A 60 -8.398 6.592 -10.014 1.00 0.00 C ATOM 924 C GLU A 60 -9.720 5.867 -10.238 1.00 0.00 C ATOM 925 O GLU A 60 -10.042 5.468 -11.358 1.00 0.00 O ATOM 926 CB GLU A 60 -8.361 7.877 -10.843 1.00 0.00 C ATOM 927 CG GLU A 60 -7.013 8.579 -10.816 1.00 0.00 C ATOM 928 CD GLU A 60 -6.266 8.459 -12.130 1.00 0.00 C ATOM 929 OE1 GLU A 60 -6.916 8.543 -13.193 1.00 0.00 O ATOM 930 OE2 GLU A 60 -5.030 8.281 -12.096 1.00 0.00 O ATOM 0 H GLU A 60 -6.936 5.846 -11.314 1.00 0.00 H new ATOM 0 HA GLU A 60 -8.321 6.845 -8.957 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -8.618 7.641 -11.876 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -9.125 8.561 -10.473 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -7.161 9.633 -10.582 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -6.404 8.157 -10.016 1.00 0.00 H new ATOM 937 N GLU A 61 -10.481 5.706 -9.164 1.00 0.00 N ATOM 938 CA GLU A 61 -11.772 5.036 -9.228 1.00 0.00 C ATOM 939 C GLU A 61 -12.892 6.013 -8.888 1.00 0.00 C ATOM 940 O GLU A 61 -12.633 7.149 -8.493 1.00 0.00 O ATOM 941 CB GLU A 61 -11.803 3.843 -8.269 1.00 0.00 C ATOM 942 CG GLU A 61 -12.253 2.548 -8.926 1.00 0.00 C ATOM 943 CD GLU A 61 -13.737 2.293 -8.754 1.00 0.00 C ATOM 944 OE1 GLU A 61 -14.239 2.446 -7.621 1.00 0.00 O ATOM 945 OE2 GLU A 61 -14.398 1.939 -9.754 1.00 0.00 O ATOM 0 H GLU A 61 -10.224 6.033 -8.233 1.00 0.00 H new ATOM 0 HA GLU A 61 -11.922 4.670 -10.244 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -10.808 3.700 -7.847 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -12.472 4.071 -7.439 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -12.015 2.582 -9.989 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -11.693 1.715 -8.500 1.00 0.00 H new ATOM 952 N GLY A 62 -14.136 5.565 -9.045 1.00 0.00 N ATOM 953 CA GLY A 62 -15.282 6.413 -8.750 1.00 0.00 C ATOM 954 C GLY A 62 -15.100 7.237 -7.486 1.00 0.00 C ATOM 955 O GLY A 62 -15.643 8.335 -7.370 1.00 0.00 O ATOM 0 H GLY A 62 -14.372 4.628 -9.372 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -15.458 7.083 -9.592 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -16.171 5.791 -8.647 1.00 0.00 H new ATOM 959 N ASN A 63 -14.331 6.707 -6.538 1.00 0.00 N ATOM 960 CA ASN A 63 -14.078 7.403 -5.283 1.00 0.00 C ATOM 961 C ASN A 63 -12.880 6.797 -4.554 1.00 0.00 C ATOM 962 O ASN A 63 -12.894 6.651 -3.331 1.00 0.00 O ATOM 963 CB ASN A 63 -15.322 7.350 -4.390 1.00 0.00 C ATOM 964 CG ASN A 63 -15.812 8.731 -4.000 1.00 0.00 C ATOM 965 OD1 ASN A 63 -17.001 9.032 -4.103 1.00 0.00 O ATOM 966 ND2 ASN A 63 -14.895 9.580 -3.551 1.00 0.00 N ATOM 0 H ASN A 63 -13.874 5.799 -6.617 1.00 0.00 H new ATOM 0 HA ASN A 63 -13.847 8.444 -5.511 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -16.118 6.819 -4.912 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -15.095 6.780 -3.489 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -15.166 10.524 -3.275 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -13.920 9.288 -3.482 1.00 0.00 H new ATOM 973 N TYR A 64 -11.843 6.442 -5.310 1.00 0.00 N ATOM 974 CA TYR A 64 -10.643 5.850 -4.727 1.00 0.00 C ATOM 975 C TYR A 64 -9.412 6.098 -5.598 1.00 0.00 C ATOM 976 O TYR A 64 -9.514 6.235 -6.817 1.00 0.00 O ATOM 977 CB TYR A 64 -10.825 4.340 -4.544 1.00 0.00 C ATOM 978 CG TYR A 64 -12.118 3.939 -3.867 1.00 0.00 C ATOM 979 CD1 TYR A 64 -13.304 3.846 -4.586 1.00 0.00 C ATOM 980 CD2 TYR A 64 -12.148 3.639 -2.511 1.00 0.00 C ATOM 981 CE1 TYR A 64 -14.483 3.468 -3.971 1.00 0.00 C ATOM 982 CE2 TYR A 64 -13.324 3.261 -1.889 1.00 0.00 C ATOM 983 CZ TYR A 64 -14.488 3.177 -2.623 1.00 0.00 C ATOM 984 OH TYR A 64 -15.659 2.799 -2.008 1.00 0.00 O ATOM 0 H TYR A 64 -11.810 6.554 -6.323 1.00 0.00 H new ATOM 0 HA TYR A 64 -10.489 6.326 -3.759 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -10.778 3.860 -5.522 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -9.989 3.955 -3.960 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -13.304 4.073 -5.642 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -11.238 3.702 -1.933 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -15.396 3.401 -4.544 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -13.330 3.033 -0.833 1.00 0.00 H new ATOM 0 HH TYR A 64 -15.489 2.629 -1.058 1.00 0.00 H new ATOM 994 N ILE A 65 -8.245 6.115 -4.960 1.00 0.00 N ATOM 995 CA ILE A 65 -6.977 6.300 -5.659 1.00 0.00 C ATOM 996 C ILE A 65 -5.980 5.256 -5.188 1.00 0.00 C ATOM 997 O ILE A 65 -5.517 5.310 -4.052 1.00 0.00 O ATOM 998 CB ILE A 65 -6.355 7.698 -5.424 1.00 0.00 C ATOM 999 CG1 ILE A 65 -6.981 8.731 -6.364 1.00 0.00 C ATOM 1000 CG2 ILE A 65 -4.834 7.649 -5.621 1.00 0.00 C ATOM 1001 CD1 ILE A 65 -6.135 9.975 -6.538 1.00 0.00 C ATOM 0 H ILE A 65 -8.152 6.002 -3.951 1.00 0.00 H new ATOM 0 HA ILE A 65 -7.192 6.200 -6.723 1.00 0.00 H new ATOM 0 HB ILE A 65 -6.562 7.997 -4.396 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -7.144 8.272 -7.339 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -7.960 9.017 -5.978 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -4.413 8.640 -5.452 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -4.398 6.944 -4.913 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -4.609 7.328 -6.638 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -6.637 10.665 -7.216 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -5.993 10.456 -5.571 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -5.165 9.700 -6.953 1.00 0.00 H new ATOM 1013 N GLY A 66 -5.635 4.323 -6.058 1.00 0.00 N ATOM 1014 CA GLY A 66 -4.678 3.306 -5.684 1.00 0.00 C ATOM 1015 C GLY A 66 -3.272 3.694 -6.047 1.00 0.00 C ATOM 1016 O GLY A 66 -2.731 3.247 -7.058 1.00 0.00 O ATOM 0 H GLY A 66 -5.997 4.251 -7.009 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -4.739 3.128 -4.610 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -4.934 2.368 -6.177 1.00 0.00 H new ATOM 1020 N HIS A 67 -2.667 4.526 -5.217 1.00 0.00 N ATOM 1021 CA HIS A 67 -1.314 4.960 -5.467 1.00 0.00 C ATOM 1022 C HIS A 67 -0.404 3.744 -5.618 1.00 0.00 C ATOM 1023 O HIS A 67 -0.759 2.638 -5.213 1.00 0.00 O ATOM 1024 CB HIS A 67 -0.814 5.864 -4.341 1.00 0.00 C ATOM 1025 CG HIS A 67 -1.461 7.213 -4.326 1.00 0.00 C ATOM 1026 ND1 HIS A 67 -1.397 8.094 -5.385 1.00 0.00 N ATOM 1027 CD2 HIS A 67 -2.191 7.829 -3.370 1.00 0.00 C ATOM 1028 CE1 HIS A 67 -2.061 9.195 -5.079 1.00 0.00 C ATOM 1029 NE2 HIS A 67 -2.553 9.059 -3.861 1.00 0.00 N ATOM 0 H HIS A 67 -3.091 4.909 -4.372 1.00 0.00 H new ATOM 0 HA HIS A 67 -1.298 5.537 -6.392 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -0.994 5.373 -3.385 1.00 0.00 H new ATOM 0 HB3 HIS A 67 0.265 5.988 -4.437 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -0.913 7.923 -6.266 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -2.443 7.428 -2.399 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -2.181 10.059 -5.716 1.00 0.00 H new ATOM 1038 N VAL A 68 0.754 3.944 -6.216 1.00 0.00 N ATOM 1039 CA VAL A 68 1.692 2.855 -6.432 1.00 0.00 C ATOM 1040 C VAL A 68 3.116 3.381 -6.401 1.00 0.00 C ATOM 1041 O VAL A 68 3.450 4.337 -7.100 1.00 0.00 O ATOM 1042 CB VAL A 68 1.422 2.165 -7.790 1.00 0.00 C ATOM 1043 CG1 VAL A 68 2.691 1.658 -8.440 1.00 0.00 C ATOM 1044 CG2 VAL A 68 0.449 1.018 -7.659 1.00 0.00 C ATOM 0 H VAL A 68 1.070 4.850 -6.562 1.00 0.00 H new ATOM 0 HA VAL A 68 1.559 2.124 -5.634 1.00 0.00 H new ATOM 0 HB VAL A 68 0.984 2.935 -8.425 1.00 0.00 H new ATOM 0 HG11 VAL A 68 2.448 1.182 -9.390 1.00 0.00 H new ATOM 0 HG12 VAL A 68 3.369 2.493 -8.615 1.00 0.00 H new ATOM 0 HG13 VAL A 68 3.171 0.933 -7.783 1.00 0.00 H new ATOM 0 HG21 VAL A 68 0.289 0.563 -8.637 1.00 0.00 H new ATOM 0 HG22 VAL A 68 0.855 0.273 -6.974 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -0.500 1.388 -7.272 1.00 0.00 H new ATOM 1054 N TYR A 69 3.951 2.749 -5.598 1.00 0.00 N ATOM 1055 CA TYR A 69 5.338 3.150 -5.487 1.00 0.00 C ATOM 1056 C TYR A 69 6.250 1.943 -5.630 1.00 0.00 C ATOM 1057 O TYR A 69 6.249 1.041 -4.790 1.00 0.00 O ATOM 1058 CB TYR A 69 5.573 3.857 -4.157 1.00 0.00 C ATOM 1059 CG TYR A 69 4.709 5.086 -3.984 1.00 0.00 C ATOM 1060 CD1 TYR A 69 4.788 6.143 -4.882 1.00 0.00 C ATOM 1061 CD2 TYR A 69 3.811 5.188 -2.929 1.00 0.00 C ATOM 1062 CE1 TYR A 69 3.999 7.267 -4.733 1.00 0.00 C ATOM 1063 CE2 TYR A 69 3.017 6.309 -2.773 1.00 0.00 C ATOM 1064 CZ TYR A 69 3.115 7.345 -3.678 1.00 0.00 C ATOM 1065 OH TYR A 69 2.327 8.462 -3.526 1.00 0.00 O ATOM 0 H TYR A 69 3.691 1.955 -5.013 1.00 0.00 H new ATOM 0 HA TYR A 69 5.571 3.847 -6.292 1.00 0.00 H new ATOM 0 HB2 TYR A 69 5.375 3.162 -3.341 1.00 0.00 H new ATOM 0 HB3 TYR A 69 6.622 4.143 -4.084 1.00 0.00 H new ATOM 0 HD1 TYR A 69 5.478 6.085 -5.711 1.00 0.00 H new ATOM 0 HD2 TYR A 69 3.732 4.378 -2.219 1.00 0.00 H new ATOM 0 HE1 TYR A 69 4.074 8.081 -5.439 1.00 0.00 H new ATOM 0 HE2 TYR A 69 2.324 6.373 -1.947 1.00 0.00 H new ATOM 0 HH TYR A 69 1.394 8.233 -3.721 1.00 0.00 H new ATOM 1075 N ALA A 70 7.011 1.925 -6.715 1.00 0.00 N ATOM 1076 CA ALA A 70 7.915 0.818 -6.988 1.00 0.00 C ATOM 1077 C ALA A 70 9.280 1.040 -6.345 1.00 0.00 C ATOM 1078 O ALA A 70 9.727 2.174 -6.175 1.00 0.00 O ATOM 1079 CB ALA A 70 8.059 0.620 -8.488 1.00 0.00 C ATOM 0 H ALA A 70 7.020 2.663 -7.419 1.00 0.00 H new ATOM 0 HA ALA A 70 7.487 -0.083 -6.549 1.00 0.00 H new ATOM 0 HB1 ALA A 70 8.738 -0.211 -8.682 1.00 0.00 H new ATOM 0 HB2 ALA A 70 7.083 0.400 -8.921 1.00 0.00 H new ATOM 0 HB3 ALA A 70 8.460 1.528 -8.938 1.00 0.00 H new ATOM 1085 N ARG A 71 9.927 -0.062 -5.977 1.00 0.00 N ATOM 1086 CA ARG A 71 11.232 -0.022 -5.335 1.00 0.00 C ATOM 1087 C ARG A 71 12.347 0.295 -6.317 1.00 0.00 C ATOM 1088 O ARG A 71 12.119 0.491 -7.510 1.00 0.00 O ATOM 1089 CB ARG A 71 11.529 -1.378 -4.695 1.00 0.00 C ATOM 1090 CG ARG A 71 11.377 -2.562 -5.653 1.00 0.00 C ATOM 1091 CD ARG A 71 12.027 -2.313 -7.011 1.00 0.00 C ATOM 1092 NE ARG A 71 12.166 -3.533 -7.805 1.00 0.00 N ATOM 1093 CZ ARG A 71 11.139 -4.223 -8.296 1.00 0.00 C ATOM 1094 NH1 ARG A 71 9.897 -3.832 -8.055 1.00 0.00 N ATOM 1095 NH2 ARG A 71 11.356 -5.303 -9.034 1.00 0.00 N ATOM 0 H ARG A 71 9.561 -1.004 -6.116 1.00 0.00 H new ATOM 0 HA ARG A 71 11.197 0.769 -4.586 1.00 0.00 H new ATOM 0 HB2 ARG A 71 12.546 -1.369 -4.303 1.00 0.00 H new ATOM 0 HB3 ARG A 71 10.861 -1.522 -3.846 1.00 0.00 H new ATOM 0 HG2 ARG A 71 11.821 -3.449 -5.200 1.00 0.00 H new ATOM 0 HG3 ARG A 71 10.317 -2.774 -5.796 1.00 0.00 H new ATOM 0 HD2 ARG A 71 11.431 -1.589 -7.567 1.00 0.00 H new ATOM 0 HD3 ARG A 71 13.011 -1.868 -6.862 1.00 0.00 H new ATOM 0 HE ARG A 71 13.108 -3.876 -7.994 1.00 0.00 H new ATOM 0 HH11 ARG A 71 9.725 -2.999 -7.491 1.00 0.00 H new ATOM 0 HH12 ARG A 71 9.113 -4.363 -8.433 1.00 0.00 H new ATOM 0 HH21 ARG A 71 12.311 -5.606 -9.226 1.00 0.00 H new ATOM 0 HH22 ARG A 71 10.568 -5.831 -9.410 1.00 0.00 H new ATOM 1109 N SER A 72 13.564 0.278 -5.794 1.00 0.00 N ATOM 1110 CA SER A 72 14.754 0.492 -6.592 1.00 0.00 C ATOM 1111 C SER A 72 15.605 -0.782 -6.579 1.00 0.00 C ATOM 1112 O SER A 72 16.680 -0.829 -7.178 1.00 0.00 O ATOM 1113 CB SER A 72 15.561 1.674 -6.050 1.00 0.00 C ATOM 1114 OG SER A 72 14.758 2.507 -5.232 1.00 0.00 O ATOM 0 H SER A 72 13.750 0.115 -4.804 1.00 0.00 H new ATOM 0 HA SER A 72 14.461 0.724 -7.616 1.00 0.00 H new ATOM 0 HB2 SER A 72 16.411 1.305 -5.476 1.00 0.00 H new ATOM 0 HB3 SER A 72 15.965 2.254 -6.880 1.00 0.00 H new ATOM 0 HG SER A 72 15.297 3.254 -4.897 1.00 0.00 H new ATOM 1120 N GLU A 73 15.117 -1.814 -5.871 1.00 0.00 N ATOM 1121 CA GLU A 73 15.833 -3.081 -5.759 1.00 0.00 C ATOM 1122 C GLU A 73 15.097 -4.241 -6.444 1.00 0.00 C ATOM 1123 O GLU A 73 15.568 -4.754 -7.459 1.00 0.00 O ATOM 1124 CB GLU A 73 16.073 -3.417 -4.288 1.00 0.00 C ATOM 1125 CG GLU A 73 17.393 -2.888 -3.751 1.00 0.00 C ATOM 1126 CD GLU A 73 17.322 -1.423 -3.368 1.00 0.00 C ATOM 1127 OE1 GLU A 73 16.326 -1.025 -2.727 1.00 0.00 O ATOM 1128 OE2 GLU A 73 18.262 -0.674 -3.708 1.00 0.00 O ATOM 0 H GLU A 73 14.229 -1.789 -5.370 1.00 0.00 H new ATOM 0 HA GLU A 73 16.785 -2.955 -6.274 1.00 0.00 H new ATOM 0 HB2 GLU A 73 15.257 -3.007 -3.692 1.00 0.00 H new ATOM 0 HB3 GLU A 73 16.047 -4.499 -4.162 1.00 0.00 H new ATOM 0 HG2 GLU A 73 17.687 -3.473 -2.880 1.00 0.00 H new ATOM 0 HG3 GLU A 73 18.169 -3.025 -4.504 1.00 0.00 H new ATOM 1135 N GLY A 74 13.959 -4.681 -5.883 1.00 0.00 N ATOM 1136 CA GLY A 74 13.249 -5.805 -6.488 1.00 0.00 C ATOM 1137 C GLY A 74 11.803 -6.004 -6.036 1.00 0.00 C ATOM 1138 O GLY A 74 11.025 -6.627 -6.759 1.00 0.00 O ATOM 0 H GLY A 74 13.529 -4.290 -5.045 1.00 0.00 H new ATOM 0 HA2 GLY A 74 13.256 -5.674 -7.570 1.00 0.00 H new ATOM 0 HA3 GLY A 74 13.805 -6.718 -6.274 1.00 0.00 H new ATOM 1142 N ILE A 75 11.421 -5.500 -4.860 1.00 0.00 N ATOM 1143 CA ILE A 75 10.044 -5.678 -4.387 1.00 0.00 C ATOM 1144 C ILE A 75 9.294 -4.346 -4.357 1.00 0.00 C ATOM 1145 O ILE A 75 9.734 -3.382 -3.735 1.00 0.00 O ATOM 1146 CB ILE A 75 9.971 -6.412 -3.007 1.00 0.00 C ATOM 1147 CG1 ILE A 75 9.556 -5.488 -1.855 1.00 0.00 C ATOM 1148 CG2 ILE A 75 11.289 -7.092 -2.670 1.00 0.00 C ATOM 1149 CD1 ILE A 75 10.618 -4.491 -1.440 1.00 0.00 C ATOM 0 H ILE A 75 12.029 -4.977 -4.230 1.00 0.00 H new ATOM 0 HA ILE A 75 9.545 -6.328 -5.106 1.00 0.00 H new ATOM 0 HB ILE A 75 9.193 -7.168 -3.117 1.00 0.00 H new ATOM 0 HG12 ILE A 75 8.658 -4.944 -2.147 1.00 0.00 H new ATOM 0 HG13 ILE A 75 9.292 -6.099 -0.992 1.00 0.00 H new ATOM 0 HG21 ILE A 75 11.204 -7.592 -1.705 1.00 0.00 H new ATOM 0 HG22 ILE A 75 11.527 -7.826 -3.440 1.00 0.00 H new ATOM 0 HG23 ILE A 75 12.082 -6.346 -2.623 1.00 0.00 H new ATOM 0 HD11 ILE A 75 10.242 -3.878 -0.621 1.00 0.00 H new ATOM 0 HD12 ILE A 75 11.511 -5.025 -1.114 1.00 0.00 H new ATOM 0 HD13 ILE A 75 10.867 -3.851 -2.287 1.00 0.00 H new ATOM 1161 N CYS A 76 8.167 -4.305 -5.066 1.00 0.00 N ATOM 1162 CA CYS A 76 7.354 -3.095 -5.169 1.00 0.00 C ATOM 1163 C CYS A 76 6.424 -2.928 -3.975 1.00 0.00 C ATOM 1164 O CYS A 76 6.336 -3.799 -3.112 1.00 0.00 O ATOM 1165 CB CYS A 76 6.510 -3.149 -6.447 1.00 0.00 C ATOM 1166 SG CYS A 76 7.273 -2.371 -7.887 1.00 0.00 S ATOM 0 H CYS A 76 7.794 -5.103 -5.581 1.00 0.00 H new ATOM 0 HA CYS A 76 8.036 -2.245 -5.192 1.00 0.00 H new ATOM 0 HB2 CYS A 76 6.299 -4.192 -6.683 1.00 0.00 H new ATOM 0 HB3 CYS A 76 5.552 -2.666 -6.255 1.00 0.00 H new ATOM 0 HG CYS A 76 6.477 -2.476 -8.910 1.00 0.00 H new ATOM 1172 N GLY A 77 5.722 -1.797 -3.956 1.00 0.00 N ATOM 1173 CA GLY A 77 4.779 -1.501 -2.893 1.00 0.00 C ATOM 1174 C GLY A 77 3.619 -0.682 -3.403 1.00 0.00 C ATOM 1175 O GLY A 77 3.792 0.134 -4.308 1.00 0.00 O ATOM 0 H GLY A 77 5.793 -1.072 -4.670 1.00 0.00 H new ATOM 0 HA2 GLY A 77 4.409 -2.431 -2.463 1.00 0.00 H new ATOM 0 HA3 GLY A 77 5.286 -0.960 -2.094 1.00 0.00 H new ATOM 1179 N VAL A 78 2.425 -0.898 -2.853 1.00 0.00 N ATOM 1180 CA VAL A 78 1.266 -0.156 -3.320 1.00 0.00 C ATOM 1181 C VAL A 78 0.544 0.594 -2.201 1.00 0.00 C ATOM 1182 O VAL A 78 0.579 0.204 -1.028 1.00 0.00 O ATOM 1183 CB VAL A 78 0.269 -1.077 -4.067 1.00 0.00 C ATOM 1184 CG1 VAL A 78 -1.145 -0.504 -4.070 1.00 0.00 C ATOM 1185 CG2 VAL A 78 0.750 -1.337 -5.487 1.00 0.00 C ATOM 0 H VAL A 78 2.241 -1.564 -2.103 1.00 0.00 H new ATOM 0 HA VAL A 78 1.653 0.590 -4.014 1.00 0.00 H new ATOM 0 HB VAL A 78 0.230 -2.025 -3.530 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -1.811 -1.182 -4.604 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -1.493 -0.388 -3.043 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -1.143 0.467 -4.565 1.00 0.00 H new ATOM 0 HG21 VAL A 78 0.039 -1.986 -5.999 1.00 0.00 H new ATOM 0 HG22 VAL A 78 0.830 -0.391 -6.023 1.00 0.00 H new ATOM 0 HG23 VAL A 78 1.726 -1.821 -5.458 1.00 0.00 H new ATOM 1195 N LEU A 79 -0.124 1.675 -2.600 1.00 0.00 N ATOM 1196 CA LEU A 79 -0.885 2.514 -1.681 1.00 0.00 C ATOM 1197 C LEU A 79 -2.253 2.839 -2.285 1.00 0.00 C ATOM 1198 O LEU A 79 -2.385 2.933 -3.501 1.00 0.00 O ATOM 1199 CB LEU A 79 -0.113 3.810 -1.410 1.00 0.00 C ATOM 1200 CG LEU A 79 0.180 4.107 0.061 1.00 0.00 C ATOM 1201 CD1 LEU A 79 1.633 4.517 0.243 1.00 0.00 C ATOM 1202 CD2 LEU A 79 -0.751 5.195 0.573 1.00 0.00 C ATOM 0 H LEU A 79 -0.152 1.992 -3.569 1.00 0.00 H new ATOM 0 HA LEU A 79 -1.031 1.980 -0.742 1.00 0.00 H new ATOM 0 HB2 LEU A 79 0.833 3.768 -1.949 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -0.680 4.643 -1.825 1.00 0.00 H new ATOM 0 HG LEU A 79 0.006 3.200 0.641 1.00 0.00 H new ATOM 0 HD11 LEU A 79 1.823 4.725 1.296 1.00 0.00 H new ATOM 0 HD12 LEU A 79 2.284 3.709 -0.091 1.00 0.00 H new ATOM 0 HD13 LEU A 79 1.835 5.412 -0.345 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -0.532 5.397 1.622 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -0.604 6.104 -0.010 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -1.785 4.865 0.475 1.00 0.00 H new ATOM 1214 N ILE A 80 -3.269 3.021 -1.447 1.00 0.00 N ATOM 1215 CA ILE A 80 -4.603 3.349 -1.953 1.00 0.00 C ATOM 1216 C ILE A 80 -5.358 4.243 -0.980 1.00 0.00 C ATOM 1217 O ILE A 80 -5.657 3.843 0.144 1.00 0.00 O ATOM 1218 CB ILE A 80 -5.453 2.088 -2.246 1.00 0.00 C ATOM 1219 CG1 ILE A 80 -4.551 0.876 -2.480 1.00 0.00 C ATOM 1220 CG2 ILE A 80 -6.363 2.325 -3.442 1.00 0.00 C ATOM 1221 CD1 ILE A 80 -5.288 -0.358 -2.962 1.00 0.00 C ATOM 0 H ILE A 80 -3.200 2.949 -0.432 1.00 0.00 H new ATOM 0 HA ILE A 80 -4.445 3.881 -2.891 1.00 0.00 H new ATOM 0 HB ILE A 80 -6.079 1.883 -1.378 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -3.788 1.140 -3.212 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -4.033 0.637 -1.551 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -6.953 1.429 -3.634 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -7.030 3.161 -3.231 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -5.758 2.556 -4.319 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -4.579 -1.173 -3.104 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -6.032 -0.650 -2.221 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -5.784 -0.139 -3.908 1.00 0.00 H new ATOM 1233 N THR A 81 -5.664 5.457 -1.429 1.00 0.00 N ATOM 1234 CA THR A 81 -6.385 6.426 -0.612 1.00 0.00 C ATOM 1235 C THR A 81 -7.388 7.209 -1.458 1.00 0.00 C ATOM 1236 O THR A 81 -7.595 6.900 -2.628 1.00 0.00 O ATOM 1237 CB THR A 81 -5.408 7.378 0.087 1.00 0.00 C ATOM 1238 OG1 THR A 81 -6.070 8.549 0.528 1.00 0.00 O ATOM 1239 CG2 THR A 81 -4.252 7.808 -0.785 1.00 0.00 C ATOM 0 H THR A 81 -5.422 5.794 -2.361 1.00 0.00 H new ATOM 0 HA THR A 81 -6.938 5.881 0.153 1.00 0.00 H new ATOM 0 HB THR A 81 -5.013 6.807 0.927 1.00 0.00 H new ATOM 0 HG1 THR A 81 -5.504 9.022 1.173 1.00 0.00 H new ATOM 0 HG21 THR A 81 -3.603 8.480 -0.224 1.00 0.00 H new ATOM 0 HG22 THR A 81 -3.684 6.931 -1.095 1.00 0.00 H new ATOM 0 HG23 THR A 81 -4.633 8.324 -1.666 1.00 0.00 H new ATOM 1247 N ASP A 82 -8.014 8.215 -0.856 1.00 0.00 N ATOM 1248 CA ASP A 82 -9.002 9.028 -1.550 1.00 0.00 C ATOM 1249 C ASP A 82 -8.332 10.091 -2.413 1.00 0.00 C ATOM 1250 O ASP A 82 -7.186 10.470 -2.170 1.00 0.00 O ATOM 1251 CB ASP A 82 -9.937 9.686 -0.535 1.00 0.00 C ATOM 1252 CG ASP A 82 -11.198 10.229 -1.178 1.00 0.00 C ATOM 1253 OD1 ASP A 82 -11.137 11.325 -1.774 1.00 0.00 O ATOM 1254 OD2 ASP A 82 -12.248 9.557 -1.085 1.00 0.00 O ATOM 0 H ASP A 82 -7.853 8.486 0.114 1.00 0.00 H new ATOM 0 HA ASP A 82 -9.581 8.378 -2.206 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -10.207 8.959 0.231 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -9.410 10.497 -0.033 1.00 0.00 H new ATOM 1259 N LYS A 83 -9.056 10.572 -3.421 1.00 0.00 N ATOM 1260 CA LYS A 83 -8.533 11.595 -4.319 1.00 0.00 C ATOM 1261 C LYS A 83 -8.030 12.802 -3.530 1.00 0.00 C ATOM 1262 O LYS A 83 -7.136 13.520 -3.977 1.00 0.00 O ATOM 1263 CB LYS A 83 -9.611 12.031 -5.315 1.00 0.00 C ATOM 1264 CG LYS A 83 -9.400 11.478 -6.716 1.00 0.00 C ATOM 1265 CD LYS A 83 -10.650 10.789 -7.243 1.00 0.00 C ATOM 1266 CE LYS A 83 -11.417 11.685 -8.202 1.00 0.00 C ATOM 1267 NZ LYS A 83 -10.807 11.695 -9.560 1.00 0.00 N ATOM 0 H LYS A 83 -10.006 10.269 -3.635 1.00 0.00 H new ATOM 0 HA LYS A 83 -7.695 11.168 -4.870 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -10.585 11.708 -4.948 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -9.633 13.120 -5.362 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -9.120 12.289 -7.389 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -8.571 10.771 -6.707 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -10.371 9.865 -7.750 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -11.294 10.512 -6.408 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -12.450 11.344 -8.270 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -11.443 12.701 -7.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -11.359 12.317 -10.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -9.830 12.045 -9.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -10.806 10.730 -9.947 1.00 0.00 H new ATOM 1281 N GLN A 84 -8.604 13.011 -2.347 1.00 0.00 N ATOM 1282 CA GLN A 84 -8.208 14.120 -1.488 1.00 0.00 C ATOM 1283 C GLN A 84 -7.096 13.685 -0.537 1.00 0.00 C ATOM 1284 O GLN A 84 -7.130 13.977 0.659 1.00 0.00 O ATOM 1285 CB GLN A 84 -9.410 14.635 -0.694 1.00 0.00 C ATOM 1286 CG GLN A 84 -10.500 15.239 -1.564 1.00 0.00 C ATOM 1287 CD GLN A 84 -10.307 16.725 -1.795 1.00 0.00 C ATOM 1288 OE1 GLN A 84 -9.367 17.328 -1.277 1.00 0.00 O ATOM 1289 NE2 GLN A 84 -11.200 17.323 -2.575 1.00 0.00 N ATOM 0 H GLN A 84 -9.345 12.425 -1.963 1.00 0.00 H new ATOM 0 HA GLN A 84 -7.834 14.927 -2.117 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -9.832 13.813 -0.116 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -9.069 15.385 0.020 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -10.519 14.725 -2.525 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -11.469 15.071 -1.094 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -11.963 16.783 -2.983 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -11.123 18.322 -2.766 1.00 0.00 H new ATOM 1298 N TYR A 85 -6.114 12.983 -1.088 1.00 0.00 N ATOM 1299 CA TYR A 85 -4.983 12.492 -0.329 1.00 0.00 C ATOM 1300 C TYR A 85 -3.704 12.772 -1.106 1.00 0.00 C ATOM 1301 O TYR A 85 -3.215 11.921 -1.848 1.00 0.00 O ATOM 1302 CB TYR A 85 -5.143 10.994 -0.084 1.00 0.00 C ATOM 1303 CG TYR A 85 -4.109 10.392 0.841 1.00 0.00 C ATOM 1304 CD1 TYR A 85 -2.812 10.147 0.406 1.00 0.00 C ATOM 1305 CD2 TYR A 85 -4.436 10.049 2.147 1.00 0.00 C ATOM 1306 CE1 TYR A 85 -1.873 9.583 1.244 1.00 0.00 C ATOM 1307 CE2 TYR A 85 -3.502 9.482 2.989 1.00 0.00 C ATOM 1308 CZ TYR A 85 -2.221 9.252 2.533 1.00 0.00 C ATOM 1309 OH TYR A 85 -1.287 8.686 3.368 1.00 0.00 O ATOM 0 H TYR A 85 -6.084 12.740 -2.078 1.00 0.00 H new ATOM 0 HA TYR A 85 -4.932 12.998 0.635 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -6.134 10.811 0.332 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -5.099 10.476 -1.042 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -2.535 10.403 -0.606 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -5.438 10.229 2.509 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -0.869 9.402 0.890 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -3.773 9.219 4.001 1.00 0.00 H new ATOM 0 HH TYR A 85 -0.579 9.337 3.556 1.00 0.00 H new ATOM 1319 N PRO A 86 -3.162 13.991 -0.961 1.00 0.00 N ATOM 1320 CA PRO A 86 -1.951 14.419 -1.655 1.00 0.00 C ATOM 1321 C PRO A 86 -0.930 13.299 -1.848 1.00 0.00 C ATOM 1322 O PRO A 86 -0.787 12.417 -1.002 1.00 0.00 O ATOM 1323 CB PRO A 86 -1.415 15.486 -0.716 1.00 0.00 C ATOM 1324 CG PRO A 86 -2.635 16.134 -0.153 1.00 0.00 C ATOM 1325 CD PRO A 86 -3.706 15.071 -0.114 1.00 0.00 C ATOM 0 HA PRO A 86 -2.152 14.759 -2.671 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -0.798 15.050 0.070 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -0.792 16.206 -1.247 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -2.441 16.525 0.846 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -2.947 16.976 -0.770 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -3.891 14.727 0.904 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -4.654 15.444 -0.501 1.00 0.00 H new ATOM 1333 N VAL A 87 -0.235 13.343 -2.980 1.00 0.00 N ATOM 1334 CA VAL A 87 0.772 12.340 -3.315 1.00 0.00 C ATOM 1335 C VAL A 87 2.085 12.580 -2.576 1.00 0.00 C ATOM 1336 O VAL A 87 2.857 11.650 -2.347 1.00 0.00 O ATOM 1337 CB VAL A 87 1.063 12.329 -4.828 1.00 0.00 C ATOM 1338 CG1 VAL A 87 1.910 11.123 -5.203 1.00 0.00 C ATOM 1339 CG2 VAL A 87 -0.232 12.354 -5.625 1.00 0.00 C ATOM 0 H VAL A 87 -0.352 14.069 -3.687 1.00 0.00 H new ATOM 0 HA VAL A 87 0.359 11.379 -3.007 1.00 0.00 H new ATOM 0 HB VAL A 87 1.628 13.228 -5.075 1.00 0.00 H new ATOM 0 HG11 VAL A 87 2.104 11.134 -6.276 1.00 0.00 H new ATOM 0 HG12 VAL A 87 2.856 11.161 -4.663 1.00 0.00 H new ATOM 0 HG13 VAL A 87 1.378 10.209 -4.940 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -0.004 12.346 -6.691 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -0.830 11.477 -5.375 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -0.792 13.257 -5.381 1.00 0.00 H new ATOM 1349 N ARG A 88 2.346 13.835 -2.228 1.00 0.00 N ATOM 1350 CA ARG A 88 3.587 14.197 -1.541 1.00 0.00 C ATOM 1351 C ARG A 88 3.817 13.328 -0.307 1.00 0.00 C ATOM 1352 O ARG A 88 4.865 12.693 -0.182 1.00 0.00 O ATOM 1353 CB ARG A 88 3.596 15.681 -1.161 1.00 0.00 C ATOM 1354 CG ARG A 88 2.894 16.572 -2.173 1.00 0.00 C ATOM 1355 CD ARG A 88 3.772 17.732 -2.607 1.00 0.00 C ATOM 1356 NE ARG A 88 4.146 18.586 -1.482 1.00 0.00 N ATOM 1357 CZ ARG A 88 4.572 19.841 -1.611 1.00 0.00 C ATOM 1358 NH1 ARG A 88 4.682 20.392 -2.814 1.00 0.00 N ATOM 1359 NH2 ARG A 88 4.889 20.547 -0.535 1.00 0.00 N ATOM 0 H ARG A 88 1.719 14.619 -2.408 1.00 0.00 H new ATOM 0 HA ARG A 88 4.406 14.017 -2.237 1.00 0.00 H new ATOM 0 HB2 ARG A 88 3.117 15.802 -0.189 1.00 0.00 H new ATOM 0 HB3 ARG A 88 4.628 16.013 -1.051 1.00 0.00 H new ATOM 0 HG2 ARG A 88 2.615 15.981 -3.045 1.00 0.00 H new ATOM 0 HG3 ARG A 88 1.971 16.957 -1.740 1.00 0.00 H new ATOM 0 HD2 ARG A 88 4.673 17.346 -3.084 1.00 0.00 H new ATOM 0 HD3 ARG A 88 3.245 18.326 -3.354 1.00 0.00 H new ATOM 0 HE ARG A 88 4.077 18.198 -0.541 1.00 0.00 H new ATOM 0 HH11 ARG A 88 4.440 19.854 -3.646 1.00 0.00 H new ATOM 0 HH12 ARG A 88 5.009 21.354 -2.906 1.00 0.00 H new ATOM 0 HH21 ARG A 88 4.807 20.129 0.392 1.00 0.00 H new ATOM 0 HH22 ARG A 88 5.215 21.508 -0.634 1.00 0.00 H new ATOM 1373 N PRO A 89 2.845 13.265 0.619 1.00 0.00 N ATOM 1374 CA PRO A 89 2.978 12.445 1.820 1.00 0.00 C ATOM 1375 C PRO A 89 2.946 10.969 1.469 1.00 0.00 C ATOM 1376 O PRO A 89 3.609 10.152 2.107 1.00 0.00 O ATOM 1377 CB PRO A 89 1.772 12.836 2.686 1.00 0.00 C ATOM 1378 CG PRO A 89 1.176 14.040 2.029 1.00 0.00 C ATOM 1379 CD PRO A 89 1.549 13.954 0.576 1.00 0.00 C ATOM 0 HA PRO A 89 3.924 12.610 2.336 1.00 0.00 H new ATOM 0 HB2 PRO A 89 1.049 12.022 2.741 1.00 0.00 H new ATOM 0 HB3 PRO A 89 2.079 13.059 3.708 1.00 0.00 H new ATOM 0 HG2 PRO A 89 0.093 14.055 2.152 1.00 0.00 H new ATOM 0 HG3 PRO A 89 1.560 14.957 2.476 1.00 0.00 H new ATOM 0 HD2 PRO A 89 0.811 13.395 0.000 1.00 0.00 H new ATOM 0 HD3 PRO A 89 1.629 14.940 0.119 1.00 0.00 H new ATOM 1387 N ALA A 90 2.213 10.636 0.414 1.00 0.00 N ATOM 1388 CA ALA A 90 2.160 9.264 -0.047 1.00 0.00 C ATOM 1389 C ALA A 90 3.545 8.880 -0.534 1.00 0.00 C ATOM 1390 O ALA A 90 3.939 7.714 -0.491 1.00 0.00 O ATOM 1391 CB ALA A 90 1.126 9.101 -1.152 1.00 0.00 C ATOM 0 H ALA A 90 1.654 11.293 -0.130 1.00 0.00 H new ATOM 0 HA ALA A 90 1.858 8.607 0.768 1.00 0.00 H new ATOM 0 HB1 ALA A 90 1.106 8.062 -1.481 1.00 0.00 H new ATOM 0 HB2 ALA A 90 0.143 9.381 -0.774 1.00 0.00 H new ATOM 0 HB3 ALA A 90 1.388 9.743 -1.993 1.00 0.00 H new ATOM 1397 N TYR A 91 4.294 9.896 -0.968 1.00 0.00 N ATOM 1398 CA TYR A 91 5.652 9.698 -1.430 1.00 0.00 C ATOM 1399 C TYR A 91 6.547 9.377 -0.242 1.00 0.00 C ATOM 1400 O TYR A 91 7.300 8.401 -0.264 1.00 0.00 O ATOM 1401 CB TYR A 91 6.161 10.946 -2.154 1.00 0.00 C ATOM 1402 CG TYR A 91 7.361 10.688 -3.038 1.00 0.00 C ATOM 1403 CD1 TYR A 91 8.559 10.235 -2.500 1.00 0.00 C ATOM 1404 CD2 TYR A 91 7.295 10.897 -4.410 1.00 0.00 C ATOM 1405 CE1 TYR A 91 9.658 9.998 -3.305 1.00 0.00 C ATOM 1406 CE2 TYR A 91 8.389 10.662 -5.221 1.00 0.00 C ATOM 1407 CZ TYR A 91 9.567 10.213 -4.664 1.00 0.00 C ATOM 1408 OH TYR A 91 10.659 9.977 -5.468 1.00 0.00 O ATOM 0 H TYR A 91 3.974 10.864 -1.006 1.00 0.00 H new ATOM 0 HA TYR A 91 5.671 8.866 -2.133 1.00 0.00 H new ATOM 0 HB2 TYR A 91 5.355 11.357 -2.761 1.00 0.00 H new ATOM 0 HB3 TYR A 91 6.421 11.704 -1.415 1.00 0.00 H new ATOM 0 HD1 TYR A 91 8.633 10.065 -1.436 1.00 0.00 H new ATOM 0 HD2 TYR A 91 6.374 11.249 -4.850 1.00 0.00 H new ATOM 0 HE1 TYR A 91 10.583 9.646 -2.872 1.00 0.00 H new ATOM 0 HE2 TYR A 91 8.321 10.829 -6.286 1.00 0.00 H new ATOM 0 HH TYR A 91 10.429 10.176 -6.399 1.00 0.00 H new ATOM 1418 N THR A 92 6.448 10.187 0.815 1.00 0.00 N ATOM 1419 CA THR A 92 7.247 9.941 2.004 1.00 0.00 C ATOM 1420 C THR A 92 6.851 8.615 2.618 1.00 0.00 C ATOM 1421 O THR A 92 7.687 7.893 3.161 1.00 0.00 O ATOM 1422 CB THR A 92 7.106 11.059 3.025 1.00 0.00 C ATOM 1423 OG1 THR A 92 7.793 10.738 4.221 1.00 0.00 O ATOM 1424 CG2 THR A 92 5.678 11.368 3.386 1.00 0.00 C ATOM 0 H THR A 92 5.835 11.000 0.867 1.00 0.00 H new ATOM 0 HA THR A 92 8.294 9.908 1.704 1.00 0.00 H new ATOM 0 HB THR A 92 7.537 11.938 2.545 1.00 0.00 H new ATOM 0 HG1 THR A 92 7.691 11.471 4.864 1.00 0.00 H new ATOM 0 HG21 THR A 92 5.654 12.175 4.118 1.00 0.00 H new ATOM 0 HG22 THR A 92 5.135 11.674 2.492 1.00 0.00 H new ATOM 0 HG23 THR A 92 5.209 10.480 3.810 1.00 0.00 H new ATOM 1432 N LEU A 93 5.570 8.277 2.495 1.00 0.00 N ATOM 1433 CA LEU A 93 5.084 7.012 3.007 1.00 0.00 C ATOM 1434 C LEU A 93 5.730 5.894 2.219 1.00 0.00 C ATOM 1435 O LEU A 93 6.113 4.863 2.770 1.00 0.00 O ATOM 1436 CB LEU A 93 3.559 6.924 2.915 1.00 0.00 C ATOM 1437 CG LEU A 93 2.922 5.828 3.773 1.00 0.00 C ATOM 1438 CD1 LEU A 93 1.406 5.943 3.747 1.00 0.00 C ATOM 1439 CD2 LEU A 93 3.361 4.452 3.294 1.00 0.00 C ATOM 0 H LEU A 93 4.861 8.859 2.049 1.00 0.00 H new ATOM 0 HA LEU A 93 5.348 6.926 4.061 1.00 0.00 H new ATOM 0 HB2 LEU A 93 3.136 7.885 3.207 1.00 0.00 H new ATOM 0 HB3 LEU A 93 3.282 6.757 1.874 1.00 0.00 H new ATOM 0 HG LEU A 93 3.259 5.958 4.801 1.00 0.00 H new ATOM 0 HD11 LEU A 93 0.971 5.156 4.362 1.00 0.00 H new ATOM 0 HD12 LEU A 93 1.108 6.916 4.138 1.00 0.00 H new ATOM 0 HD13 LEU A 93 1.051 5.840 2.722 1.00 0.00 H new ATOM 0 HD21 LEU A 93 2.898 3.686 3.916 1.00 0.00 H new ATOM 0 HD22 LEU A 93 3.054 4.313 2.257 1.00 0.00 H new ATOM 0 HD23 LEU A 93 4.446 4.371 3.365 1.00 0.00 H new ATOM 1451 N LEU A 94 5.888 6.131 0.924 1.00 0.00 N ATOM 1452 CA LEU A 94 6.535 5.171 0.059 1.00 0.00 C ATOM 1453 C LEU A 94 8.017 5.096 0.412 1.00 0.00 C ATOM 1454 O LEU A 94 8.695 4.118 0.094 1.00 0.00 O ATOM 1455 CB LEU A 94 6.348 5.560 -1.414 1.00 0.00 C ATOM 1456 CG LEU A 94 7.586 6.125 -2.123 1.00 0.00 C ATOM 1457 CD1 LEU A 94 8.496 4.997 -2.587 1.00 0.00 C ATOM 1458 CD2 LEU A 94 7.174 6.998 -3.299 1.00 0.00 C ATOM 0 H LEU A 94 5.575 6.981 0.455 1.00 0.00 H new ATOM 0 HA LEU A 94 6.081 4.191 0.205 1.00 0.00 H new ATOM 0 HB2 LEU A 94 6.010 4.680 -1.961 1.00 0.00 H new ATOM 0 HB3 LEU A 94 5.550 6.299 -1.475 1.00 0.00 H new ATOM 0 HG LEU A 94 8.138 6.742 -1.414 1.00 0.00 H new ATOM 0 HD11 LEU A 94 9.369 5.416 -3.088 1.00 0.00 H new ATOM 0 HD12 LEU A 94 8.818 4.412 -1.726 1.00 0.00 H new ATOM 0 HD13 LEU A 94 7.954 4.354 -3.280 1.00 0.00 H new ATOM 0 HD21 LEU A 94 8.064 7.390 -3.790 1.00 0.00 H new ATOM 0 HD22 LEU A 94 6.600 6.404 -4.010 1.00 0.00 H new ATOM 0 HD23 LEU A 94 6.563 7.826 -2.941 1.00 0.00 H new ATOM 1470 N ASN A 95 8.510 6.140 1.083 1.00 0.00 N ATOM 1471 CA ASN A 95 9.911 6.192 1.478 1.00 0.00 C ATOM 1472 C ASN A 95 10.172 5.293 2.679 1.00 0.00 C ATOM 1473 O ASN A 95 10.954 4.346 2.602 1.00 0.00 O ATOM 1474 CB ASN A 95 10.315 7.631 1.801 1.00 0.00 C ATOM 1475 CG ASN A 95 11.297 8.198 0.795 1.00 0.00 C ATOM 1476 OD1 ASN A 95 12.311 7.576 0.481 1.00 0.00 O ATOM 1477 ND2 ASN A 95 10.999 9.388 0.284 1.00 0.00 N ATOM 0 H ASN A 95 7.960 6.953 1.360 1.00 0.00 H new ATOM 0 HA ASN A 95 10.513 5.832 0.644 1.00 0.00 H new ATOM 0 HB2 ASN A 95 9.424 8.258 1.827 1.00 0.00 H new ATOM 0 HB3 ASN A 95 10.758 7.666 2.796 1.00 0.00 H new ATOM 0 HD21 ASN A 95 11.622 9.821 -0.397 1.00 0.00 H new ATOM 0 HD22 ASN A 95 10.147 9.868 0.573 1.00 0.00 H new ATOM 1484 N LYS A 96 9.514 5.601 3.789 1.00 0.00 N ATOM 1485 CA LYS A 96 9.676 4.826 5.010 1.00 0.00 C ATOM 1486 C LYS A 96 9.220 3.383 4.812 1.00 0.00 C ATOM 1487 O LYS A 96 9.784 2.464 5.401 1.00 0.00 O ATOM 1488 CB LYS A 96 8.892 5.472 6.155 1.00 0.00 C ATOM 1489 CG LYS A 96 9.771 5.939 7.305 1.00 0.00 C ATOM 1490 CD LYS A 96 9.440 7.364 7.720 1.00 0.00 C ATOM 1491 CE LYS A 96 10.512 7.945 8.630 1.00 0.00 C ATOM 1492 NZ LYS A 96 11.327 8.980 7.937 1.00 0.00 N ATOM 0 H LYS A 96 8.863 6.382 3.868 1.00 0.00 H new ATOM 0 HA LYS A 96 10.736 4.816 5.264 1.00 0.00 H new ATOM 0 HB2 LYS A 96 8.333 6.323 5.767 1.00 0.00 H new ATOM 0 HB3 LYS A 96 8.162 4.757 6.534 1.00 0.00 H new ATOM 0 HG2 LYS A 96 9.641 5.272 8.157 1.00 0.00 H new ATOM 0 HG3 LYS A 96 10.819 5.879 7.010 1.00 0.00 H new ATOM 0 HD2 LYS A 96 9.338 7.988 6.832 1.00 0.00 H new ATOM 0 HD3 LYS A 96 8.478 7.380 8.233 1.00 0.00 H new ATOM 0 HE2 LYS A 96 10.042 8.383 9.511 1.00 0.00 H new ATOM 0 HE3 LYS A 96 11.164 7.145 8.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 12.046 9.351 8.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 11.796 8.557 7.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 10.710 9.756 7.625 1.00 0.00 H new ATOM 1506 N ILE A 97 8.189 3.191 3.993 1.00 0.00 N ATOM 1507 CA ILE A 97 7.654 1.866 3.738 1.00 0.00 C ATOM 1508 C ILE A 97 8.640 0.986 2.970 1.00 0.00 C ATOM 1509 O ILE A 97 9.038 -0.070 3.457 1.00 0.00 O ATOM 1510 CB ILE A 97 6.310 1.972 2.990 1.00 0.00 C ATOM 1511 CG1 ILE A 97 5.491 0.706 3.145 1.00 0.00 C ATOM 1512 CG2 ILE A 97 6.491 2.292 1.517 1.00 0.00 C ATOM 1513 CD1 ILE A 97 4.157 0.805 2.459 1.00 0.00 C ATOM 0 H ILE A 97 7.710 3.942 3.496 1.00 0.00 H new ATOM 0 HA ILE A 97 7.486 1.384 4.701 1.00 0.00 H new ATOM 0 HB ILE A 97 5.771 2.801 3.448 1.00 0.00 H new ATOM 0 HG12 ILE A 97 6.047 -0.137 2.735 1.00 0.00 H new ATOM 0 HG13 ILE A 97 5.338 0.501 4.205 1.00 0.00 H new ATOM 0 HG21 ILE A 97 5.515 2.356 1.036 1.00 0.00 H new ATOM 0 HG22 ILE A 97 7.010 3.245 1.413 1.00 0.00 H new ATOM 0 HG23 ILE A 97 7.078 1.505 1.043 1.00 0.00 H new ATOM 0 HD11 ILE A 97 3.607 -0.126 2.598 1.00 0.00 H new ATOM 0 HD12 ILE A 97 3.588 1.630 2.887 1.00 0.00 H new ATOM 0 HD13 ILE A 97 4.308 0.982 1.394 1.00 0.00 H new ATOM 1525 N LEU A 98 9.041 1.414 1.780 1.00 0.00 N ATOM 1526 CA LEU A 98 9.984 0.635 0.987 1.00 0.00 C ATOM 1527 C LEU A 98 11.284 0.443 1.759 1.00 0.00 C ATOM 1528 O LEU A 98 11.933 -0.600 1.657 1.00 0.00 O ATOM 1529 CB LEU A 98 10.245 1.311 -0.363 1.00 0.00 C ATOM 1530 CG LEU A 98 9.587 0.638 -1.579 1.00 0.00 C ATOM 1531 CD1 LEU A 98 8.281 -0.049 -1.195 1.00 0.00 C ATOM 1532 CD2 LEU A 98 9.341 1.660 -2.677 1.00 0.00 C ATOM 0 H LEU A 98 8.733 2.285 1.347 1.00 0.00 H new ATOM 0 HA LEU A 98 9.550 -0.345 0.791 1.00 0.00 H new ATOM 0 HB2 LEU A 98 9.895 2.342 -0.307 1.00 0.00 H new ATOM 0 HB3 LEU A 98 11.322 1.348 -0.529 1.00 0.00 H new ATOM 0 HG LEU A 98 10.271 -0.126 -1.950 1.00 0.00 H new ATOM 0 HD11 LEU A 98 7.842 -0.515 -2.077 1.00 0.00 H new ATOM 0 HD12 LEU A 98 8.479 -0.812 -0.442 1.00 0.00 H new ATOM 0 HD13 LEU A 98 7.587 0.688 -0.790 1.00 0.00 H new ATOM 0 HD21 LEU A 98 8.875 1.170 -3.532 1.00 0.00 H new ATOM 0 HD22 LEU A 98 8.682 2.444 -2.304 1.00 0.00 H new ATOM 0 HD23 LEU A 98 10.290 2.100 -2.984 1.00 0.00 H new ATOM 1544 N ASP A 99 11.639 1.443 2.558 1.00 0.00 N ATOM 1545 CA ASP A 99 12.839 1.375 3.379 1.00 0.00 C ATOM 1546 C ASP A 99 12.582 0.478 4.584 1.00 0.00 C ATOM 1547 O ASP A 99 13.488 -0.181 5.093 1.00 0.00 O ATOM 1548 CB ASP A 99 13.252 2.773 3.842 1.00 0.00 C ATOM 1549 CG ASP A 99 14.745 2.884 4.085 1.00 0.00 C ATOM 1550 OD1 ASP A 99 15.251 2.197 4.997 1.00 0.00 O ATOM 1551 OD2 ASP A 99 15.408 3.659 3.364 1.00 0.00 O ATOM 0 H ASP A 99 11.111 2.311 2.654 1.00 0.00 H new ATOM 0 HA ASP A 99 13.651 0.957 2.784 1.00 0.00 H new ATOM 0 HB2 ASP A 99 12.954 3.504 3.091 1.00 0.00 H new ATOM 0 HB3 ASP A 99 12.718 3.022 4.759 1.00 0.00 H new ATOM 1556 N GLU A 100 11.327 0.457 5.023 1.00 0.00 N ATOM 1557 CA GLU A 100 10.917 -0.356 6.158 1.00 0.00 C ATOM 1558 C GLU A 100 10.844 -1.826 5.761 1.00 0.00 C ATOM 1559 O GLU A 100 11.205 -2.708 6.541 1.00 0.00 O ATOM 1560 CB GLU A 100 9.561 0.128 6.679 1.00 0.00 C ATOM 1561 CG GLU A 100 8.903 -0.810 7.682 1.00 0.00 C ATOM 1562 CD GLU A 100 9.500 -0.694 9.071 1.00 0.00 C ATOM 1563 OE1 GLU A 100 10.466 0.079 9.242 1.00 0.00 O ATOM 1564 OE2 GLU A 100 9.000 -1.378 9.990 1.00 0.00 O ATOM 0 H GLU A 100 10.572 1.000 4.604 1.00 0.00 H new ATOM 0 HA GLU A 100 11.656 -0.254 6.952 1.00 0.00 H new ATOM 0 HB2 GLU A 100 9.692 1.105 7.145 1.00 0.00 H new ATOM 0 HB3 GLU A 100 8.888 0.266 5.833 1.00 0.00 H new ATOM 0 HG2 GLU A 100 7.836 -0.593 7.730 1.00 0.00 H new ATOM 0 HG3 GLU A 100 9.004 -1.838 7.332 1.00 0.00 H new ATOM 1571 N TYR A 101 10.382 -2.084 4.541 1.00 0.00 N ATOM 1572 CA TYR A 101 10.272 -3.448 4.047 1.00 0.00 C ATOM 1573 C TYR A 101 11.654 -4.042 3.821 1.00 0.00 C ATOM 1574 O TYR A 101 11.901 -5.199 4.152 1.00 0.00 O ATOM 1575 CB TYR A 101 9.467 -3.501 2.748 1.00 0.00 C ATOM 1576 CG TYR A 101 9.179 -4.914 2.289 1.00 0.00 C ATOM 1577 CD1 TYR A 101 10.158 -5.672 1.657 1.00 0.00 C ATOM 1578 CD2 TYR A 101 7.933 -5.495 2.498 1.00 0.00 C ATOM 1579 CE1 TYR A 101 9.903 -6.967 1.246 1.00 0.00 C ATOM 1580 CE2 TYR A 101 7.672 -6.789 2.088 1.00 0.00 C ATOM 1581 CZ TYR A 101 8.660 -7.519 1.464 1.00 0.00 C ATOM 1582 OH TYR A 101 8.407 -8.807 1.059 1.00 0.00 O ATOM 0 H TYR A 101 10.080 -1.368 3.880 1.00 0.00 H new ATOM 0 HA TYR A 101 9.748 -4.035 4.801 1.00 0.00 H new ATOM 0 HB2 TYR A 101 8.525 -2.971 2.889 1.00 0.00 H new ATOM 0 HB3 TYR A 101 10.014 -2.975 1.966 1.00 0.00 H new ATOM 0 HD1 TYR A 101 11.134 -5.242 1.484 1.00 0.00 H new ATOM 0 HD2 TYR A 101 7.157 -4.926 2.988 1.00 0.00 H new ATOM 0 HE1 TYR A 101 10.674 -7.543 0.756 1.00 0.00 H new ATOM 0 HE2 TYR A 101 6.699 -7.226 2.256 1.00 0.00 H new ATOM 0 HH TYR A 101 7.742 -9.212 1.654 1.00 0.00 H new ATOM 1592 N LEU A 102 12.555 -3.244 3.255 1.00 0.00 N ATOM 1593 CA LEU A 102 13.911 -3.704 2.991 1.00 0.00 C ATOM 1594 C LEU A 102 14.749 -3.729 4.267 1.00 0.00 C ATOM 1595 O LEU A 102 15.706 -4.493 4.371 1.00 0.00 O ATOM 1596 CB LEU A 102 14.592 -2.843 1.924 1.00 0.00 C ATOM 1597 CG LEU A 102 14.645 -1.344 2.211 1.00 0.00 C ATOM 1598 CD1 LEU A 102 15.900 -1.003 2.999 1.00 0.00 C ATOM 1599 CD2 LEU A 102 14.601 -0.558 0.906 1.00 0.00 C ATOM 0 H LEU A 102 12.370 -2.281 2.972 1.00 0.00 H new ATOM 0 HA LEU A 102 13.837 -4.723 2.612 1.00 0.00 H new ATOM 0 HB2 LEU A 102 15.612 -3.204 1.790 1.00 0.00 H new ATOM 0 HB3 LEU A 102 14.073 -2.994 0.977 1.00 0.00 H new ATOM 0 HG LEU A 102 13.777 -1.069 2.810 1.00 0.00 H new ATOM 0 HD11 LEU A 102 15.925 0.069 3.197 1.00 0.00 H new ATOM 0 HD12 LEU A 102 15.895 -1.546 3.944 1.00 0.00 H new ATOM 0 HD13 LEU A 102 16.780 -1.286 2.422 1.00 0.00 H new ATOM 0 HD21 LEU A 102 14.639 0.510 1.123 1.00 0.00 H new ATOM 0 HD22 LEU A 102 15.454 -0.833 0.286 1.00 0.00 H new ATOM 0 HD23 LEU A 102 13.678 -0.787 0.374 1.00 0.00 H new ATOM 1611 N VAL A 103 14.392 -2.893 5.237 1.00 0.00 N ATOM 1612 CA VAL A 103 15.129 -2.845 6.495 1.00 0.00 C ATOM 1613 C VAL A 103 14.820 -4.067 7.354 1.00 0.00 C ATOM 1614 O VAL A 103 15.729 -4.711 7.878 1.00 0.00 O ATOM 1615 CB VAL A 103 14.810 -1.574 7.307 1.00 0.00 C ATOM 1616 CG1 VAL A 103 15.087 -1.809 8.786 1.00 0.00 C ATOM 1617 CG2 VAL A 103 15.614 -0.391 6.787 1.00 0.00 C ATOM 0 H VAL A 103 13.606 -2.246 5.178 1.00 0.00 H new ATOM 0 HA VAL A 103 16.187 -2.834 6.232 1.00 0.00 H new ATOM 0 HB VAL A 103 13.752 -1.342 7.188 1.00 0.00 H new ATOM 0 HG11 VAL A 103 14.857 -0.903 9.348 1.00 0.00 H new ATOM 0 HG12 VAL A 103 14.464 -2.628 9.147 1.00 0.00 H new ATOM 0 HG13 VAL A 103 16.138 -2.064 8.923 1.00 0.00 H new ATOM 0 HG21 VAL A 103 15.375 0.497 7.373 1.00 0.00 H new ATOM 0 HG22 VAL A 103 16.679 -0.608 6.875 1.00 0.00 H new ATOM 0 HG23 VAL A 103 15.365 -0.213 5.741 1.00 0.00 H new ATOM 1627 N ALA A 104 13.532 -4.378 7.496 1.00 0.00 N ATOM 1628 CA ALA A 104 13.098 -5.523 8.294 1.00 0.00 C ATOM 1629 C ALA A 104 13.964 -6.749 8.021 1.00 0.00 C ATOM 1630 O ALA A 104 14.090 -7.637 8.865 1.00 0.00 O ATOM 1631 CB ALA A 104 11.636 -5.834 8.015 1.00 0.00 C ATOM 0 H ALA A 104 12.770 -3.852 7.068 1.00 0.00 H new ATOM 0 HA ALA A 104 13.210 -5.263 9.346 1.00 0.00 H new ATOM 0 HB1 ALA A 104 11.325 -6.689 8.615 1.00 0.00 H new ATOM 0 HB2 ALA A 104 11.025 -4.969 8.271 1.00 0.00 H new ATOM 0 HB3 ALA A 104 11.509 -6.068 6.958 1.00 0.00 H new ATOM 1637 N HIS A 105 14.567 -6.781 6.838 1.00 0.00 N ATOM 1638 CA HIS A 105 15.430 -7.878 6.445 1.00 0.00 C ATOM 1639 C HIS A 105 16.329 -7.456 5.282 1.00 0.00 C ATOM 1640 O HIS A 105 15.857 -6.856 4.319 1.00 0.00 O ATOM 1641 CB HIS A 105 14.606 -9.114 6.066 1.00 0.00 C ATOM 1642 CG HIS A 105 13.377 -8.824 5.252 1.00 0.00 C ATOM 1643 ND1 HIS A 105 12.608 -9.820 4.684 1.00 0.00 N ATOM 1644 CD2 HIS A 105 12.780 -7.655 4.911 1.00 0.00 C ATOM 1645 CE1 HIS A 105 11.597 -9.277 4.031 1.00 0.00 C ATOM 1646 NE2 HIS A 105 11.678 -7.966 4.153 1.00 0.00 N ATOM 0 H HIS A 105 14.470 -6.051 6.132 1.00 0.00 H new ATOM 0 HA HIS A 105 16.059 -8.139 7.296 1.00 0.00 H new ATOM 0 HB2 HIS A 105 15.242 -9.800 5.507 1.00 0.00 H new ATOM 0 HB3 HIS A 105 14.307 -9.629 6.979 1.00 0.00 H new ATOM 0 HD2 HIS A 105 13.110 -6.664 5.185 1.00 0.00 H new ATOM 0 HE1 HIS A 105 10.833 -9.815 3.489 1.00 0.00 H new ATOM 0 HE2 HIS A 105 11.027 -7.292 3.749 1.00 0.00 H new ATOM 1655 N PRO A 106 17.642 -7.757 5.368 1.00 0.00 N ATOM 1656 CA PRO A 106 18.633 -7.412 4.349 1.00 0.00 C ATOM 1657 C PRO A 106 18.065 -7.296 2.934 1.00 0.00 C ATOM 1658 O PRO A 106 17.087 -7.953 2.581 1.00 0.00 O ATOM 1659 CB PRO A 106 19.609 -8.578 4.452 1.00 0.00 C ATOM 1660 CG PRO A 106 19.576 -8.986 5.896 1.00 0.00 C ATOM 1661 CD PRO A 106 18.284 -8.458 6.489 1.00 0.00 C ATOM 0 HA PRO A 106 19.068 -6.427 4.520 1.00 0.00 H new ATOM 0 HB2 PRO A 106 19.311 -9.401 3.802 1.00 0.00 H new ATOM 0 HB3 PRO A 106 20.613 -8.280 4.149 1.00 0.00 H new ATOM 0 HG2 PRO A 106 19.625 -10.071 5.989 1.00 0.00 H new ATOM 0 HG3 PRO A 106 20.436 -8.581 6.429 1.00 0.00 H new ATOM 0 HD2 PRO A 106 17.658 -9.266 6.866 1.00 0.00 H new ATOM 0 HD3 PRO A 106 18.474 -7.785 7.325 1.00 0.00 H new ATOM 1669 N LYS A 107 18.692 -6.435 2.138 1.00 0.00 N ATOM 1670 CA LYS A 107 18.269 -6.186 0.763 1.00 0.00 C ATOM 1671 C LYS A 107 17.965 -7.476 -0.002 1.00 0.00 C ATOM 1672 O LYS A 107 16.841 -7.687 -0.455 1.00 0.00 O ATOM 1673 CB LYS A 107 19.343 -5.386 0.022 1.00 0.00 C ATOM 1674 CG LYS A 107 19.059 -3.893 -0.033 1.00 0.00 C ATOM 1675 CD LYS A 107 19.405 -3.209 1.282 1.00 0.00 C ATOM 1676 CE LYS A 107 20.514 -2.184 1.104 1.00 0.00 C ATOM 1677 NZ LYS A 107 21.696 -2.759 0.405 1.00 0.00 N ATOM 0 H LYS A 107 19.505 -5.891 2.427 1.00 0.00 H new ATOM 0 HA LYS A 107 17.343 -5.613 0.812 1.00 0.00 H new ATOM 0 HB2 LYS A 107 20.305 -5.547 0.509 1.00 0.00 H new ATOM 0 HB3 LYS A 107 19.432 -5.768 -0.995 1.00 0.00 H new ATOM 0 HG2 LYS A 107 19.635 -3.442 -0.841 1.00 0.00 H new ATOM 0 HG3 LYS A 107 18.006 -3.730 -0.263 1.00 0.00 H new ATOM 0 HD2 LYS A 107 18.517 -2.720 1.683 1.00 0.00 H new ATOM 0 HD3 LYS A 107 19.714 -3.957 2.012 1.00 0.00 H new ATOM 0 HE2 LYS A 107 20.135 -1.334 0.536 1.00 0.00 H new ATOM 0 HE3 LYS A 107 20.818 -1.805 2.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 22.545 -2.210 0.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 21.826 -3.748 0.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 21.544 -2.721 -0.623 1.00 0.00 H new ATOM 1691 N GLU A 108 18.974 -8.321 -0.167 1.00 0.00 N ATOM 1692 CA GLU A 108 18.806 -9.569 -0.905 1.00 0.00 C ATOM 1693 C GLU A 108 17.987 -10.591 -0.122 1.00 0.00 C ATOM 1694 O GLU A 108 17.333 -11.449 -0.714 1.00 0.00 O ATOM 1695 CB GLU A 108 20.170 -10.160 -1.265 1.00 0.00 C ATOM 1696 CG GLU A 108 20.114 -11.180 -2.391 1.00 0.00 C ATOM 1697 CD GLU A 108 21.409 -11.954 -2.544 1.00 0.00 C ATOM 1698 OE1 GLU A 108 21.613 -12.925 -1.785 1.00 0.00 O ATOM 1699 OE2 GLU A 108 22.218 -11.590 -3.422 1.00 0.00 O ATOM 0 H GLU A 108 19.914 -8.168 0.198 1.00 0.00 H new ATOM 0 HA GLU A 108 18.258 -9.335 -1.818 1.00 0.00 H new ATOM 0 HB2 GLU A 108 20.843 -9.352 -1.552 1.00 0.00 H new ATOM 0 HB3 GLU A 108 20.597 -10.631 -0.380 1.00 0.00 H new ATOM 0 HG2 GLU A 108 19.298 -11.878 -2.203 1.00 0.00 H new ATOM 0 HG3 GLU A 108 19.888 -10.670 -3.327 1.00 0.00 H new ATOM 1706 N GLU A 109 18.026 -10.504 1.205 1.00 0.00 N ATOM 1707 CA GLU A 109 17.281 -11.437 2.049 1.00 0.00 C ATOM 1708 C GLU A 109 15.848 -11.610 1.549 1.00 0.00 C ATOM 1709 O GLU A 109 15.244 -12.669 1.719 1.00 0.00 O ATOM 1710 CB GLU A 109 17.273 -10.961 3.503 1.00 0.00 C ATOM 1711 CG GLU A 109 16.299 -11.729 4.382 1.00 0.00 C ATOM 1712 CD GLU A 109 16.710 -11.739 5.841 1.00 0.00 C ATOM 1713 OE1 GLU A 109 17.907 -11.521 6.123 1.00 0.00 O ATOM 1714 OE2 GLU A 109 15.834 -11.965 6.703 1.00 0.00 O ATOM 0 H GLU A 109 18.561 -9.803 1.717 1.00 0.00 H new ATOM 0 HA GLU A 109 17.782 -12.403 1.996 1.00 0.00 H new ATOM 0 HB2 GLU A 109 18.277 -11.058 3.915 1.00 0.00 H new ATOM 0 HB3 GLU A 109 17.018 -9.902 3.530 1.00 0.00 H new ATOM 0 HG2 GLU A 109 15.307 -11.286 4.291 1.00 0.00 H new ATOM 0 HG3 GLU A 109 16.224 -12.755 4.023 1.00 0.00 H new ATOM 1721 N TRP A 110 15.316 -10.569 0.919 1.00 0.00 N ATOM 1722 CA TRP A 110 13.967 -10.612 0.382 1.00 0.00 C ATOM 1723 C TRP A 110 14.012 -10.626 -1.130 1.00 0.00 C ATOM 1724 O TRP A 110 13.373 -11.456 -1.758 1.00 0.00 O ATOM 1725 CB TRP A 110 13.134 -9.418 0.861 1.00 0.00 C ATOM 1726 CG TRP A 110 13.893 -8.132 0.996 1.00 0.00 C ATOM 1727 CD1 TRP A 110 14.424 -7.620 2.140 1.00 0.00 C ATOM 1728 CD2 TRP A 110 14.186 -7.183 -0.040 1.00 0.00 C ATOM 1729 NE1 TRP A 110 15.024 -6.414 1.883 1.00 0.00 N ATOM 1730 CE2 TRP A 110 14.892 -6.123 0.554 1.00 0.00 C ATOM 1731 CE3 TRP A 110 13.921 -7.124 -1.410 1.00 0.00 C ATOM 1732 CZ2 TRP A 110 15.334 -5.021 -0.173 1.00 0.00 C ATOM 1733 CZ3 TRP A 110 14.361 -6.031 -2.130 1.00 0.00 C ATOM 1734 CH2 TRP A 110 15.059 -4.992 -1.509 1.00 0.00 C ATOM 0 H TRP A 110 15.802 -9.685 0.769 1.00 0.00 H new ATOM 0 HA TRP A 110 13.493 -11.524 0.744 1.00 0.00 H new ATOM 0 HB2 TRP A 110 12.310 -9.265 0.164 1.00 0.00 H new ATOM 0 HB3 TRP A 110 12.693 -9.666 1.826 1.00 0.00 H new ATOM 0 HD1 TRP A 110 14.379 -8.095 3.109 1.00 0.00 H new ATOM 0 HE1 TRP A 110 15.494 -5.828 2.573 1.00 0.00 H new ATOM 0 HE3 TRP A 110 13.380 -7.921 -1.899 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 15.876 -4.217 0.304 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 14.162 -5.978 -3.190 1.00 0.00 H new ATOM 0 HH2 TRP A 110 15.387 -4.149 -2.099 1.00 0.00 H new ATOM 1745 N ALA A 111 14.774 -9.697 -1.705 1.00 0.00 N ATOM 1746 CA ALA A 111 14.897 -9.583 -3.159 1.00 0.00 C ATOM 1747 C ALA A 111 13.522 -9.648 -3.818 1.00 0.00 C ATOM 1748 O ALA A 111 13.019 -8.656 -4.344 1.00 0.00 O ATOM 1749 CB ALA A 111 15.807 -10.674 -3.705 1.00 0.00 C ATOM 0 H ALA A 111 15.318 -9.009 -1.184 1.00 0.00 H new ATOM 0 HA ALA A 111 15.344 -8.617 -3.393 1.00 0.00 H new ATOM 0 HB1 ALA A 111 15.887 -10.573 -4.787 1.00 0.00 H new ATOM 0 HB2 ALA A 111 16.797 -10.580 -3.258 1.00 0.00 H new ATOM 0 HB3 ALA A 111 15.390 -11.651 -3.461 1.00 0.00 H new ATOM 1755 N ASP A 112 12.918 -10.825 -3.754 1.00 0.00 N ATOM 1756 CA ASP A 112 11.586 -11.052 -4.305 1.00 0.00 C ATOM 1757 C ASP A 112 10.675 -11.678 -3.253 1.00 0.00 C ATOM 1758 O ASP A 112 9.456 -11.513 -3.296 1.00 0.00 O ATOM 1759 CB ASP A 112 11.659 -11.943 -5.547 1.00 0.00 C ATOM 1760 CG ASP A 112 12.492 -11.326 -6.653 1.00 0.00 C ATOM 1761 OD1 ASP A 112 11.931 -10.555 -7.459 1.00 0.00 O ATOM 1762 OD2 ASP A 112 13.706 -11.615 -6.714 1.00 0.00 O ATOM 0 H ASP A 112 13.334 -11.649 -3.320 1.00 0.00 H new ATOM 0 HA ASP A 112 11.168 -10.089 -4.599 1.00 0.00 H new ATOM 0 HB2 ASP A 112 12.082 -12.909 -5.273 1.00 0.00 H new ATOM 0 HB3 ASP A 112 10.651 -12.130 -5.916 1.00 0.00 H new ATOM 1767 N VAL A 113 11.277 -12.379 -2.297 1.00 0.00 N ATOM 1768 CA VAL A 113 10.539 -13.004 -1.220 1.00 0.00 C ATOM 1769 C VAL A 113 9.728 -14.195 -1.710 1.00 0.00 C ATOM 1770 O VAL A 113 9.955 -15.325 -1.281 1.00 0.00 O ATOM 1771 CB VAL A 113 9.615 -11.985 -0.520 1.00 0.00 C ATOM 1772 CG1 VAL A 113 8.949 -12.611 0.688 1.00 0.00 C ATOM 1773 CG2 VAL A 113 10.403 -10.752 -0.116 1.00 0.00 C ATOM 0 H VAL A 113 12.285 -12.526 -2.253 1.00 0.00 H new ATOM 0 HA VAL A 113 11.271 -13.368 -0.499 1.00 0.00 H new ATOM 0 HB VAL A 113 8.836 -11.685 -1.221 1.00 0.00 H new ATOM 0 HG11 VAL A 113 8.302 -11.877 1.168 1.00 0.00 H new ATOM 0 HG12 VAL A 113 8.354 -13.468 0.372 1.00 0.00 H new ATOM 0 HG13 VAL A 113 9.711 -12.939 1.394 1.00 0.00 H new ATOM 0 HG21 VAL A 113 9.739 -10.041 0.377 1.00 0.00 H new ATOM 0 HG22 VAL A 113 11.201 -11.038 0.569 1.00 0.00 H new ATOM 0 HG23 VAL A 113 10.835 -10.290 -1.003 1.00 0.00 H new ATOM 1783 N THR A 114 8.777 -13.939 -2.600 1.00 0.00 N ATOM 1784 CA THR A 114 7.924 -14.997 -3.135 1.00 0.00 C ATOM 1785 C THR A 114 7.018 -15.577 -2.046 1.00 0.00 C ATOM 1786 O THR A 114 6.204 -16.462 -2.311 1.00 0.00 O ATOM 1787 CB THR A 114 8.769 -16.113 -3.763 1.00 0.00 C ATOM 1788 OG1 THR A 114 9.155 -17.066 -2.788 1.00 0.00 O ATOM 1789 CG2 THR A 114 10.028 -15.611 -4.438 1.00 0.00 C ATOM 0 H THR A 114 8.576 -13.009 -2.967 1.00 0.00 H new ATOM 0 HA THR A 114 7.296 -14.555 -3.908 1.00 0.00 H new ATOM 0 HB THR A 114 8.126 -16.562 -4.520 1.00 0.00 H new ATOM 0 HG1 THR A 114 9.759 -16.646 -2.141 1.00 0.00 H new ATOM 0 HG21 THR A 114 10.576 -16.454 -4.859 1.00 0.00 H new ATOM 0 HG22 THR A 114 9.762 -14.917 -5.235 1.00 0.00 H new ATOM 0 HG23 THR A 114 10.654 -15.101 -3.706 1.00 0.00 H new ATOM 1797 N GLU A 115 7.164 -15.073 -0.821 1.00 0.00 N ATOM 1798 CA GLU A 115 6.365 -15.536 0.301 1.00 0.00 C ATOM 1799 C GLU A 115 6.459 -14.560 1.460 1.00 0.00 C ATOM 1800 O GLU A 115 7.503 -14.442 2.100 1.00 0.00 O ATOM 1801 CB GLU A 115 6.841 -16.904 0.760 1.00 0.00 C ATOM 1802 CG GLU A 115 8.354 -17.033 0.834 1.00 0.00 C ATOM 1803 CD GLU A 115 8.802 -18.431 1.211 1.00 0.00 C ATOM 1804 OE1 GLU A 115 8.980 -19.264 0.297 1.00 0.00 O ATOM 1805 OE2 GLU A 115 8.974 -18.695 2.419 1.00 0.00 O ATOM 0 H GLU A 115 7.833 -14.340 -0.585 1.00 0.00 H new ATOM 0 HA GLU A 115 5.328 -15.605 -0.028 1.00 0.00 H new ATOM 0 HB2 GLU A 115 6.419 -17.115 1.743 1.00 0.00 H new ATOM 0 HB3 GLU A 115 6.454 -17.661 0.078 1.00 0.00 H new ATOM 0 HG2 GLU A 115 8.785 -16.765 -0.130 1.00 0.00 H new ATOM 0 HG3 GLU A 115 8.740 -16.322 1.565 1.00 0.00 H new ATOM 1812 N THR A 116 5.372 -13.853 1.722 1.00 0.00 N ATOM 1813 CA THR A 116 5.350 -12.885 2.792 1.00 0.00 C ATOM 1814 C THR A 116 4.136 -13.072 3.694 1.00 0.00 C ATOM 1815 O THR A 116 3.237 -13.857 3.394 1.00 0.00 O ATOM 1816 CB THR A 116 5.356 -11.488 2.197 1.00 0.00 C ATOM 1817 OG1 THR A 116 6.271 -11.407 1.121 1.00 0.00 O ATOM 1818 CG2 THR A 116 5.731 -10.437 3.198 1.00 0.00 C ATOM 0 H THR A 116 4.496 -13.935 1.205 1.00 0.00 H new ATOM 0 HA THR A 116 6.237 -13.029 3.409 1.00 0.00 H new ATOM 0 HB THR A 116 4.337 -11.304 1.856 1.00 0.00 H new ATOM 0 HG1 THR A 116 5.881 -11.830 0.328 1.00 0.00 H new ATOM 0 HG21 THR A 116 5.719 -9.458 2.719 1.00 0.00 H new ATOM 0 HG22 THR A 116 5.016 -10.447 4.021 1.00 0.00 H new ATOM 0 HG23 THR A 116 6.730 -10.641 3.583 1.00 0.00 H new ATOM 1826 N ASN A 117 4.122 -12.338 4.801 1.00 0.00 N ATOM 1827 CA ASN A 117 3.028 -12.407 5.758 1.00 0.00 C ATOM 1828 C ASN A 117 2.292 -11.074 5.825 1.00 0.00 C ATOM 1829 O ASN A 117 2.406 -10.334 6.802 1.00 0.00 O ATOM 1830 CB ASN A 117 3.557 -12.785 7.144 1.00 0.00 C ATOM 1831 CG ASN A 117 3.441 -14.272 7.420 1.00 0.00 C ATOM 1832 OD1 ASN A 117 4.428 -14.935 7.738 1.00 0.00 O ATOM 1833 ND2 ASN A 117 2.230 -14.803 7.300 1.00 0.00 N ATOM 0 H ASN A 117 4.862 -11.685 5.057 1.00 0.00 H new ATOM 0 HA ASN A 117 2.329 -13.175 5.426 1.00 0.00 H new ATOM 0 HB2 ASN A 117 4.601 -12.483 7.226 1.00 0.00 H new ATOM 0 HB3 ASN A 117 3.004 -12.233 7.904 1.00 0.00 H new ATOM 0 HD21 ASN A 117 2.090 -15.798 7.474 1.00 0.00 H new ATOM 0 HD22 ASN A 117 1.440 -14.216 7.034 1.00 0.00 H new ATOM 1840 N ASP A 118 1.534 -10.778 4.776 1.00 0.00 N ATOM 1841 CA ASP A 118 0.767 -9.536 4.696 1.00 0.00 C ATOM 1842 C ASP A 118 -0.139 -9.349 5.906 1.00 0.00 C ATOM 1843 O ASP A 118 -0.632 -8.251 6.167 1.00 0.00 O ATOM 1844 CB ASP A 118 -0.080 -9.525 3.422 1.00 0.00 C ATOM 1845 CG ASP A 118 -0.729 -10.867 3.139 1.00 0.00 C ATOM 1846 OD1 ASP A 118 0.010 -11.857 2.952 1.00 0.00 O ATOM 1847 OD2 ASP A 118 -1.976 -10.928 3.106 1.00 0.00 O ATOM 0 H ASP A 118 1.432 -11.385 3.962 1.00 0.00 H new ATOM 0 HA ASP A 118 1.481 -8.713 4.677 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -0.854 -8.763 3.512 1.00 0.00 H new ATOM 0 HB3 ASP A 118 0.547 -9.244 2.576 1.00 0.00 H new ATOM 1852 N ALA A 119 -0.362 -10.430 6.626 1.00 0.00 N ATOM 1853 CA ALA A 119 -1.221 -10.409 7.804 1.00 0.00 C ATOM 1854 C ALA A 119 -0.450 -10.041 9.069 1.00 0.00 C ATOM 1855 O ALA A 119 -1.051 -9.741 10.100 1.00 0.00 O ATOM 1856 CB ALA A 119 -1.904 -11.757 7.978 1.00 0.00 C ATOM 0 H ALA A 119 0.041 -11.343 6.418 1.00 0.00 H new ATOM 0 HA ALA A 119 -1.975 -9.638 7.646 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -2.543 -11.730 8.861 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -2.510 -11.974 7.098 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -1.149 -12.534 8.100 1.00 0.00 H new ATOM 1862 N LEU A 120 0.879 -10.067 8.997 1.00 0.00 N ATOM 1863 CA LEU A 120 1.700 -9.735 10.157 1.00 0.00 C ATOM 1864 C LEU A 120 3.081 -9.237 9.739 1.00 0.00 C ATOM 1865 O LEU A 120 4.051 -9.380 10.483 1.00 0.00 O ATOM 1866 CB LEU A 120 1.838 -10.956 11.070 1.00 0.00 C ATOM 1867 CG LEU A 120 1.599 -10.681 12.557 1.00 0.00 C ATOM 1868 CD1 LEU A 120 0.666 -11.725 13.152 1.00 0.00 C ATOM 1869 CD2 LEU A 120 2.919 -10.650 13.314 1.00 0.00 C ATOM 0 H LEU A 120 1.405 -10.312 8.158 1.00 0.00 H new ATOM 0 HA LEU A 120 1.203 -8.931 10.700 1.00 0.00 H new ATOM 0 HB2 LEU A 120 1.134 -11.720 10.739 1.00 0.00 H new ATOM 0 HB3 LEU A 120 2.839 -11.371 10.949 1.00 0.00 H new ATOM 0 HG LEU A 120 1.125 -9.704 12.653 1.00 0.00 H new ATOM 0 HD11 LEU A 120 0.509 -11.512 14.209 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -0.291 -11.698 12.630 1.00 0.00 H new ATOM 0 HD13 LEU A 120 1.110 -12.714 13.043 1.00 0.00 H new ATOM 0 HD21 LEU A 120 2.729 -10.453 14.369 1.00 0.00 H new ATOM 0 HD22 LEU A 120 3.421 -11.612 13.209 1.00 0.00 H new ATOM 0 HD23 LEU A 120 3.554 -9.863 12.907 1.00 0.00 H new ATOM 1881 N LYS A 121 3.165 -8.655 8.548 1.00 0.00 N ATOM 1882 CA LYS A 121 4.431 -8.141 8.043 1.00 0.00 C ATOM 1883 C LYS A 121 4.372 -6.630 7.840 1.00 0.00 C ATOM 1884 O LYS A 121 3.382 -6.097 7.338 1.00 0.00 O ATOM 1885 CB LYS A 121 4.793 -8.827 6.725 1.00 0.00 C ATOM 1886 CG LYS A 121 6.230 -8.591 6.291 1.00 0.00 C ATOM 1887 CD LYS A 121 7.189 -9.533 7.002 1.00 0.00 C ATOM 1888 CE LYS A 121 8.451 -8.812 7.447 1.00 0.00 C ATOM 1889 NZ LYS A 121 9.264 -9.640 8.380 1.00 0.00 N ATOM 0 H LYS A 121 2.374 -8.528 7.917 1.00 0.00 H new ATOM 0 HA LYS A 121 5.199 -8.357 8.785 1.00 0.00 H new ATOM 0 HB2 LYS A 121 4.624 -9.899 6.825 1.00 0.00 H new ATOM 0 HB3 LYS A 121 4.123 -8.470 5.943 1.00 0.00 H new ATOM 0 HG2 LYS A 121 6.313 -8.731 5.213 1.00 0.00 H new ATOM 0 HG3 LYS A 121 6.510 -7.559 6.501 1.00 0.00 H new ATOM 0 HD2 LYS A 121 6.694 -9.971 7.869 1.00 0.00 H new ATOM 0 HD3 LYS A 121 7.454 -10.355 6.337 1.00 0.00 H new ATOM 0 HE2 LYS A 121 9.050 -8.556 6.573 1.00 0.00 H new ATOM 0 HE3 LYS A 121 8.181 -7.875 7.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 10.116 -9.113 8.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 8.702 -9.864 9.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 9.543 -10.523 7.907 1.00 0.00 H new ATOM 1903 N MET A 122 5.447 -5.949 8.225 1.00 0.00 N ATOM 1904 CA MET A 122 5.540 -4.499 8.081 1.00 0.00 C ATOM 1905 C MET A 122 4.551 -3.772 8.993 1.00 0.00 C ATOM 1906 O MET A 122 3.684 -3.022 8.527 1.00 0.00 O ATOM 1907 CB MET A 122 5.312 -4.096 6.622 1.00 0.00 C ATOM 1908 CG MET A 122 6.598 -3.822 5.861 1.00 0.00 C ATOM 1909 SD MET A 122 6.340 -2.751 4.435 1.00 0.00 S ATOM 1910 CE MET A 122 7.082 -1.228 5.013 1.00 0.00 C ATOM 0 H MET A 122 6.271 -6.381 8.642 1.00 0.00 H new ATOM 0 HA MET A 122 6.544 -4.202 8.383 1.00 0.00 H new ATOM 0 HB2 MET A 122 4.762 -4.889 6.116 1.00 0.00 H new ATOM 0 HB3 MET A 122 4.685 -3.205 6.593 1.00 0.00 H new ATOM 0 HG2 MET A 122 7.322 -3.360 6.532 1.00 0.00 H new ATOM 0 HG3 MET A 122 7.028 -4.767 5.529 1.00 0.00 H new ATOM 0 HE1 MET A 122 7.194 -0.537 4.177 1.00 0.00 H new ATOM 0 HE2 MET A 122 6.443 -0.778 5.773 1.00 0.00 H new ATOM 0 HE3 MET A 122 8.062 -1.440 5.441 1.00 0.00 H new ATOM 1920 N LYS A 123 4.697 -3.976 10.300 1.00 0.00 N ATOM 1921 CA LYS A 123 3.831 -3.321 11.274 1.00 0.00 C ATOM 1922 C LYS A 123 3.807 -1.815 11.027 1.00 0.00 C ATOM 1923 O LYS A 123 2.825 -1.137 11.327 1.00 0.00 O ATOM 1924 CB LYS A 123 4.312 -3.610 12.698 1.00 0.00 C ATOM 1925 CG LYS A 123 4.001 -5.020 13.172 1.00 0.00 C ATOM 1926 CD LYS A 123 4.956 -6.035 12.566 1.00 0.00 C ATOM 1927 CE LYS A 123 5.265 -7.161 13.539 1.00 0.00 C ATOM 1928 NZ LYS A 123 6.575 -7.805 13.244 1.00 0.00 N ATOM 0 H LYS A 123 5.405 -4.588 10.707 1.00 0.00 H new ATOM 0 HA LYS A 123 2.821 -3.716 11.160 1.00 0.00 H new ATOM 0 HB2 LYS A 123 5.389 -3.448 12.748 1.00 0.00 H new ATOM 0 HB3 LYS A 123 3.850 -2.896 13.380 1.00 0.00 H new ATOM 0 HG2 LYS A 123 4.066 -5.062 14.259 1.00 0.00 H new ATOM 0 HG3 LYS A 123 2.976 -5.277 12.904 1.00 0.00 H new ATOM 0 HD2 LYS A 123 4.520 -6.448 11.657 1.00 0.00 H new ATOM 0 HD3 LYS A 123 5.882 -5.538 12.278 1.00 0.00 H new ATOM 0 HE2 LYS A 123 5.274 -6.770 14.556 1.00 0.00 H new ATOM 0 HE3 LYS A 123 4.474 -7.909 13.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 6.749 -8.568 13.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 6.559 -8.201 12.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 7.333 -7.097 13.314 1.00 0.00 H new ATOM 1942 N GLN A 124 4.900 -1.308 10.464 1.00 0.00 N ATOM 1943 CA GLN A 124 5.025 0.109 10.152 1.00 0.00 C ATOM 1944 C GLN A 124 4.018 0.512 9.088 1.00 0.00 C ATOM 1945 O GLN A 124 3.143 1.345 9.327 1.00 0.00 O ATOM 1946 CB GLN A 124 6.435 0.407 9.660 1.00 0.00 C ATOM 1947 CG GLN A 124 7.303 1.122 10.684 1.00 0.00 C ATOM 1948 CD GLN A 124 7.642 2.542 10.274 1.00 0.00 C ATOM 1949 OE1 GLN A 124 7.542 3.472 11.075 1.00 0.00 O ATOM 1950 NE2 GLN A 124 8.046 2.717 9.021 1.00 0.00 N ATOM 0 H GLN A 124 5.717 -1.864 10.213 1.00 0.00 H new ATOM 0 HA GLN A 124 4.827 0.682 11.058 1.00 0.00 H new ATOM 0 HB2 GLN A 124 6.917 -0.529 9.379 1.00 0.00 H new ATOM 0 HB3 GLN A 124 6.374 1.018 8.759 1.00 0.00 H new ATOM 0 HG2 GLN A 124 6.787 1.139 11.644 1.00 0.00 H new ATOM 0 HG3 GLN A 124 8.226 0.560 10.828 1.00 0.00 H new ATOM 0 HE21 GLN A 124 8.114 1.918 8.391 1.00 0.00 H new ATOM 0 HE22 GLN A 124 8.288 3.651 8.689 1.00 0.00 H new ATOM 1959 N LEU A 125 4.147 -0.096 7.912 1.00 0.00 N ATOM 1960 CA LEU A 125 3.253 0.175 6.800 1.00 0.00 C ATOM 1961 C LEU A 125 1.809 0.191 7.278 1.00 0.00 C ATOM 1962 O LEU A 125 0.974 0.934 6.760 1.00 0.00 O ATOM 1963 CB LEU A 125 3.449 -0.899 5.730 1.00 0.00 C ATOM 1964 CG LEU A 125 2.328 -1.034 4.703 1.00 0.00 C ATOM 1965 CD1 LEU A 125 2.859 -1.673 3.432 1.00 0.00 C ATOM 1966 CD2 LEU A 125 1.185 -1.855 5.280 1.00 0.00 C ATOM 0 H LEU A 125 4.871 -0.785 7.708 1.00 0.00 H new ATOM 0 HA LEU A 125 3.482 1.153 6.377 1.00 0.00 H new ATOM 0 HB2 LEU A 125 4.378 -0.689 5.199 1.00 0.00 H new ATOM 0 HB3 LEU A 125 3.576 -1.860 6.228 1.00 0.00 H new ATOM 0 HG LEU A 125 1.949 -0.042 4.458 1.00 0.00 H new ATOM 0 HD11 LEU A 125 2.051 -1.765 2.706 1.00 0.00 H new ATOM 0 HD12 LEU A 125 3.652 -1.051 3.016 1.00 0.00 H new ATOM 0 HD13 LEU A 125 3.256 -2.662 3.660 1.00 0.00 H new ATOM 0 HD21 LEU A 125 0.391 -1.945 4.539 1.00 0.00 H new ATOM 0 HD22 LEU A 125 1.548 -2.848 5.545 1.00 0.00 H new ATOM 0 HD23 LEU A 125 0.796 -1.361 6.170 1.00 0.00 H new ATOM 1978 N ASP A 126 1.529 -0.637 8.276 1.00 0.00 N ATOM 1979 CA ASP A 126 0.183 -0.724 8.831 1.00 0.00 C ATOM 1980 C ASP A 126 -0.148 0.517 9.654 1.00 0.00 C ATOM 1981 O ASP A 126 -1.116 1.228 9.373 1.00 0.00 O ATOM 1982 CB ASP A 126 0.043 -1.977 9.696 1.00 0.00 C ATOM 1983 CG ASP A 126 0.547 -3.224 8.995 1.00 0.00 C ATOM 1984 OD1 ASP A 126 0.297 -3.363 7.779 1.00 0.00 O ATOM 1985 OD2 ASP A 126 1.191 -4.061 9.662 1.00 0.00 O ATOM 0 H ASP A 126 2.211 -1.255 8.716 1.00 0.00 H new ATOM 0 HA ASP A 126 -0.521 -0.786 8.001 1.00 0.00 H new ATOM 0 HB2 ASP A 126 0.596 -1.837 10.625 1.00 0.00 H new ATOM 0 HB3 ASP A 126 -1.004 -2.114 9.966 1.00 0.00 H new ATOM 1990 N THR A 127 0.664 0.775 10.671 1.00 0.00 N ATOM 1991 CA THR A 127 0.461 1.930 11.535 1.00 0.00 C ATOM 1992 C THR A 127 0.473 3.225 10.729 1.00 0.00 C ATOM 1993 O THR A 127 -0.159 4.210 11.110 1.00 0.00 O ATOM 1994 CB THR A 127 1.541 1.980 12.618 1.00 0.00 C ATOM 1995 OG1 THR A 127 1.835 0.678 13.094 1.00 0.00 O ATOM 1996 CG2 THR A 127 1.154 2.827 13.810 1.00 0.00 C ATOM 0 H THR A 127 1.469 0.200 10.918 1.00 0.00 H new ATOM 0 HA THR A 127 -0.515 1.828 12.009 1.00 0.00 H new ATOM 0 HB THR A 127 2.410 2.431 12.139 1.00 0.00 H new ATOM 0 HG1 THR A 127 2.325 0.181 12.406 1.00 0.00 H new ATOM 0 HG21 THR A 127 1.964 2.820 14.540 1.00 0.00 H new ATOM 0 HG22 THR A 127 0.969 3.851 13.484 1.00 0.00 H new ATOM 0 HG23 THR A 127 0.251 2.422 14.266 1.00 0.00 H new ATOM 2004 N TYR A 128 1.193 3.221 9.613 1.00 0.00 N ATOM 2005 CA TYR A 128 1.280 4.400 8.767 1.00 0.00 C ATOM 2006 C TYR A 128 -0.053 4.670 8.088 1.00 0.00 C ATOM 2007 O TYR A 128 -0.611 5.758 8.209 1.00 0.00 O ATOM 2008 CB TYR A 128 2.382 4.224 7.720 1.00 0.00 C ATOM 2009 CG TYR A 128 3.754 4.647 8.203 1.00 0.00 C ATOM 2010 CD1 TYR A 128 4.136 4.458 9.526 1.00 0.00 C ATOM 2011 CD2 TYR A 128 4.666 5.234 7.335 1.00 0.00 C ATOM 2012 CE1 TYR A 128 5.387 4.842 9.969 1.00 0.00 C ATOM 2013 CE2 TYR A 128 5.920 5.621 7.771 1.00 0.00 C ATOM 2014 CZ TYR A 128 6.275 5.423 9.089 1.00 0.00 C ATOM 2015 OH TYR A 128 7.522 5.806 9.527 1.00 0.00 O ATOM 0 H TYR A 128 1.722 2.417 9.276 1.00 0.00 H new ATOM 0 HA TYR A 128 1.528 5.256 9.395 1.00 0.00 H new ATOM 0 HB2 TYR A 128 2.420 3.177 7.418 1.00 0.00 H new ATOM 0 HB3 TYR A 128 2.124 4.803 6.833 1.00 0.00 H new ATOM 0 HD1 TYR A 128 3.444 4.004 10.219 1.00 0.00 H new ATOM 0 HD2 TYR A 128 4.391 5.391 6.302 1.00 0.00 H new ATOM 0 HE1 TYR A 128 5.668 4.688 11.000 1.00 0.00 H new ATOM 0 HE2 TYR A 128 6.618 6.076 7.083 1.00 0.00 H new ATOM 0 HH TYR A 128 7.859 5.148 10.170 1.00 0.00 H new ATOM 2025 N ILE A 129 -0.559 3.672 7.376 1.00 0.00 N ATOM 2026 CA ILE A 129 -1.824 3.796 6.676 1.00 0.00 C ATOM 2027 C ILE A 129 -2.967 4.128 7.632 1.00 0.00 C ATOM 2028 O ILE A 129 -3.979 4.697 7.223 1.00 0.00 O ATOM 2029 CB ILE A 129 -2.158 2.501 5.919 1.00 0.00 C ATOM 2030 CG1 ILE A 129 -3.473 2.670 5.151 1.00 0.00 C ATOM 2031 CG2 ILE A 129 -2.232 1.328 6.883 1.00 0.00 C ATOM 2032 CD1 ILE A 129 -4.675 2.180 5.910 1.00 0.00 C ATOM 0 H ILE A 129 -0.107 2.764 7.270 1.00 0.00 H new ATOM 0 HA ILE A 129 -1.715 4.616 5.966 1.00 0.00 H new ATOM 0 HB ILE A 129 -1.366 2.293 5.200 1.00 0.00 H new ATOM 0 HG12 ILE A 129 -3.611 3.724 4.908 1.00 0.00 H new ATOM 0 HG13 ILE A 129 -3.405 2.131 4.206 1.00 0.00 H new ATOM 0 HG21 ILE A 129 -2.469 0.418 6.332 1.00 0.00 H new ATOM 0 HG22 ILE A 129 -1.272 1.208 7.385 1.00 0.00 H new ATOM 0 HG23 ILE A 129 -3.008 1.515 7.625 1.00 0.00 H new ATOM 0 HD11 ILE A 129 -5.571 2.330 5.308 1.00 0.00 H new ATOM 0 HD12 ILE A 129 -4.559 1.119 6.130 1.00 0.00 H new ATOM 0 HD13 ILE A 129 -4.768 2.736 6.843 1.00 0.00 H new ATOM 2044 N SER A 130 -2.810 3.769 8.902 1.00 0.00 N ATOM 2045 CA SER A 130 -3.843 4.033 9.893 1.00 0.00 C ATOM 2046 C SER A 130 -3.856 5.506 10.283 1.00 0.00 C ATOM 2047 O SER A 130 -4.914 6.131 10.360 1.00 0.00 O ATOM 2048 CB SER A 130 -3.622 3.163 11.131 1.00 0.00 C ATOM 2049 OG SER A 130 -4.358 3.652 12.239 1.00 0.00 O ATOM 0 H SER A 130 -1.982 3.297 9.266 1.00 0.00 H new ATOM 0 HA SER A 130 -4.809 3.786 9.453 1.00 0.00 H new ATOM 0 HB2 SER A 130 -3.922 2.137 10.916 1.00 0.00 H new ATOM 0 HB3 SER A 130 -2.561 3.140 11.378 1.00 0.00 H new ATOM 0 HG SER A 130 -4.200 3.077 13.016 1.00 0.00 H new ATOM 2055 N LYS A 131 -2.673 6.048 10.532 1.00 0.00 N ATOM 2056 CA LYS A 131 -2.536 7.446 10.921 1.00 0.00 C ATOM 2057 C LYS A 131 -2.516 8.363 9.702 1.00 0.00 C ATOM 2058 O LYS A 131 -2.879 9.536 9.790 1.00 0.00 O ATOM 2059 CB LYS A 131 -1.266 7.633 11.747 1.00 0.00 C ATOM 2060 CG LYS A 131 -1.387 7.083 13.157 1.00 0.00 C ATOM 2061 CD LYS A 131 -1.325 5.565 13.176 1.00 0.00 C ATOM 2062 CE LYS A 131 -1.733 5.007 14.530 1.00 0.00 C ATOM 2063 NZ LYS A 131 -1.091 5.743 15.653 1.00 0.00 N ATOM 0 H LYS A 131 -1.791 5.540 10.472 1.00 0.00 H new ATOM 0 HA LYS A 131 -3.401 7.717 11.526 1.00 0.00 H new ATOM 0 HB2 LYS A 131 -0.435 7.141 11.241 1.00 0.00 H new ATOM 0 HB3 LYS A 131 -1.025 8.695 11.797 1.00 0.00 H new ATOM 0 HG2 LYS A 131 -0.586 7.488 13.775 1.00 0.00 H new ATOM 0 HG3 LYS A 131 -2.328 7.414 13.597 1.00 0.00 H new ATOM 0 HD2 LYS A 131 -1.981 5.163 12.403 1.00 0.00 H new ATOM 0 HD3 LYS A 131 -0.313 5.238 12.937 1.00 0.00 H new ATOM 0 HE2 LYS A 131 -2.817 5.062 14.633 1.00 0.00 H new ATOM 0 HE3 LYS A 131 -1.461 3.953 14.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 -1.169 5.182 16.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 -0.087 5.904 15.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 -1.567 6.658 15.786 1.00 0.00 H new ATOM 2077 N TYR A 132 -2.092 7.822 8.565 1.00 0.00 N ATOM 2078 CA TYR A 132 -2.028 8.592 7.328 1.00 0.00 C ATOM 2079 C TYR A 132 -3.417 9.021 6.864 1.00 0.00 C ATOM 2080 O TYR A 132 -3.540 9.865 5.980 1.00 0.00 O ATOM 2081 CB TYR A 132 -1.327 7.795 6.227 1.00 0.00 C ATOM 2082 CG TYR A 132 0.098 8.243 5.988 1.00 0.00 C ATOM 2083 CD1 TYR A 132 0.370 9.468 5.391 1.00 0.00 C ATOM 2084 CD2 TYR A 132 1.171 7.446 6.368 1.00 0.00 C ATOM 2085 CE1 TYR A 132 1.671 9.884 5.179 1.00 0.00 C ATOM 2086 CE2 TYR A 132 2.473 7.856 6.158 1.00 0.00 C ATOM 2087 CZ TYR A 132 2.718 9.075 5.564 1.00 0.00 C ATOM 2088 OH TYR A 132 4.013 9.486 5.357 1.00 0.00 O ATOM 0 H TYR A 132 -1.787 6.853 8.474 1.00 0.00 H new ATOM 0 HA TYR A 132 -1.447 9.491 7.534 1.00 0.00 H new ATOM 0 HB2 TYR A 132 -1.330 6.738 6.494 1.00 0.00 H new ATOM 0 HB3 TYR A 132 -1.893 7.892 5.300 1.00 0.00 H new ATOM 0 HD1 TYR A 132 -0.448 10.105 5.088 1.00 0.00 H new ATOM 0 HD2 TYR A 132 0.984 6.490 6.835 1.00 0.00 H new ATOM 0 HE1 TYR A 132 1.866 10.839 4.714 1.00 0.00 H new ATOM 0 HE2 TYR A 132 3.296 7.224 6.458 1.00 0.00 H new ATOM 0 HH TYR A 132 4.342 9.945 6.158 1.00 0.00 H new ATOM 2098 N GLN A 133 -4.457 8.430 7.458 1.00 0.00 N ATOM 2099 CA GLN A 133 -5.850 8.740 7.108 1.00 0.00 C ATOM 2100 C GLN A 133 -6.046 10.205 6.700 1.00 0.00 C ATOM 2101 O GLN A 133 -6.888 10.511 5.856 1.00 0.00 O ATOM 2102 CB GLN A 133 -6.768 8.410 8.286 1.00 0.00 C ATOM 2103 CG GLN A 133 -7.277 6.978 8.278 1.00 0.00 C ATOM 2104 CD GLN A 133 -7.898 6.573 9.601 1.00 0.00 C ATOM 2105 OE1 GLN A 133 -8.481 7.398 10.305 1.00 0.00 O ATOM 2106 NE2 GLN A 133 -7.775 5.297 9.947 1.00 0.00 N ATOM 0 H GLN A 133 -4.361 7.727 8.191 1.00 0.00 H new ATOM 0 HA GLN A 133 -6.106 8.125 6.245 1.00 0.00 H new ATOM 0 HB2 GLN A 133 -6.230 8.590 9.217 1.00 0.00 H new ATOM 0 HB3 GLN A 133 -7.620 9.090 8.273 1.00 0.00 H new ATOM 0 HG2 GLN A 133 -8.015 6.863 7.484 1.00 0.00 H new ATOM 0 HG3 GLN A 133 -6.452 6.304 8.047 1.00 0.00 H new ATOM 0 HE21 GLN A 133 -7.284 4.647 9.333 1.00 0.00 H new ATOM 0 HE22 GLN A 133 -8.172 4.967 10.827 1.00 0.00 H new ATOM 2115 N ASP A 134 -5.271 11.102 7.299 1.00 0.00 N ATOM 2116 CA ASP A 134 -5.370 12.525 6.992 1.00 0.00 C ATOM 2117 C ASP A 134 -4.775 12.837 5.620 1.00 0.00 C ATOM 2118 O ASP A 134 -4.019 12.040 5.065 1.00 0.00 O ATOM 2119 CB ASP A 134 -4.660 13.349 8.068 1.00 0.00 C ATOM 2120 CG ASP A 134 -5.569 13.684 9.234 1.00 0.00 C ATOM 2121 OD1 ASP A 134 -6.753 14.003 8.992 1.00 0.00 O ATOM 2122 OD2 ASP A 134 -5.098 13.629 10.389 1.00 0.00 O ATOM 0 H ASP A 134 -4.567 10.870 8.000 1.00 0.00 H new ATOM 0 HA ASP A 134 -6.427 12.792 6.974 1.00 0.00 H new ATOM 0 HB2 ASP A 134 -3.795 12.796 8.433 1.00 0.00 H new ATOM 0 HB3 ASP A 134 -4.285 14.272 7.626 1.00 0.00 H new ATOM 2127 N PRO A 135 -5.107 14.009 5.054 1.00 0.00 N ATOM 2128 CA PRO A 135 -4.601 14.427 3.743 1.00 0.00 C ATOM 2129 C PRO A 135 -3.079 14.370 3.668 1.00 0.00 C ATOM 2130 O PRO A 135 -2.506 14.206 2.590 1.00 0.00 O ATOM 2131 CB PRO A 135 -5.093 15.873 3.596 1.00 0.00 C ATOM 2132 CG PRO A 135 -5.548 16.279 4.956 1.00 0.00 C ATOM 2133 CD PRO A 135 -5.994 15.021 5.639 1.00 0.00 C ATOM 0 HA PRO A 135 -4.954 13.770 2.948 1.00 0.00 H new ATOM 0 HB2 PRO A 135 -4.296 16.524 3.238 1.00 0.00 H new ATOM 0 HB3 PRO A 135 -5.907 15.939 2.874 1.00 0.00 H new ATOM 0 HG2 PRO A 135 -4.741 16.758 5.510 1.00 0.00 H new ATOM 0 HG3 PRO A 135 -6.364 16.999 4.895 1.00 0.00 H new ATOM 0 HD2 PRO A 135 -5.879 15.084 6.721 1.00 0.00 H new ATOM 0 HD3 PRO A 135 -7.044 14.803 5.442 1.00 0.00 H new ATOM 2141 N SER A 136 -2.429 14.505 4.818 1.00 0.00 N ATOM 2142 CA SER A 136 -0.973 14.468 4.883 1.00 0.00 C ATOM 2143 C SER A 136 -0.503 13.928 6.229 1.00 0.00 C ATOM 2144 O SER A 136 0.254 12.960 6.290 1.00 0.00 O ATOM 2145 CB SER A 136 -0.395 15.866 4.651 1.00 0.00 C ATOM 2146 OG SER A 136 -0.161 16.099 3.272 1.00 0.00 O ATOM 0 H SER A 136 -2.888 14.641 5.719 1.00 0.00 H new ATOM 0 HA SER A 136 -0.616 13.800 4.099 1.00 0.00 H new ATOM 0 HB2 SER A 136 -1.084 16.617 5.038 1.00 0.00 H new ATOM 0 HB3 SER A 136 0.538 15.974 5.205 1.00 0.00 H new ATOM 0 HG SER A 136 0.206 16.999 3.150 1.00 0.00 H new ATOM 2152 N GLN A 137 -0.959 14.568 7.307 1.00 0.00 N ATOM 2153 CA GLN A 137 -0.598 14.167 8.669 1.00 0.00 C ATOM 2154 C GLN A 137 0.758 14.742 9.085 1.00 0.00 C ATOM 2155 O GLN A 137 1.081 14.781 10.272 1.00 0.00 O ATOM 2156 CB GLN A 137 -0.584 12.641 8.803 1.00 0.00 C ATOM 2157 CG GLN A 137 -1.236 12.137 10.081 1.00 0.00 C ATOM 2158 CD GLN A 137 -0.397 11.093 10.792 1.00 0.00 C ATOM 2159 OE1 GLN A 137 -0.225 11.143 12.009 1.00 0.00 O ATOM 2160 NE2 GLN A 137 0.131 10.140 10.032 1.00 0.00 N ATOM 0 H GLN A 137 -1.584 15.373 7.263 1.00 0.00 H new ATOM 0 HA GLN A 137 -1.358 14.573 9.337 1.00 0.00 H new ATOM 0 HB2 GLN A 137 -1.097 12.205 7.946 1.00 0.00 H new ATOM 0 HB3 GLN A 137 0.448 12.291 8.769 1.00 0.00 H new ATOM 0 HG2 GLN A 137 -1.408 12.978 10.753 1.00 0.00 H new ATOM 0 HG3 GLN A 137 -2.212 11.713 9.844 1.00 0.00 H new ATOM 0 HE21 GLN A 137 -0.038 10.138 9.026 1.00 0.00 H new ATOM 0 HE22 GLN A 137 0.705 9.411 10.454 1.00 0.00 H new ATOM 2169 N ALA A 138 1.547 15.188 8.111 1.00 0.00 N ATOM 2170 CA ALA A 138 2.859 15.757 8.394 1.00 0.00 C ATOM 2171 C ALA A 138 3.752 14.751 9.113 1.00 0.00 C ATOM 2172 O ALA A 138 4.560 15.122 9.965 1.00 0.00 O ATOM 2173 CB ALA A 138 2.716 17.025 9.222 1.00 0.00 C ATOM 0 H ALA A 138 1.300 15.166 7.122 1.00 0.00 H new ATOM 0 HA ALA A 138 3.331 16.007 7.444 1.00 0.00 H new ATOM 0 HB1 ALA A 138 3.703 17.439 9.426 1.00 0.00 H new ATOM 0 HB2 ALA A 138 2.123 17.755 8.671 1.00 0.00 H new ATOM 0 HB3 ALA A 138 2.219 16.791 10.163 1.00 0.00 H new ATOM 2179 N ASP A 139 3.601 13.478 8.765 1.00 0.00 N ATOM 2180 CA ASP A 139 4.394 12.419 9.378 1.00 0.00 C ATOM 2181 C ASP A 139 4.164 12.372 10.886 1.00 0.00 C ATOM 2182 O ASP A 139 5.063 12.021 11.650 1.00 0.00 O ATOM 2183 CB ASP A 139 5.881 12.630 9.079 1.00 0.00 C ATOM 2184 CG ASP A 139 6.501 11.444 8.366 1.00 0.00 C ATOM 2185 OD1 ASP A 139 5.971 11.045 7.307 1.00 0.00 O ATOM 2186 OD2 ASP A 139 7.516 10.915 8.865 1.00 0.00 O ATOM 0 H ASP A 139 2.937 13.154 8.062 1.00 0.00 H new ATOM 0 HA ASP A 139 4.078 11.467 8.952 1.00 0.00 H new ATOM 0 HB2 ASP A 139 6.002 13.523 8.466 1.00 0.00 H new ATOM 0 HB3 ASP A 139 6.415 12.809 10.012 1.00 0.00 H new ATOM 2191 N ALA A 140 2.955 12.727 11.306 1.00 0.00 N ATOM 2192 CA ALA A 140 2.606 12.725 12.721 1.00 0.00 C ATOM 2193 C ALA A 140 2.245 11.322 13.195 1.00 0.00 C ATOM 2194 O ALA A 140 2.137 10.419 12.340 1.00 0.00 O ATOM 2195 CB ALA A 140 1.456 13.686 12.982 1.00 0.00 C ATOM 2196 OXT ALA A 140 2.073 11.138 14.419 1.00 0.00 O ATOM 0 H ALA A 140 2.200 13.020 10.686 1.00 0.00 H new ATOM 0 HA ALA A 140 3.477 13.057 13.286 1.00 0.00 H new ATOM 0 HB1 ALA A 140 1.206 13.674 14.043 1.00 0.00 H new ATOM 0 HB2 ALA A 140 1.751 14.694 12.690 1.00 0.00 H new ATOM 0 HB3 ALA A 140 0.586 13.379 12.401 1.00 0.00 H new TER 2202 ALA A 140