USER MOD reduce.3.24.130724 H: found=0, std=0, add=813, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 811 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 115 HIS : no HD1:sc= -0.262 K(o=0.59,f=-0.23) USER MOD Set 1.2: A 119 GLN : amide:sc= 0.854 K(o=0.59,f=-0.019) USER MOD Set 2.1: A 99 MET CE :methyl -157:sc= -0.0439 (180deg=-0.426) USER MOD Set 2.2: A 102 GLN : amide:sc= 0.561 K(o=0.52,f=-0.11) USER MOD Set 3.1: A 85 GLN : amide:sc= 2.04 K(o=3.3,f=0.48) USER MOD Set 3.2: A 125 SER OG : rot -12:sc= 1.23 USER MOD Set 4.1: A 77 ASN : amide:sc= 0.998 K(o=1,f=-0.45) USER MOD Set 4.2: A 79 SER OG : rot 180:sc= 0.00228 USER MOD Set 5.1: A 21 TYR OH : rot 180:sc= 0.00429 USER MOD Set 5.2: A 110 SER OG : rot -45:sc= 0.00369 USER MOD Single : A 9 LYS NZ :NH3+ -171:sc= 1.25 (180deg=1.15) USER MOD Single : A 23 HIS : no HE2:sc= 0.716 K(o=0.72,f=-2.3!) USER MOD Single : A 27 TYR OH : rot 180:sc= 0.13 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HD1:sc= 0 X(o=0,f=-0.029) USER MOD Single : A 57 SER OG : rot 180:sc= -0.585 USER MOD Single : A 61 LYS NZ :NH3+ 168:sc= 1.19 (180deg=1.11) USER MOD Single : A 72 CYS SG : rot 180:sc= 0 USER MOD Single : A 73 CYS SG : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= 1.22 K(o=1.2,f=-9.2!) USER MOD Single : A 82 HIS : no HD1:sc= -0.0677 X(o=-0.068,f=0) USER MOD Single : A 84 TYR OH : rot 30:sc=-0.00653 USER MOD Single : A 94 SER OG : rot 71:sc= 1.21 USER MOD Single : A 95 SER OG : rot -148:sc= 0.745 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 164:sc= 1.24 (180deg=0.97) USER MOD Single : A 104 MET CE :methyl -161:sc= -0.0566 (180deg=-0.521) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0.261 USER MOD Single : A 112 ASN : amide:sc= 0.02 K(o=0.02,f=-5.1!) USER MOD Single : A 113 CYS SG : rot 180:sc= 0 USER MOD Single : A 118 THR OG1 : rot 71:sc= 1.16 USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 89 N GLU A 7 3.838 -0.622 3.341 1.00 0.00 N ATOM 90 CA GLU A 7 3.973 0.145 4.587 1.00 0.00 C ATOM 91 C GLU A 7 2.580 0.556 5.111 1.00 0.00 C ATOM 92 O GLU A 7 1.897 1.335 4.435 1.00 0.00 O ATOM 93 CB GLU A 7 4.835 1.395 4.342 1.00 0.00 C ATOM 94 CG GLU A 7 5.096 2.190 5.631 1.00 0.00 C ATOM 95 CD GLU A 7 5.870 3.478 5.324 1.00 0.00 C ATOM 96 OE1 GLU A 7 5.221 4.509 5.024 1.00 0.00 O ATOM 97 OE2 GLU A 7 7.124 3.468 5.372 1.00 0.00 O ATOM 0 HA GLU A 7 4.459 -0.480 5.336 1.00 0.00 H new ATOM 0 HB2 GLU A 7 5.787 1.096 3.904 1.00 0.00 H new ATOM 0 HB3 GLU A 7 4.338 2.039 3.616 1.00 0.00 H new ATOM 0 HG2 GLU A 7 4.149 2.434 6.112 1.00 0.00 H new ATOM 0 HG3 GLU A 7 5.662 1.578 6.334 1.00 0.00 H new ATOM 104 N PRO A 8 2.154 0.083 6.299 1.00 0.00 N ATOM 105 CA PRO A 8 0.959 0.586 6.960 1.00 0.00 C ATOM 106 C PRO A 8 1.265 1.918 7.662 1.00 0.00 C ATOM 107 O PRO A 8 2.363 2.134 8.176 1.00 0.00 O ATOM 108 CB PRO A 8 0.547 -0.510 7.937 1.00 0.00 C ATOM 109 CG PRO A 8 1.882 -1.134 8.341 1.00 0.00 C ATOM 110 CD PRO A 8 2.735 -1.005 7.077 1.00 0.00 C ATOM 0 HA PRO A 8 0.148 0.800 6.264 1.00 0.00 H new ATOM 0 HB2 PRO A 8 0.015 -0.104 8.797 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -0.114 -1.240 7.469 1.00 0.00 H new ATOM 0 HG2 PRO A 8 2.332 -0.609 9.184 1.00 0.00 H new ATOM 0 HG3 PRO A 8 1.764 -2.175 8.641 1.00 0.00 H new ATOM 0 HD2 PRO A 8 3.774 -0.791 7.329 1.00 0.00 H new ATOM 0 HD3 PRO A 8 2.730 -1.935 6.508 1.00 0.00 H new ATOM 118 N LYS A 9 0.284 2.824 7.679 1.00 0.00 N ATOM 119 CA LYS A 9 0.430 4.175 8.243 1.00 0.00 C ATOM 120 C LYS A 9 -0.137 4.235 9.681 1.00 0.00 C ATOM 121 O LYS A 9 -1.186 3.636 9.936 1.00 0.00 O ATOM 122 CB LYS A 9 -0.256 5.193 7.309 1.00 0.00 C ATOM 123 CG LYS A 9 0.605 5.646 6.113 1.00 0.00 C ATOM 124 CD LYS A 9 1.132 4.505 5.224 1.00 0.00 C ATOM 125 CE LYS A 9 1.712 5.014 3.892 1.00 0.00 C ATOM 126 NZ LYS A 9 2.942 5.835 4.069 1.00 0.00 N ATOM 0 H LYS A 9 -0.645 2.642 7.299 1.00 0.00 H new ATOM 0 HA LYS A 9 1.488 4.430 8.312 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -1.179 4.754 6.930 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -0.536 6.071 7.892 1.00 0.00 H new ATOM 0 HG2 LYS A 9 0.016 6.325 5.496 1.00 0.00 H new ATOM 0 HG3 LYS A 9 1.455 6.215 6.491 1.00 0.00 H new ATOM 0 HD2 LYS A 9 1.902 3.954 5.764 1.00 0.00 H new ATOM 0 HD3 LYS A 9 0.322 3.805 5.020 1.00 0.00 H new ATOM 0 HE2 LYS A 9 1.940 4.162 3.252 1.00 0.00 H new ATOM 0 HE3 LYS A 9 0.957 5.607 3.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 3.200 6.274 3.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 2.765 6.577 4.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 3.721 5.227 4.393 1.00 0.00 H new ATOM 140 N PRO A 10 0.521 4.934 10.631 1.00 0.00 N ATOM 141 CA PRO A 10 0.123 4.927 12.034 1.00 0.00 C ATOM 142 C PRO A 10 -1.210 5.660 12.212 1.00 0.00 C ATOM 143 O PRO A 10 -1.399 6.777 11.728 1.00 0.00 O ATOM 144 CB PRO A 10 1.301 5.532 12.808 1.00 0.00 C ATOM 145 CG PRO A 10 1.944 6.464 11.784 1.00 0.00 C ATOM 146 CD PRO A 10 1.738 5.719 10.464 1.00 0.00 C ATOM 0 HA PRO A 10 -0.071 3.927 12.423 1.00 0.00 H new ATOM 0 HB2 PRO A 10 0.967 6.074 13.693 1.00 0.00 H new ATOM 0 HB3 PRO A 10 1.997 4.765 13.148 1.00 0.00 H new ATOM 0 HG2 PRO A 10 1.466 7.443 11.774 1.00 0.00 H new ATOM 0 HG3 PRO A 10 3.001 6.627 11.995 1.00 0.00 H new ATOM 0 HD2 PRO A 10 1.641 6.417 9.633 1.00 0.00 H new ATOM 0 HD3 PRO A 10 2.590 5.076 10.242 1.00 0.00 H new ATOM 154 N GLY A 11 -2.150 4.975 12.872 1.00 0.00 N ATOM 155 CA GLY A 11 -3.543 5.397 13.036 1.00 0.00 C ATOM 156 C GLY A 11 -4.444 5.058 11.852 1.00 0.00 C ATOM 157 O GLY A 11 -5.614 5.437 11.873 1.00 0.00 O ATOM 0 H GLY A 11 -1.954 4.081 13.322 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -3.949 4.929 13.933 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -3.567 6.474 13.200 1.00 0.00 H new ATOM 161 N ASP A 12 -3.923 4.390 10.821 1.00 0.00 N ATOM 162 CA ASP A 12 -4.673 3.943 9.643 1.00 0.00 C ATOM 163 C ASP A 12 -4.989 2.434 9.679 1.00 0.00 C ATOM 164 O ASP A 12 -4.486 1.673 10.513 1.00 0.00 O ATOM 165 CB ASP A 12 -3.957 4.367 8.346 1.00 0.00 C ATOM 166 CG ASP A 12 -4.949 4.958 7.331 1.00 0.00 C ATOM 167 OD1 ASP A 12 -6.006 4.336 7.080 1.00 0.00 O ATOM 168 OD2 ASP A 12 -4.702 6.093 6.857 1.00 0.00 O ATOM 0 H ASP A 12 -2.936 4.137 10.781 1.00 0.00 H new ATOM 0 HA ASP A 12 -5.641 4.443 9.662 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -3.187 5.103 8.577 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -3.454 3.506 7.907 1.00 0.00 H new ATOM 173 N LEU A 13 -5.855 2.022 8.750 1.00 0.00 N ATOM 174 CA LEU A 13 -6.491 0.712 8.707 1.00 0.00 C ATOM 175 C LEU A 13 -5.951 -0.210 7.598 1.00 0.00 C ATOM 176 O LEU A 13 -5.904 0.155 6.425 1.00 0.00 O ATOM 177 CB LEU A 13 -7.992 1.002 8.551 1.00 0.00 C ATOM 178 CG LEU A 13 -8.877 -0.242 8.437 1.00 0.00 C ATOM 179 CD1 LEU A 13 -8.723 -1.143 9.666 1.00 0.00 C ATOM 180 CD2 LEU A 13 -10.339 0.206 8.301 1.00 0.00 C ATOM 0 H LEU A 13 -6.141 2.621 7.976 1.00 0.00 H new ATOM 0 HA LEU A 13 -6.274 0.151 9.616 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.325 1.591 9.406 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -8.139 1.618 7.664 1.00 0.00 H new ATOM 0 HG LEU A 13 -8.573 -0.815 7.561 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -9.363 -2.019 9.558 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -7.684 -1.461 9.756 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -9.012 -0.591 10.560 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -10.982 -0.670 8.219 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -10.625 0.785 9.179 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -10.449 0.822 7.409 1.00 0.00 H new ATOM 192 N ILE A 14 -5.603 -1.442 7.976 1.00 0.00 N ATOM 193 CA ILE A 14 -5.050 -2.513 7.131 1.00 0.00 C ATOM 194 C ILE A 14 -6.065 -3.664 6.980 1.00 0.00 C ATOM 195 O ILE A 14 -6.754 -3.996 7.945 1.00 0.00 O ATOM 196 CB ILE A 14 -3.755 -3.098 7.777 1.00 0.00 C ATOM 197 CG1 ILE A 14 -2.850 -2.075 8.510 1.00 0.00 C ATOM 198 CG2 ILE A 14 -2.928 -3.842 6.706 1.00 0.00 C ATOM 199 CD1 ILE A 14 -1.748 -2.749 9.344 1.00 0.00 C ATOM 0 H ILE A 14 -5.705 -1.742 8.945 1.00 0.00 H new ATOM 0 HA ILE A 14 -4.826 -2.082 6.155 1.00 0.00 H new ATOM 0 HB ILE A 14 -4.110 -3.775 8.554 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -2.391 -1.412 7.777 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -3.465 -1.454 9.162 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -2.025 -4.249 7.161 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -3.521 -4.655 6.288 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -2.653 -3.148 5.912 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -1.145 -1.985 9.835 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -2.204 -3.392 10.097 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -1.113 -3.349 8.692 1.00 0.00 H new ATOM 211 N GLU A 15 -6.123 -4.302 5.809 1.00 0.00 N ATOM 212 CA GLU A 15 -6.841 -5.564 5.575 1.00 0.00 C ATOM 213 C GLU A 15 -5.777 -6.648 5.380 1.00 0.00 C ATOM 214 O GLU A 15 -5.000 -6.574 4.425 1.00 0.00 O ATOM 215 CB GLU A 15 -7.727 -5.511 4.321 1.00 0.00 C ATOM 216 CG GLU A 15 -8.955 -4.624 4.478 1.00 0.00 C ATOM 217 CD GLU A 15 -9.863 -4.735 3.243 1.00 0.00 C ATOM 218 OE1 GLU A 15 -10.693 -5.676 3.183 1.00 0.00 O ATOM 219 OE2 GLU A 15 -9.741 -3.898 2.317 1.00 0.00 O ATOM 0 H GLU A 15 -5.660 -3.948 4.972 1.00 0.00 H new ATOM 0 HA GLU A 15 -7.496 -5.764 6.423 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -7.133 -5.149 3.482 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -8.049 -6.522 4.071 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -9.509 -4.915 5.371 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -8.647 -3.588 4.618 1.00 0.00 H new ATOM 226 N ILE A 16 -5.727 -7.641 6.268 1.00 0.00 N ATOM 227 CA ILE A 16 -4.705 -8.702 6.307 1.00 0.00 C ATOM 228 C ILE A 16 -5.367 -10.063 6.053 1.00 0.00 C ATOM 229 O ILE A 16 -6.331 -10.420 6.724 1.00 0.00 O ATOM 230 CB ILE A 16 -3.973 -8.684 7.681 1.00 0.00 C ATOM 231 CG1 ILE A 16 -3.340 -7.298 7.982 1.00 0.00 C ATOM 232 CG2 ILE A 16 -2.896 -9.790 7.706 1.00 0.00 C ATOM 233 CD1 ILE A 16 -2.728 -7.146 9.380 1.00 0.00 C ATOM 0 H ILE A 16 -6.420 -7.737 7.010 1.00 0.00 H new ATOM 0 HA ILE A 16 -3.965 -8.526 5.526 1.00 0.00 H new ATOM 0 HB ILE A 16 -4.710 -8.875 8.461 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -2.565 -7.102 7.241 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -4.105 -6.532 7.853 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -2.384 -9.777 8.668 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -3.368 -10.761 7.559 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -2.174 -9.613 6.908 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -2.314 -6.144 9.489 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -3.499 -7.303 10.134 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -1.936 -7.883 9.512 1.00 0.00 H new ATOM 245 N PHE A 17 -4.842 -10.852 5.114 1.00 0.00 N ATOM 246 CA PHE A 17 -5.362 -12.173 4.745 1.00 0.00 C ATOM 247 C PHE A 17 -4.894 -13.249 5.751 1.00 0.00 C ATOM 248 O PHE A 17 -4.069 -14.104 5.430 1.00 0.00 O ATOM 249 CB PHE A 17 -4.944 -12.441 3.288 1.00 0.00 C ATOM 250 CG PHE A 17 -5.650 -13.606 2.616 1.00 0.00 C ATOM 251 CD1 PHE A 17 -6.985 -13.460 2.191 1.00 0.00 C ATOM 252 CD2 PHE A 17 -4.969 -14.813 2.365 1.00 0.00 C ATOM 253 CE1 PHE A 17 -7.629 -14.506 1.505 1.00 0.00 C ATOM 254 CE2 PHE A 17 -5.613 -15.859 1.680 1.00 0.00 C ATOM 255 CZ PHE A 17 -6.940 -15.701 1.241 1.00 0.00 C ATOM 0 H PHE A 17 -4.020 -10.583 4.573 1.00 0.00 H new ATOM 0 HA PHE A 17 -6.450 -12.208 4.797 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -5.127 -11.540 2.703 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -3.870 -12.625 3.263 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -7.516 -12.542 2.393 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -3.949 -14.936 2.699 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -8.653 -14.390 1.182 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -5.088 -16.784 1.491 1.00 0.00 H new ATOM 0 HZ PHE A 17 -7.429 -16.498 0.701 1.00 0.00 H new ATOM 265 N ARG A 18 -5.399 -13.187 6.993 1.00 0.00 N ATOM 266 CA ARG A 18 -4.901 -13.988 8.131 1.00 0.00 C ATOM 267 C ARG A 18 -5.081 -15.513 7.980 1.00 0.00 C ATOM 268 O ARG A 18 -4.249 -16.268 8.482 1.00 0.00 O ATOM 269 CB ARG A 18 -5.523 -13.477 9.455 1.00 0.00 C ATOM 270 CG ARG A 18 -4.503 -13.194 10.577 1.00 0.00 C ATOM 271 CD ARG A 18 -3.616 -14.395 10.957 1.00 0.00 C ATOM 272 NE ARG A 18 -2.614 -14.048 11.985 1.00 0.00 N ATOM 273 CZ ARG A 18 -2.679 -14.240 13.297 1.00 0.00 C ATOM 274 NH1 ARG A 18 -3.766 -14.682 13.897 1.00 0.00 N ATOM 275 NH2 ARG A 18 -1.621 -13.981 14.033 1.00 0.00 N ATOM 0 H ARG A 18 -6.174 -12.573 7.242 1.00 0.00 H new ATOM 0 HA ARG A 18 -3.821 -13.841 8.148 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -6.081 -12.563 9.250 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -6.241 -14.215 9.812 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -3.861 -12.369 10.267 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -5.042 -12.862 11.464 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -4.244 -15.206 11.324 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -3.107 -14.764 10.067 1.00 0.00 H new ATOM 0 HE ARG A 18 -1.762 -13.603 11.643 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -4.601 -14.891 13.350 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -3.772 -14.815 14.908 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -0.766 -13.638 13.595 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -1.655 -14.123 15.042 1.00 0.00 H new ATOM 289 N LEU A 19 -6.170 -15.966 7.343 1.00 0.00 N ATOM 290 CA LEU A 19 -6.666 -17.352 7.496 1.00 0.00 C ATOM 291 C LEU A 19 -7.538 -17.867 6.329 1.00 0.00 C ATOM 292 O LEU A 19 -8.405 -18.722 6.520 1.00 0.00 O ATOM 293 CB LEU A 19 -7.302 -17.485 8.905 1.00 0.00 C ATOM 294 CG LEU A 19 -8.389 -16.454 9.305 1.00 0.00 C ATOM 295 CD1 LEU A 19 -9.642 -16.501 8.427 1.00 0.00 C ATOM 296 CD2 LEU A 19 -8.789 -16.688 10.769 1.00 0.00 C ATOM 0 H LEU A 19 -6.731 -15.393 6.712 1.00 0.00 H new ATOM 0 HA LEU A 19 -5.820 -18.037 7.431 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -7.739 -18.481 8.983 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -6.500 -17.430 9.641 1.00 0.00 H new ATOM 0 HG LEU A 19 -7.949 -15.467 9.163 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -10.355 -15.751 8.770 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -9.369 -16.296 7.392 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -10.096 -17.490 8.493 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -9.553 -15.966 11.057 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -9.183 -17.698 10.882 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -7.915 -16.566 11.409 1.00 0.00 H new ATOM 308 N GLY A 20 -7.326 -17.332 5.119 1.00 0.00 N ATOM 309 CA GLY A 20 -8.178 -17.586 3.941 1.00 0.00 C ATOM 310 C GLY A 20 -9.280 -16.535 3.733 1.00 0.00 C ATOM 311 O GLY A 20 -10.172 -16.731 2.909 1.00 0.00 O ATOM 0 H GLY A 20 -6.548 -16.701 4.924 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -7.550 -17.621 3.051 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -8.640 -18.568 4.044 1.00 0.00 H new ATOM 315 N TYR A 21 -9.218 -15.430 4.482 1.00 0.00 N ATOM 316 CA TYR A 21 -10.188 -14.332 4.538 1.00 0.00 C ATOM 317 C TYR A 21 -9.549 -13.092 5.194 1.00 0.00 C ATOM 318 O TYR A 21 -8.699 -13.221 6.082 1.00 0.00 O ATOM 319 CB TYR A 21 -11.443 -14.804 5.297 1.00 0.00 C ATOM 320 CG TYR A 21 -12.428 -13.717 5.683 1.00 0.00 C ATOM 321 CD1 TYR A 21 -13.225 -13.103 4.697 1.00 0.00 C ATOM 322 CD2 TYR A 21 -12.561 -13.331 7.031 1.00 0.00 C ATOM 323 CE1 TYR A 21 -14.153 -12.106 5.056 1.00 0.00 C ATOM 324 CE2 TYR A 21 -13.487 -12.337 7.398 1.00 0.00 C ATOM 325 CZ TYR A 21 -14.284 -11.718 6.409 1.00 0.00 C ATOM 326 OH TYR A 21 -15.187 -10.761 6.763 1.00 0.00 O ATOM 0 H TYR A 21 -8.431 -15.268 5.111 1.00 0.00 H new ATOM 0 HA TYR A 21 -10.488 -14.045 3.530 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -11.963 -15.537 4.681 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -11.124 -15.318 6.204 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -13.124 -13.398 3.663 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -11.949 -13.800 7.787 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -14.764 -11.638 4.298 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -13.588 -12.048 8.434 1.00 0.00 H new ATOM 0 HH TYR A 21 -15.147 -10.616 7.731 1.00 0.00 H new ATOM 336 N GLU A 22 -9.920 -11.900 4.731 1.00 0.00 N ATOM 337 CA GLU A 22 -9.367 -10.622 5.172 1.00 0.00 C ATOM 338 C GLU A 22 -9.893 -10.203 6.558 1.00 0.00 C ATOM 339 O GLU A 22 -11.092 -9.987 6.751 1.00 0.00 O ATOM 340 CB GLU A 22 -9.670 -9.509 4.149 1.00 0.00 C ATOM 341 CG GLU A 22 -9.121 -9.765 2.736 1.00 0.00 C ATOM 342 CD GLU A 22 -10.152 -10.420 1.792 1.00 0.00 C ATOM 343 OE1 GLU A 22 -10.738 -11.474 2.138 1.00 0.00 O ATOM 344 OE2 GLU A 22 -10.368 -9.883 0.679 1.00 0.00 O ATOM 0 H GLU A 22 -10.638 -11.794 4.014 1.00 0.00 H new ATOM 0 HA GLU A 22 -8.289 -10.762 5.249 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -10.750 -9.378 4.086 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -9.256 -8.571 4.520 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -8.792 -8.820 2.304 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -8.243 -10.407 2.805 1.00 0.00 H new ATOM 351 N HIS A 23 -8.982 -10.024 7.514 1.00 0.00 N ATOM 352 CA HIS A 23 -9.251 -9.424 8.821 1.00 0.00 C ATOM 353 C HIS A 23 -8.735 -7.973 8.852 1.00 0.00 C ATOM 354 O HIS A 23 -7.646 -7.672 8.357 1.00 0.00 O ATOM 355 CB HIS A 23 -8.584 -10.257 9.931 1.00 0.00 C ATOM 356 CG HIS A 23 -9.406 -11.450 10.357 1.00 0.00 C ATOM 357 ND1 HIS A 23 -9.966 -11.647 11.600 1.00 0.00 N ATOM 358 CD2 HIS A 23 -9.788 -12.507 9.575 1.00 0.00 C ATOM 359 CE1 HIS A 23 -10.671 -12.787 11.562 1.00 0.00 C ATOM 360 NE2 HIS A 23 -10.593 -13.356 10.346 1.00 0.00 N ATOM 0 H HIS A 23 -8.007 -10.301 7.397 1.00 0.00 H new ATOM 0 HA HIS A 23 -10.327 -9.414 8.993 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -7.610 -10.601 9.582 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -8.405 -9.619 10.797 1.00 0.00 H new ATOM 0 HD1 HIS A 23 -9.863 -11.033 12.408 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -9.516 -12.660 8.541 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -11.226 -13.193 12.395 1.00 0.00 H new ATOM 368 N TRP A 24 -9.496 -7.076 9.482 1.00 0.00 N ATOM 369 CA TRP A 24 -9.073 -5.697 9.721 1.00 0.00 C ATOM 370 C TRP A 24 -8.008 -5.601 10.828 1.00 0.00 C ATOM 371 O TRP A 24 -8.079 -6.319 11.833 1.00 0.00 O ATOM 372 CB TRP A 24 -10.291 -4.864 10.122 1.00 0.00 C ATOM 373 CG TRP A 24 -11.341 -4.634 9.080 1.00 0.00 C ATOM 374 CD1 TRP A 24 -12.617 -5.046 9.203 1.00 0.00 C ATOM 375 CD2 TRP A 24 -11.301 -3.848 7.844 1.00 0.00 C ATOM 376 NE1 TRP A 24 -13.359 -4.619 8.122 1.00 0.00 N ATOM 377 CE2 TRP A 24 -12.614 -3.823 7.282 1.00 0.00 C ATOM 378 CE3 TRP A 24 -10.310 -3.110 7.162 1.00 0.00 C ATOM 379 CZ2 TRP A 24 -12.929 -3.102 6.121 1.00 0.00 C ATOM 380 CZ3 TRP A 24 -10.621 -2.361 6.010 1.00 0.00 C ATOM 381 CH2 TRP A 24 -11.924 -2.355 5.485 1.00 0.00 C ATOM 0 H TRP A 24 -10.427 -7.288 9.842 1.00 0.00 H new ATOM 0 HA TRP A 24 -8.630 -5.319 8.800 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -10.764 -5.349 10.976 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -9.936 -3.891 10.463 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -13.003 -5.626 10.028 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -14.337 -4.862 7.965 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -9.295 -3.120 7.530 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -13.932 -3.121 5.721 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -9.848 -1.784 5.524 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -12.151 -1.780 4.599 1.00 0.00 H new ATOM 392 N ALA A 25 -7.083 -4.642 10.704 1.00 0.00 N ATOM 393 CA ALA A 25 -6.138 -4.281 11.760 1.00 0.00 C ATOM 394 C ALA A 25 -5.718 -2.801 11.727 1.00 0.00 C ATOM 395 O ALA A 25 -5.521 -2.226 10.658 1.00 0.00 O ATOM 396 CB ALA A 25 -4.917 -5.210 11.677 1.00 0.00 C ATOM 0 H ALA A 25 -6.971 -4.089 9.854 1.00 0.00 H new ATOM 0 HA ALA A 25 -6.643 -4.413 12.717 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -4.207 -4.948 12.461 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -5.237 -6.244 11.808 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -4.440 -5.098 10.703 1.00 0.00 H new ATOM 402 N LEU A 26 -5.560 -2.192 12.903 1.00 0.00 N ATOM 403 CA LEU A 26 -5.187 -0.789 13.104 1.00 0.00 C ATOM 404 C LEU A 26 -3.714 -0.721 13.528 1.00 0.00 C ATOM 405 O LEU A 26 -3.348 -1.301 14.547 1.00 0.00 O ATOM 406 CB LEU A 26 -6.130 -0.216 14.192 1.00 0.00 C ATOM 407 CG LEU A 26 -6.354 1.308 14.230 1.00 0.00 C ATOM 408 CD1 LEU A 26 -5.061 2.129 14.318 1.00 0.00 C ATOM 409 CD2 LEU A 26 -7.203 1.773 13.035 1.00 0.00 C ATOM 0 H LEU A 26 -5.695 -2.687 13.785 1.00 0.00 H new ATOM 0 HA LEU A 26 -5.292 -0.201 12.193 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -7.103 -0.693 14.075 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -5.741 -0.520 15.164 1.00 0.00 H new ATOM 0 HG LEU A 26 -6.897 1.497 15.156 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -5.305 3.191 14.340 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.521 1.862 15.227 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.437 1.918 13.450 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -7.345 2.852 13.088 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -6.693 1.519 12.106 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -8.173 1.278 13.063 1.00 0.00 H new ATOM 421 N TYR A 27 -2.869 -0.014 12.776 1.00 0.00 N ATOM 422 CA TYR A 27 -1.445 0.177 13.102 1.00 0.00 C ATOM 423 C TYR A 27 -1.270 1.220 14.223 1.00 0.00 C ATOM 424 O TYR A 27 -1.440 2.418 13.998 1.00 0.00 O ATOM 425 CB TYR A 27 -0.707 0.567 11.810 1.00 0.00 C ATOM 426 CG TYR A 27 0.804 0.399 11.803 1.00 0.00 C ATOM 427 CD1 TYR A 27 1.383 -0.875 11.978 1.00 0.00 C ATOM 428 CD2 TYR A 27 1.634 1.494 11.498 1.00 0.00 C ATOM 429 CE1 TYR A 27 2.771 -1.052 11.830 1.00 0.00 C ATOM 430 CE2 TYR A 27 3.021 1.327 11.338 1.00 0.00 C ATOM 431 CZ TYR A 27 3.590 0.046 11.483 1.00 0.00 C ATOM 432 OH TYR A 27 4.916 -0.140 11.249 1.00 0.00 O ATOM 0 H TYR A 27 -3.152 0.449 11.913 1.00 0.00 H new ATOM 0 HA TYR A 27 -1.014 -0.747 13.487 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -1.118 -0.026 10.993 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -0.933 1.611 11.592 1.00 0.00 H new ATOM 0 HD1 TYR A 27 0.758 -1.719 12.227 1.00 0.00 H new ATOM 0 HD2 TYR A 27 1.199 2.476 11.385 1.00 0.00 H new ATOM 0 HE1 TYR A 27 3.210 -2.027 11.982 1.00 0.00 H new ATOM 0 HE2 TYR A 27 3.647 2.176 11.105 1.00 0.00 H new ATOM 0 HH TYR A 27 5.332 0.718 11.022 1.00 0.00 H new ATOM 442 N ILE A 28 -0.957 0.781 15.449 1.00 0.00 N ATOM 443 CA ILE A 28 -0.875 1.661 16.641 1.00 0.00 C ATOM 444 C ILE A 28 0.542 2.131 16.990 1.00 0.00 C ATOM 445 O ILE A 28 0.693 3.133 17.692 1.00 0.00 O ATOM 446 CB ILE A 28 -1.525 1.001 17.877 1.00 0.00 C ATOM 447 CG1 ILE A 28 -0.930 -0.387 18.198 1.00 0.00 C ATOM 448 CG2 ILE A 28 -3.051 0.943 17.698 1.00 0.00 C ATOM 449 CD1 ILE A 28 -1.147 -0.794 19.659 1.00 0.00 C ATOM 0 H ILE A 28 -0.751 -0.197 15.652 1.00 0.00 H new ATOM 0 HA ILE A 28 -1.435 2.553 16.360 1.00 0.00 H new ATOM 0 HB ILE A 28 -1.297 1.623 18.743 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -1.383 -1.133 17.545 1.00 0.00 H new ATOM 0 HG13 ILE A 28 0.138 -0.380 17.981 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -3.503 0.476 18.573 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -3.443 1.954 17.583 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -3.291 0.358 16.810 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -0.710 -1.777 19.832 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -0.671 -0.065 20.314 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -2.215 -0.830 19.872 1.00 0.00 H new ATOM 461 N GLY A 29 1.574 1.424 16.520 1.00 0.00 N ATOM 462 CA GLY A 29 2.984 1.764 16.718 1.00 0.00 C ATOM 463 C GLY A 29 3.824 1.190 15.591 1.00 0.00 C ATOM 464 O GLY A 29 3.309 0.445 14.756 1.00 0.00 O ATOM 0 H GLY A 29 1.446 0.572 15.974 1.00 0.00 H new ATOM 0 HA2 GLY A 29 3.103 2.847 16.755 1.00 0.00 H new ATOM 0 HA3 GLY A 29 3.329 1.372 17.675 1.00 0.00 H new ATOM 468 N ASP A 30 5.115 1.513 15.562 1.00 0.00 N ATOM 469 CA ASP A 30 6.020 1.018 14.525 1.00 0.00 C ATOM 470 C ASP A 30 6.236 -0.506 14.665 1.00 0.00 C ATOM 471 O ASP A 30 7.065 -0.976 15.450 1.00 0.00 O ATOM 472 CB ASP A 30 7.337 1.807 14.552 1.00 0.00 C ATOM 473 CG ASP A 30 8.285 1.369 13.426 1.00 0.00 C ATOM 474 OD1 ASP A 30 7.869 1.405 12.244 1.00 0.00 O ATOM 475 OD2 ASP A 30 9.451 1.014 13.726 1.00 0.00 O ATOM 0 H ASP A 30 5.561 2.120 16.250 1.00 0.00 H new ATOM 0 HA ASP A 30 5.567 1.178 13.547 1.00 0.00 H new ATOM 0 HB2 ASP A 30 7.125 2.872 14.456 1.00 0.00 H new ATOM 0 HB3 ASP A 30 7.826 1.665 15.516 1.00 0.00 H new ATOM 480 N GLY A 31 5.439 -1.270 13.915 1.00 0.00 N ATOM 481 CA GLY A 31 5.364 -2.732 13.922 1.00 0.00 C ATOM 482 C GLY A 31 4.298 -3.331 14.841 1.00 0.00 C ATOM 483 O GLY A 31 4.216 -4.553 14.932 1.00 0.00 O ATOM 0 H GLY A 31 4.789 -0.859 13.245 1.00 0.00 H new ATOM 0 HA2 GLY A 31 5.176 -3.074 12.904 1.00 0.00 H new ATOM 0 HA3 GLY A 31 6.336 -3.127 14.216 1.00 0.00 H new ATOM 487 N TYR A 32 3.471 -2.522 15.506 1.00 0.00 N ATOM 488 CA TYR A 32 2.422 -2.994 16.424 1.00 0.00 C ATOM 489 C TYR A 32 1.008 -2.714 15.886 1.00 0.00 C ATOM 490 O TYR A 32 0.708 -1.602 15.450 1.00 0.00 O ATOM 491 CB TYR A 32 2.618 -2.348 17.802 1.00 0.00 C ATOM 492 CG TYR A 32 3.841 -2.857 18.536 1.00 0.00 C ATOM 493 CD1 TYR A 32 3.785 -4.092 19.213 1.00 0.00 C ATOM 494 CD2 TYR A 32 5.033 -2.110 18.543 1.00 0.00 C ATOM 495 CE1 TYR A 32 4.914 -4.575 19.902 1.00 0.00 C ATOM 496 CE2 TYR A 32 6.165 -2.585 19.233 1.00 0.00 C ATOM 497 CZ TYR A 32 6.107 -3.820 19.918 1.00 0.00 C ATOM 498 OH TYR A 32 7.197 -4.291 20.580 1.00 0.00 O ATOM 0 H TYR A 32 3.508 -1.506 15.424 1.00 0.00 H new ATOM 0 HA TYR A 32 2.514 -4.077 16.512 1.00 0.00 H new ATOM 0 HB2 TYR A 32 2.700 -1.268 17.680 1.00 0.00 H new ATOM 0 HB3 TYR A 32 1.734 -2.534 18.412 1.00 0.00 H new ATOM 0 HD1 TYR A 32 2.873 -4.670 19.203 1.00 0.00 H new ATOM 0 HD2 TYR A 32 5.080 -1.168 18.017 1.00 0.00 H new ATOM 0 HE1 TYR A 32 4.867 -5.523 20.418 1.00 0.00 H new ATOM 0 HE2 TYR A 32 7.077 -2.006 19.239 1.00 0.00 H new ATOM 0 HH TYR A 32 7.935 -3.652 20.492 1.00 0.00 H new ATOM 508 N VAL A 33 0.122 -3.715 15.957 1.00 0.00 N ATOM 509 CA VAL A 33 -1.251 -3.663 15.429 1.00 0.00 C ATOM 510 C VAL A 33 -2.295 -4.100 16.456 1.00 0.00 C ATOM 511 O VAL A 33 -2.024 -4.915 17.334 1.00 0.00 O ATOM 512 CB VAL A 33 -1.434 -4.524 14.154 1.00 0.00 C ATOM 513 CG1 VAL A 33 -0.741 -3.902 12.938 1.00 0.00 C ATOM 514 CG2 VAL A 33 -0.948 -5.973 14.308 1.00 0.00 C ATOM 0 H VAL A 33 0.344 -4.609 16.395 1.00 0.00 H new ATOM 0 HA VAL A 33 -1.408 -2.613 15.180 1.00 0.00 H new ATOM 0 HB VAL A 33 -2.512 -4.547 13.997 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.895 -4.538 12.067 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.161 -2.915 12.745 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.327 -3.809 13.136 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.109 -6.512 13.374 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.115 -5.977 14.550 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -1.504 -6.460 15.109 1.00 0.00 H new ATOM 524 N ILE A 34 -3.507 -3.570 16.303 1.00 0.00 N ATOM 525 CA ILE A 34 -4.728 -3.992 17.013 1.00 0.00 C ATOM 526 C ILE A 34 -5.619 -4.688 15.986 1.00 0.00 C ATOM 527 O ILE A 34 -5.873 -4.117 14.931 1.00 0.00 O ATOM 528 CB ILE A 34 -5.439 -2.756 17.611 1.00 0.00 C ATOM 529 CG1 ILE A 34 -4.568 -2.076 18.688 1.00 0.00 C ATOM 530 CG2 ILE A 34 -6.844 -3.093 18.150 1.00 0.00 C ATOM 531 CD1 ILE A 34 -4.483 -2.825 20.020 1.00 0.00 C ATOM 0 H ILE A 34 -3.680 -2.802 15.655 1.00 0.00 H new ATOM 0 HA ILE A 34 -4.497 -4.668 17.836 1.00 0.00 H new ATOM 0 HB ILE A 34 -5.578 -2.045 16.797 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -3.560 -1.952 18.293 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -4.962 -1.077 18.875 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -7.302 -2.193 18.559 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -7.462 -3.478 17.339 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -6.762 -3.847 18.933 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.849 -2.269 20.711 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -5.482 -2.926 20.445 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -4.057 -3.815 19.854 1.00 0.00 H new ATOM 543 N HIS A 35 -6.111 -5.892 16.258 1.00 0.00 N ATOM 544 CA HIS A 35 -6.918 -6.655 15.303 1.00 0.00 C ATOM 545 C HIS A 35 -8.014 -7.476 16.001 1.00 0.00 C ATOM 546 O HIS A 35 -7.909 -7.768 17.194 1.00 0.00 O ATOM 547 CB HIS A 35 -5.992 -7.547 14.453 1.00 0.00 C ATOM 548 CG HIS A 35 -5.374 -8.709 15.192 1.00 0.00 C ATOM 549 ND1 HIS A 35 -5.714 -10.037 15.050 1.00 0.00 N ATOM 550 CD2 HIS A 35 -4.358 -8.650 16.110 1.00 0.00 C ATOM 551 CE1 HIS A 35 -4.921 -10.755 15.864 1.00 0.00 C ATOM 552 NE2 HIS A 35 -4.076 -9.954 16.536 1.00 0.00 N ATOM 0 H HIS A 35 -5.963 -6.370 17.147 1.00 0.00 H new ATOM 0 HA HIS A 35 -7.436 -5.955 14.647 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -6.561 -7.934 13.608 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -5.193 -6.929 14.043 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -3.861 -7.753 16.447 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -4.958 -11.830 15.964 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -3.372 -10.238 17.218 1.00 0.00 H new ATOM 560 N LEU A 36 -9.051 -7.864 15.250 1.00 0.00 N ATOM 561 CA LEU A 36 -10.127 -8.728 15.739 1.00 0.00 C ATOM 562 C LEU A 36 -9.795 -10.198 15.447 1.00 0.00 C ATOM 563 O LEU A 36 -9.724 -10.614 14.288 1.00 0.00 O ATOM 564 CB LEU A 36 -11.456 -8.282 15.093 1.00 0.00 C ATOM 565 CG LEU A 36 -12.709 -8.968 15.681 1.00 0.00 C ATOM 566 CD1 LEU A 36 -13.015 -8.468 17.099 1.00 0.00 C ATOM 567 CD2 LEU A 36 -13.924 -8.688 14.787 1.00 0.00 C ATOM 0 H LEU A 36 -9.166 -7.583 14.276 1.00 0.00 H new ATOM 0 HA LEU A 36 -10.230 -8.638 16.820 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -11.559 -7.203 15.208 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -11.413 -8.485 14.023 1.00 0.00 H new ATOM 0 HG LEU A 36 -12.506 -10.038 15.725 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -13.903 -8.973 17.479 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -12.168 -8.682 17.751 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -13.192 -7.393 17.075 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -14.804 -9.174 15.207 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -14.095 -7.613 14.732 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -13.737 -9.078 13.786 1.00 0.00 H new ATOM 579 N ALA A 37 -9.619 -10.990 16.500 1.00 0.00 N ATOM 580 CA ALA A 37 -9.504 -12.448 16.461 1.00 0.00 C ATOM 581 C ALA A 37 -10.906 -13.081 16.255 1.00 0.00 C ATOM 582 O ALA A 37 -11.866 -12.567 16.833 1.00 0.00 O ATOM 583 CB ALA A 37 -8.832 -12.876 17.776 1.00 0.00 C ATOM 0 H ALA A 37 -9.549 -10.618 17.447 1.00 0.00 H new ATOM 0 HA ALA A 37 -8.896 -12.794 15.625 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -8.724 -13.961 17.793 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -7.848 -12.412 17.850 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -9.446 -12.559 18.619 1.00 0.00 H new ATOM 589 N PRO A 38 -11.057 -14.169 15.467 1.00 0.00 N ATOM 590 CA PRO A 38 -12.359 -14.693 15.035 1.00 0.00 C ATOM 591 C PRO A 38 -13.207 -15.328 16.160 1.00 0.00 C ATOM 592 O PRO A 38 -12.644 -15.838 17.132 1.00 0.00 O ATOM 593 CB PRO A 38 -12.037 -15.721 13.941 1.00 0.00 C ATOM 594 CG PRO A 38 -10.633 -16.201 14.304 1.00 0.00 C ATOM 595 CD PRO A 38 -9.980 -14.932 14.850 1.00 0.00 C ATOM 0 HA PRO A 38 -12.981 -13.870 14.683 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -12.754 -16.542 13.939 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -12.063 -15.272 12.948 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -10.656 -16.998 15.048 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -10.100 -16.590 13.436 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -9.204 -15.172 15.577 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -9.504 -14.362 14.052 1.00 0.00 H new ATOM 603 N PRO A 39 -14.552 -15.363 16.006 1.00 0.00 N ATOM 604 CA PRO A 39 -15.483 -15.995 16.947 1.00 0.00 C ATOM 605 C PRO A 39 -15.674 -17.508 16.736 1.00 0.00 C ATOM 606 O PRO A 39 -16.404 -18.130 17.499 1.00 0.00 O ATOM 607 CB PRO A 39 -16.813 -15.263 16.723 1.00 0.00 C ATOM 608 CG PRO A 39 -16.789 -14.953 15.226 1.00 0.00 C ATOM 609 CD PRO A 39 -15.306 -14.697 14.945 1.00 0.00 C ATOM 0 HA PRO A 39 -15.092 -15.913 17.961 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -17.666 -15.885 16.992 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -16.879 -14.355 17.322 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -17.173 -15.786 14.636 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -17.400 -14.083 14.985 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -15.025 -15.088 13.967 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -15.094 -13.628 14.933 1.00 0.00 H new ATOM 842 N SER A 57 -16.551 -16.524 21.150 1.00 0.00 N ATOM 843 CA SER A 57 -16.632 -15.078 20.875 1.00 0.00 C ATOM 844 C SER A 57 -15.346 -14.579 20.193 1.00 0.00 C ATOM 845 O SER A 57 -14.264 -15.141 20.390 1.00 0.00 O ATOM 846 CB SER A 57 -16.807 -14.268 22.169 1.00 0.00 C ATOM 847 OG SER A 57 -17.904 -14.725 22.948 1.00 0.00 O ATOM 0 HA SER A 57 -17.495 -14.934 20.225 1.00 0.00 H new ATOM 0 HB2 SER A 57 -15.893 -14.331 22.760 1.00 0.00 H new ATOM 0 HB3 SER A 57 -16.954 -13.217 21.920 1.00 0.00 H new ATOM 0 HG SER A 57 -17.976 -14.183 23.761 1.00 0.00 H new ATOM 853 N ALA A 58 -15.454 -13.498 19.415 1.00 0.00 N ATOM 854 CA ALA A 58 -14.308 -12.776 18.877 1.00 0.00 C ATOM 855 C ALA A 58 -13.602 -11.991 19.995 1.00 0.00 C ATOM 856 O ALA A 58 -14.205 -11.707 21.034 1.00 0.00 O ATOM 857 CB ALA A 58 -14.809 -11.873 17.739 1.00 0.00 C ATOM 0 H ALA A 58 -16.352 -13.099 19.141 1.00 0.00 H new ATOM 0 HA ALA A 58 -13.564 -13.462 18.472 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -13.970 -11.320 17.317 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -15.266 -12.486 16.962 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -15.547 -11.172 18.129 1.00 0.00 H new ATOM 863 N GLU A 59 -12.340 -11.616 19.789 1.00 0.00 N ATOM 864 CA GLU A 59 -11.544 -10.854 20.760 1.00 0.00 C ATOM 865 C GLU A 59 -10.769 -9.747 20.045 1.00 0.00 C ATOM 866 O GLU A 59 -10.083 -10.017 19.064 1.00 0.00 O ATOM 867 CB GLU A 59 -10.574 -11.790 21.513 1.00 0.00 C ATOM 868 CG GLU A 59 -9.803 -11.065 22.622 1.00 0.00 C ATOM 869 CD GLU A 59 -8.926 -12.042 23.418 1.00 0.00 C ATOM 870 OE1 GLU A 59 -8.008 -12.665 22.829 1.00 0.00 O ATOM 871 OE2 GLU A 59 -9.153 -12.177 24.644 1.00 0.00 O ATOM 0 H GLU A 59 -11.832 -11.834 18.932 1.00 0.00 H new ATOM 0 HA GLU A 59 -12.217 -10.399 21.487 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -11.135 -12.618 21.946 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -9.866 -12.221 20.805 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -9.179 -10.285 22.185 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -10.505 -10.572 23.294 1.00 0.00 H new ATOM 878 N VAL A 60 -10.848 -8.514 20.540 1.00 0.00 N ATOM 879 CA VAL A 60 -9.992 -7.411 20.084 1.00 0.00 C ATOM 880 C VAL A 60 -8.676 -7.503 20.846 1.00 0.00 C ATOM 881 O VAL A 60 -8.681 -7.491 22.075 1.00 0.00 O ATOM 882 CB VAL A 60 -10.656 -6.041 20.313 1.00 0.00 C ATOM 883 CG1 VAL A 60 -9.681 -4.903 19.965 1.00 0.00 C ATOM 884 CG2 VAL A 60 -11.932 -5.922 19.468 1.00 0.00 C ATOM 0 H VAL A 60 -11.508 -8.247 21.271 1.00 0.00 H new ATOM 0 HA VAL A 60 -9.824 -7.499 19.011 1.00 0.00 H new ATOM 0 HB VAL A 60 -10.922 -5.958 21.367 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -10.168 -3.942 20.133 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -8.796 -4.976 20.597 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -9.387 -4.983 18.918 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -12.392 -4.949 19.639 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -11.680 -6.024 18.412 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -12.631 -6.709 19.752 1.00 0.00 H new ATOM 894 N LYS A 61 -7.552 -7.599 20.130 1.00 0.00 N ATOM 895 CA LYS A 61 -6.255 -7.909 20.745 1.00 0.00 C ATOM 896 C LYS A 61 -5.049 -7.206 20.084 1.00 0.00 C ATOM 897 O LYS A 61 -5.087 -6.830 18.908 1.00 0.00 O ATOM 898 CB LYS A 61 -6.129 -9.447 20.867 1.00 0.00 C ATOM 899 CG LYS A 61 -5.730 -10.207 19.595 1.00 0.00 C ATOM 900 CD LYS A 61 -5.980 -11.715 19.788 1.00 0.00 C ATOM 901 CE LYS A 61 -5.117 -12.341 20.900 1.00 0.00 C ATOM 902 NZ LYS A 61 -5.731 -13.587 21.434 1.00 0.00 N ATOM 0 H LYS A 61 -7.513 -7.466 19.119 1.00 0.00 H new ATOM 0 HA LYS A 61 -6.228 -7.482 21.747 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -5.394 -9.668 21.641 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -7.085 -9.841 21.213 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -6.305 -9.840 18.745 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -4.679 -10.029 19.369 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -7.033 -11.874 20.022 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -5.781 -12.232 18.849 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -4.124 -12.563 20.509 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -4.988 -11.622 21.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -5.039 -14.088 22.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -6.566 -13.345 22.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -6.017 -14.199 20.644 1.00 0.00 H new ATOM 916 N ARG A 62 -3.989 -6.992 20.877 1.00 0.00 N ATOM 917 CA ARG A 62 -2.732 -6.327 20.489 1.00 0.00 C ATOM 918 C ARG A 62 -1.689 -7.363 20.051 1.00 0.00 C ATOM 919 O ARG A 62 -1.540 -8.397 20.703 1.00 0.00 O ATOM 920 CB ARG A 62 -2.222 -5.490 21.681 1.00 0.00 C ATOM 921 CG ARG A 62 -1.020 -4.599 21.320 1.00 0.00 C ATOM 922 CD ARG A 62 -0.598 -3.733 22.515 1.00 0.00 C ATOM 923 NE ARG A 62 0.533 -2.847 22.174 1.00 0.00 N ATOM 924 CZ ARG A 62 1.827 -3.154 22.151 1.00 0.00 C ATOM 925 NH1 ARG A 62 2.271 -4.365 22.422 1.00 0.00 N ATOM 926 NH2 ARG A 62 2.706 -2.224 21.849 1.00 0.00 N ATOM 0 H ARG A 62 -3.982 -7.291 21.852 1.00 0.00 H new ATOM 0 HA ARG A 62 -2.910 -5.666 19.641 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -3.033 -4.863 22.051 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -1.940 -6.159 22.494 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -0.183 -5.222 21.004 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -1.278 -3.959 20.476 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -1.445 -3.132 22.846 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -0.318 -4.376 23.350 1.00 0.00 H new ATOM 0 HE ARG A 62 0.294 -1.887 21.927 1.00 0.00 H new ATOM 0 HH11 ARG A 62 1.614 -5.108 22.660 1.00 0.00 H new ATOM 0 HH12 ARG A 62 3.272 -4.560 22.393 1.00 0.00 H new ATOM 0 HH21 ARG A 62 2.393 -1.277 21.635 1.00 0.00 H new ATOM 0 HH22 ARG A 62 3.701 -2.450 21.829 1.00 0.00 H new ATOM 940 N GLU A 63 -0.956 -7.079 18.972 1.00 0.00 N ATOM 941 CA GLU A 63 -0.038 -8.036 18.341 1.00 0.00 C ATOM 942 C GLU A 63 0.970 -7.337 17.412 1.00 0.00 C ATOM 943 O GLU A 63 0.778 -6.185 17.017 1.00 0.00 O ATOM 944 CB GLU A 63 -0.880 -9.108 17.610 1.00 0.00 C ATOM 945 CG GLU A 63 -0.127 -10.347 17.124 1.00 0.00 C ATOM 946 CD GLU A 63 0.730 -10.973 18.236 1.00 0.00 C ATOM 947 OE1 GLU A 63 0.187 -11.747 19.062 1.00 0.00 O ATOM 948 OE2 GLU A 63 1.939 -10.652 18.313 1.00 0.00 O ATOM 0 H GLU A 63 -0.982 -6.172 18.506 1.00 0.00 H new ATOM 0 HA GLU A 63 0.569 -8.523 19.104 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -1.676 -9.433 18.280 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.358 -8.639 16.750 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -0.841 -11.085 16.758 1.00 0.00 H new ATOM 0 HG3 GLU A 63 0.511 -10.077 16.283 1.00 0.00 H new ATOM 955 N ARG A 64 2.053 -8.035 17.061 1.00 0.00 N ATOM 956 CA ARG A 64 3.051 -7.601 16.081 1.00 0.00 C ATOM 957 C ARG A 64 2.542 -7.755 14.642 1.00 0.00 C ATOM 958 O ARG A 64 1.935 -8.770 14.289 1.00 0.00 O ATOM 959 CB ARG A 64 4.337 -8.421 16.285 1.00 0.00 C ATOM 960 CG ARG A 64 5.233 -7.911 17.426 1.00 0.00 C ATOM 961 CD ARG A 64 5.795 -6.492 17.239 1.00 0.00 C ATOM 962 NE ARG A 64 6.541 -6.329 15.976 1.00 0.00 N ATOM 963 CZ ARG A 64 7.364 -5.338 15.665 1.00 0.00 C ATOM 964 NH1 ARG A 64 7.583 -4.318 16.472 1.00 0.00 N ATOM 965 NH2 ARG A 64 7.973 -5.377 14.502 1.00 0.00 N ATOM 0 H ARG A 64 2.266 -8.947 17.464 1.00 0.00 H new ATOM 0 HA ARG A 64 3.253 -6.541 16.236 1.00 0.00 H new ATOM 0 HB2 ARG A 64 4.066 -9.457 16.486 1.00 0.00 H new ATOM 0 HB3 ARG A 64 4.910 -8.415 15.358 1.00 0.00 H new ATOM 0 HG2 ARG A 64 4.661 -7.938 18.354 1.00 0.00 H new ATOM 0 HG3 ARG A 64 6.068 -8.601 17.546 1.00 0.00 H new ATOM 0 HD2 ARG A 64 4.974 -5.776 17.265 1.00 0.00 H new ATOM 0 HD3 ARG A 64 6.452 -6.254 18.076 1.00 0.00 H new ATOM 0 HE ARG A 64 6.410 -7.053 15.270 1.00 0.00 H new ATOM 0 HH11 ARG A 64 7.111 -4.271 17.375 1.00 0.00 H new ATOM 0 HH12 ARG A 64 8.225 -3.576 16.193 1.00 0.00 H new ATOM 0 HH21 ARG A 64 7.807 -6.156 13.865 1.00 0.00 H new ATOM 0 HH22 ARG A 64 8.612 -4.628 14.236 1.00 0.00 H new ATOM 979 N LEU A 65 2.849 -6.779 13.778 1.00 0.00 N ATOM 980 CA LEU A 65 2.452 -6.758 12.364 1.00 0.00 C ATOM 981 C LEU A 65 2.856 -8.059 11.664 1.00 0.00 C ATOM 982 O LEU A 65 1.993 -8.750 11.133 1.00 0.00 O ATOM 983 CB LEU A 65 3.077 -5.516 11.689 1.00 0.00 C ATOM 984 CG LEU A 65 2.774 -5.389 10.178 1.00 0.00 C ATOM 985 CD1 LEU A 65 1.290 -5.092 9.914 1.00 0.00 C ATOM 986 CD2 LEU A 65 3.640 -4.280 9.563 1.00 0.00 C ATOM 0 H LEU A 65 3.394 -5.961 14.050 1.00 0.00 H new ATOM 0 HA LEU A 65 1.367 -6.688 12.284 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.715 -4.622 12.196 1.00 0.00 H new ATOM 0 HB3 LEU A 65 4.158 -5.547 11.829 1.00 0.00 H new ATOM 0 HG LEU A 65 3.011 -6.346 9.713 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.121 -5.011 8.840 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.680 -5.900 10.317 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.015 -4.154 10.397 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.422 -4.196 8.498 1.00 0.00 H new ATOM 0 HD22 LEU A 65 3.420 -3.332 10.054 1.00 0.00 H new ATOM 0 HD23 LEU A 65 4.694 -4.524 9.699 1.00 0.00 H new ATOM 998 N GLU A 66 4.130 -8.443 11.735 1.00 0.00 N ATOM 999 CA GLU A 66 4.648 -9.659 11.099 1.00 0.00 C ATOM 1000 C GLU A 66 4.023 -10.959 11.647 1.00 0.00 C ATOM 1001 O GLU A 66 3.953 -11.946 10.918 1.00 0.00 O ATOM 1002 CB GLU A 66 6.188 -9.704 11.148 1.00 0.00 C ATOM 1003 CG GLU A 66 6.830 -9.647 12.545 1.00 0.00 C ATOM 1004 CD GLU A 66 7.087 -8.208 13.011 1.00 0.00 C ATOM 1005 OE1 GLU A 66 6.127 -7.532 13.440 1.00 0.00 O ATOM 1006 OE2 GLU A 66 8.244 -7.737 12.973 1.00 0.00 O ATOM 0 H GLU A 66 4.841 -7.915 12.241 1.00 0.00 H new ATOM 0 HA GLU A 66 4.341 -9.605 10.054 1.00 0.00 H new ATOM 0 HB2 GLU A 66 6.519 -10.619 10.657 1.00 0.00 H new ATOM 0 HB3 GLU A 66 6.573 -8.870 10.561 1.00 0.00 H new ATOM 0 HG2 GLU A 66 6.179 -10.148 13.262 1.00 0.00 H new ATOM 0 HG3 GLU A 66 7.772 -10.196 12.532 1.00 0.00 H new ATOM 1013 N ASP A 67 3.497 -10.965 12.880 1.00 0.00 N ATOM 1014 CA ASP A 67 2.784 -12.118 13.448 1.00 0.00 C ATOM 1015 C ASP A 67 1.329 -12.175 12.954 1.00 0.00 C ATOM 1016 O ASP A 67 0.829 -13.253 12.631 1.00 0.00 O ATOM 1017 CB ASP A 67 2.843 -12.061 14.980 1.00 0.00 C ATOM 1018 CG ASP A 67 2.222 -13.319 15.610 1.00 0.00 C ATOM 1019 OD1 ASP A 67 0.992 -13.333 15.856 1.00 0.00 O ATOM 1020 OD2 ASP A 67 2.972 -14.297 15.842 1.00 0.00 O ATOM 0 H ASP A 67 3.554 -10.168 13.514 1.00 0.00 H new ATOM 0 HA ASP A 67 3.276 -13.030 13.110 1.00 0.00 H new ATOM 0 HB2 ASP A 67 3.880 -11.964 15.303 1.00 0.00 H new ATOM 0 HB3 ASP A 67 2.315 -11.176 15.334 1.00 0.00 H new ATOM 1025 N VAL A 68 0.656 -11.021 12.835 1.00 0.00 N ATOM 1026 CA VAL A 68 -0.668 -10.943 12.188 1.00 0.00 C ATOM 1027 C VAL A 68 -0.578 -11.256 10.690 1.00 0.00 C ATOM 1028 O VAL A 68 -1.418 -11.981 10.166 1.00 0.00 O ATOM 1029 CB VAL A 68 -1.424 -9.626 12.470 1.00 0.00 C ATOM 1030 CG1 VAL A 68 -2.869 -9.686 11.948 1.00 0.00 C ATOM 1031 CG2 VAL A 68 -1.499 -9.371 13.981 1.00 0.00 C ATOM 0 H VAL A 68 1.005 -10.126 13.178 1.00 0.00 H new ATOM 0 HA VAL A 68 -1.276 -11.719 12.652 1.00 0.00 H new ATOM 0 HB VAL A 68 -0.877 -8.831 11.963 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -3.373 -8.744 12.163 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -2.860 -9.856 10.871 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -3.400 -10.501 12.439 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -2.034 -8.440 14.167 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -2.026 -10.195 14.463 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -0.491 -9.297 14.388 1.00 0.00 H new ATOM 1041 N VAL A 69 0.464 -10.781 10.015 1.00 0.00 N ATOM 1042 CA VAL A 69 0.654 -10.958 8.571 1.00 0.00 C ATOM 1043 C VAL A 69 1.098 -12.383 8.211 1.00 0.00 C ATOM 1044 O VAL A 69 0.545 -12.964 7.280 1.00 0.00 O ATOM 1045 CB VAL A 69 1.619 -9.873 8.056 1.00 0.00 C ATOM 1046 CG1 VAL A 69 2.085 -10.109 6.618 1.00 0.00 C ATOM 1047 CG2 VAL A 69 0.905 -8.511 8.154 1.00 0.00 C ATOM 0 H VAL A 69 1.215 -10.253 10.459 1.00 0.00 H new ATOM 0 HA VAL A 69 -0.303 -10.832 8.065 1.00 0.00 H new ATOM 0 HB VAL A 69 2.516 -9.902 8.675 1.00 0.00 H new ATOM 0 HG11 VAL A 69 2.762 -9.309 6.319 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.604 -11.065 6.556 1.00 0.00 H new ATOM 0 HG13 VAL A 69 1.221 -10.121 5.953 1.00 0.00 H new ATOM 0 HG21 VAL A 69 1.569 -7.725 7.794 1.00 0.00 H new ATOM 0 HG22 VAL A 69 0.001 -8.529 7.545 1.00 0.00 H new ATOM 0 HG23 VAL A 69 0.639 -8.314 9.192 1.00 0.00 H new ATOM 1057 N GLY A 70 2.069 -12.967 8.927 1.00 0.00 N ATOM 1058 CA GLY A 70 2.463 -14.380 8.773 1.00 0.00 C ATOM 1059 C GLY A 70 3.018 -14.753 7.391 1.00 0.00 C ATOM 1060 O GLY A 70 2.951 -15.919 7.002 1.00 0.00 O ATOM 0 H GLY A 70 2.609 -12.471 9.636 1.00 0.00 H new ATOM 0 HA2 GLY A 70 3.216 -14.616 9.526 1.00 0.00 H new ATOM 0 HA3 GLY A 70 1.597 -15.008 8.981 1.00 0.00 H new ATOM 1064 N GLY A 71 3.499 -13.770 6.618 1.00 0.00 N ATOM 1065 CA GLY A 71 3.949 -13.925 5.223 1.00 0.00 C ATOM 1066 C GLY A 71 2.826 -13.896 4.174 1.00 0.00 C ATOM 1067 O GLY A 71 3.116 -13.999 2.981 1.00 0.00 O ATOM 0 H GLY A 71 3.590 -12.812 6.956 1.00 0.00 H new ATOM 0 HA2 GLY A 71 4.660 -13.130 4.995 1.00 0.00 H new ATOM 0 HA3 GLY A 71 4.487 -14.869 5.133 1.00 0.00 H new ATOM 1071 N CYS A 72 1.561 -13.760 4.593 1.00 0.00 N ATOM 1072 CA CYS A 72 0.386 -13.663 3.711 1.00 0.00 C ATOM 1073 C CYS A 72 0.176 -12.227 3.182 1.00 0.00 C ATOM 1074 O CYS A 72 0.834 -11.284 3.622 1.00 0.00 O ATOM 1075 CB CYS A 72 -0.846 -14.176 4.476 1.00 0.00 C ATOM 1076 SG CYS A 72 -0.632 -15.931 4.901 1.00 0.00 S ATOM 0 H CYS A 72 1.318 -13.713 5.582 1.00 0.00 H new ATOM 0 HA CYS A 72 0.548 -14.283 2.829 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -0.991 -13.589 5.383 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -1.741 -14.048 3.867 1.00 0.00 H new ATOM 0 HG CYS A 72 -1.678 -16.351 5.549 1.00 0.00 H new ATOM 1082 N CYS A 73 -0.752 -12.052 2.238 1.00 0.00 N ATOM 1083 CA CYS A 73 -1.042 -10.753 1.615 1.00 0.00 C ATOM 1084 C CYS A 73 -1.732 -9.762 2.574 1.00 0.00 C ATOM 1085 O CYS A 73 -2.556 -10.143 3.405 1.00 0.00 O ATOM 1086 CB CYS A 73 -1.874 -10.987 0.340 1.00 0.00 C ATOM 1087 SG CYS A 73 -0.929 -11.999 -0.844 1.00 0.00 S ATOM 0 H CYS A 73 -1.329 -12.813 1.880 1.00 0.00 H new ATOM 0 HA CYS A 73 -0.095 -10.282 1.354 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -2.809 -11.487 0.593 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -2.136 -10.031 -0.114 1.00 0.00 H new ATOM 0 HG CYS A 73 -1.641 -12.192 -1.915 1.00 0.00 H new ATOM 1093 N TYR A 74 -1.454 -8.469 2.394 1.00 0.00 N ATOM 1094 CA TYR A 74 -2.090 -7.359 3.122 1.00 0.00 C ATOM 1095 C TYR A 74 -1.975 -6.014 2.387 1.00 0.00 C ATOM 1096 O TYR A 74 -1.135 -5.856 1.503 1.00 0.00 O ATOM 1097 CB TYR A 74 -1.527 -7.251 4.554 1.00 0.00 C ATOM 1098 CG TYR A 74 -0.111 -6.721 4.660 1.00 0.00 C ATOM 1099 CD1 TYR A 74 0.981 -7.593 4.491 1.00 0.00 C ATOM 1100 CD2 TYR A 74 0.118 -5.357 4.937 1.00 0.00 C ATOM 1101 CE1 TYR A 74 2.296 -7.109 4.605 1.00 0.00 C ATOM 1102 CE2 TYR A 74 1.433 -4.864 5.033 1.00 0.00 C ATOM 1103 CZ TYR A 74 2.526 -5.742 4.866 1.00 0.00 C ATOM 1104 OH TYR A 74 3.801 -5.274 4.923 1.00 0.00 O ATOM 0 H TYR A 74 -0.759 -8.151 1.718 1.00 0.00 H new ATOM 0 HA TYR A 74 -3.153 -7.592 3.176 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -2.183 -6.604 5.136 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -1.562 -8.238 5.015 1.00 0.00 H new ATOM 0 HD1 TYR A 74 0.808 -8.637 4.273 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -0.719 -4.688 5.076 1.00 0.00 H new ATOM 0 HE1 TYR A 74 3.131 -7.785 4.493 1.00 0.00 H new ATOM 0 HE2 TYR A 74 1.605 -3.817 5.234 1.00 0.00 H new ATOM 0 HH TYR A 74 3.788 -4.312 5.110 1.00 0.00 H new ATOM 1114 N ARG A 75 -2.796 -5.032 2.782 1.00 0.00 N ATOM 1115 CA ARG A 75 -2.836 -3.668 2.206 1.00 0.00 C ATOM 1116 C ARG A 75 -3.595 -2.681 3.098 1.00 0.00 C ATOM 1117 O ARG A 75 -4.457 -3.111 3.859 1.00 0.00 O ATOM 1118 CB ARG A 75 -3.356 -3.658 0.744 1.00 0.00 C ATOM 1119 CG ARG A 75 -4.882 -3.767 0.562 1.00 0.00 C ATOM 1120 CD ARG A 75 -5.482 -5.049 1.144 1.00 0.00 C ATOM 1121 NE ARG A 75 -5.098 -6.235 0.356 1.00 0.00 N ATOM 1122 CZ ARG A 75 -5.227 -7.511 0.706 1.00 0.00 C ATOM 1123 NH1 ARG A 75 -5.532 -7.886 1.935 1.00 0.00 N ATOM 1124 NH2 ARG A 75 -5.041 -8.444 -0.201 1.00 0.00 N ATOM 0 H ARG A 75 -3.474 -5.162 3.533 1.00 0.00 H new ATOM 0 HA ARG A 75 -1.803 -3.321 2.169 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -3.019 -2.737 0.267 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -2.888 -4.484 0.209 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -5.357 -2.907 1.034 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -5.116 -3.717 -0.501 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -5.148 -5.172 2.174 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -6.568 -4.964 1.169 1.00 0.00 H new ATOM 0 HE ARG A 75 -4.687 -6.056 -0.560 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -5.679 -7.184 2.661 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -5.621 -8.877 2.159 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -4.801 -8.184 -1.158 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -5.136 -9.427 0.052 1.00 0.00 H new ATOM 1138 N VAL A 76 -3.317 -1.380 2.994 1.00 0.00 N ATOM 1139 CA VAL A 76 -4.132 -0.329 3.641 1.00 0.00 C ATOM 1140 C VAL A 76 -5.332 0.009 2.758 1.00 0.00 C ATOM 1141 O VAL A 76 -5.205 0.150 1.543 1.00 0.00 O ATOM 1142 CB VAL A 76 -3.303 0.929 4.003 1.00 0.00 C ATOM 1143 CG1 VAL A 76 -4.140 2.188 4.306 1.00 0.00 C ATOM 1144 CG2 VAL A 76 -2.438 0.621 5.236 1.00 0.00 C ATOM 0 H VAL A 76 -2.525 -1.018 2.463 1.00 0.00 H new ATOM 0 HA VAL A 76 -4.497 -0.721 4.590 1.00 0.00 H new ATOM 0 HB VAL A 76 -2.707 1.155 3.119 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -3.475 3.017 4.549 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -4.738 2.446 3.432 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -4.799 1.992 5.152 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -1.851 1.501 5.498 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -3.081 0.352 6.074 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -1.767 -0.209 5.012 1.00 0.00 H new ATOM 1154 N ASN A 77 -6.493 0.153 3.394 1.00 0.00 N ATOM 1155 CA ASN A 77 -7.778 0.498 2.783 1.00 0.00 C ATOM 1156 C ASN A 77 -8.730 1.035 3.860 1.00 0.00 C ATOM 1157 O ASN A 77 -8.799 0.482 4.960 1.00 0.00 O ATOM 1158 CB ASN A 77 -8.367 -0.731 2.072 1.00 0.00 C ATOM 1159 CG ASN A 77 -9.687 -0.417 1.368 1.00 0.00 C ATOM 1160 OD1 ASN A 77 -9.911 0.684 0.880 1.00 0.00 O ATOM 1161 ND2 ASN A 77 -10.601 -1.366 1.313 1.00 0.00 N ATOM 0 H ASN A 77 -6.568 0.026 4.403 1.00 0.00 H new ATOM 0 HA ASN A 77 -7.635 1.278 2.035 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -7.649 -1.105 1.342 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -8.526 -1.527 2.799 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -11.498 -1.185 0.863 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -10.411 -2.282 1.720 1.00 0.00 H new ATOM 1168 N ASN A 78 -9.463 2.112 3.559 1.00 0.00 N ATOM 1169 CA ASN A 78 -10.234 2.846 4.564 1.00 0.00 C ATOM 1170 C ASN A 78 -11.440 3.602 3.966 1.00 0.00 C ATOM 1171 O ASN A 78 -11.623 4.797 4.173 1.00 0.00 O ATOM 1172 CB ASN A 78 -9.254 3.724 5.378 1.00 0.00 C ATOM 1173 CG ASN A 78 -9.711 3.952 6.810 1.00 0.00 C ATOM 1174 OD1 ASN A 78 -10.852 3.693 7.173 1.00 0.00 O ATOM 1175 ND2 ASN A 78 -8.823 4.416 7.668 1.00 0.00 N ATOM 0 H ASN A 78 -9.538 2.497 2.617 1.00 0.00 H new ATOM 0 HA ASN A 78 -10.710 2.148 5.252 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -8.272 3.251 5.387 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -9.139 4.687 4.881 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -9.084 4.562 8.643 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -7.875 4.629 7.356 1.00 0.00 H new ATOM 1182 N SER A 79 -12.283 2.899 3.205 1.00 0.00 N ATOM 1183 CA SER A 79 -13.405 3.464 2.423 1.00 0.00 C ATOM 1184 C SER A 79 -14.355 4.396 3.203 1.00 0.00 C ATOM 1185 O SER A 79 -14.829 5.390 2.652 1.00 0.00 O ATOM 1186 CB SER A 79 -14.220 2.319 1.801 1.00 0.00 C ATOM 1187 OG SER A 79 -13.384 1.405 1.101 1.00 0.00 O ATOM 0 H SER A 79 -12.208 1.886 3.108 1.00 0.00 H new ATOM 0 HA SER A 79 -12.938 4.093 1.665 1.00 0.00 H new ATOM 0 HB2 SER A 79 -14.763 1.790 2.584 1.00 0.00 H new ATOM 0 HB3 SER A 79 -14.964 2.729 1.118 1.00 0.00 H new ATOM 0 HG SER A 79 -13.932 0.688 0.719 1.00 0.00 H new ATOM 1193 N LEU A 80 -14.611 4.110 4.487 1.00 0.00 N ATOM 1194 CA LEU A 80 -15.457 4.942 5.358 1.00 0.00 C ATOM 1195 C LEU A 80 -14.756 6.252 5.748 1.00 0.00 C ATOM 1196 O LEU A 80 -15.371 7.314 5.756 1.00 0.00 O ATOM 1197 CB LEU A 80 -15.837 4.117 6.603 1.00 0.00 C ATOM 1198 CG LEU A 80 -16.878 4.772 7.526 1.00 0.00 C ATOM 1199 CD1 LEU A 80 -18.247 4.808 6.837 1.00 0.00 C ATOM 1200 CD2 LEU A 80 -16.988 3.990 8.843 1.00 0.00 C ATOM 0 H LEU A 80 -14.233 3.287 4.956 1.00 0.00 H new ATOM 0 HA LEU A 80 -16.360 5.227 4.817 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -16.221 3.151 6.276 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -14.933 3.922 7.181 1.00 0.00 H new ATOM 0 HG LEU A 80 -16.556 5.791 7.741 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -18.976 5.274 7.500 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -18.175 5.384 5.915 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -18.565 3.791 6.606 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -17.728 4.464 9.487 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -17.293 2.965 8.633 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -16.020 3.985 9.345 1.00 0.00 H new ATOM 1212 N ASP A 81 -13.455 6.194 6.027 1.00 0.00 N ATOM 1213 CA ASP A 81 -12.626 7.365 6.311 1.00 0.00 C ATOM 1214 C ASP A 81 -12.506 8.278 5.084 1.00 0.00 C ATOM 1215 O ASP A 81 -12.636 9.498 5.192 1.00 0.00 O ATOM 1216 CB ASP A 81 -11.254 6.879 6.765 1.00 0.00 C ATOM 1217 CG ASP A 81 -10.343 8.021 7.189 1.00 0.00 C ATOM 1218 OD1 ASP A 81 -10.541 8.508 8.324 1.00 0.00 O ATOM 1219 OD2 ASP A 81 -9.378 8.339 6.459 1.00 0.00 O ATOM 0 H ASP A 81 -12.938 5.316 6.063 1.00 0.00 H new ATOM 0 HA ASP A 81 -13.091 7.958 7.098 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -11.375 6.186 7.598 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -10.782 6.324 5.954 1.00 0.00 H new ATOM 1224 N HIS A 82 -12.353 7.667 3.906 1.00 0.00 N ATOM 1225 CA HIS A 82 -12.359 8.353 2.611 1.00 0.00 C ATOM 1226 C HIS A 82 -13.705 9.059 2.310 1.00 0.00 C ATOM 1227 O HIS A 82 -13.758 9.923 1.431 1.00 0.00 O ATOM 1228 CB HIS A 82 -12.061 7.327 1.500 1.00 0.00 C ATOM 1229 CG HIS A 82 -10.742 6.586 1.572 1.00 0.00 C ATOM 1230 ND1 HIS A 82 -10.354 5.582 0.710 1.00 0.00 N ATOM 1231 CD2 HIS A 82 -9.705 6.771 2.455 1.00 0.00 C ATOM 1232 CE1 HIS A 82 -9.122 5.176 1.061 1.00 0.00 C ATOM 1233 NE2 HIS A 82 -8.681 5.870 2.126 1.00 0.00 N ATOM 0 H HIS A 82 -12.219 6.659 3.824 1.00 0.00 H new ATOM 0 HA HIS A 82 -11.593 9.127 2.647 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -12.863 6.589 1.499 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -12.104 7.845 0.542 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -9.682 7.487 3.263 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -8.563 4.400 0.558 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -7.784 5.763 2.599 1.00 0.00 H new ATOM 1241 N GLU A 83 -14.789 8.695 3.010 1.00 0.00 N ATOM 1242 CA GLU A 83 -16.142 9.178 2.733 1.00 0.00 C ATOM 1243 C GLU A 83 -16.420 10.587 3.295 1.00 0.00 C ATOM 1244 O GLU A 83 -17.197 11.333 2.692 1.00 0.00 O ATOM 1245 CB GLU A 83 -17.166 8.157 3.258 1.00 0.00 C ATOM 1246 CG GLU A 83 -18.542 8.250 2.588 1.00 0.00 C ATOM 1247 CD GLU A 83 -18.506 7.827 1.111 1.00 0.00 C ATOM 1248 OE1 GLU A 83 -18.545 6.605 0.827 1.00 0.00 O ATOM 1249 OE2 GLU A 83 -18.469 8.709 0.219 1.00 0.00 O ATOM 0 H GLU A 83 -14.746 8.046 3.796 1.00 0.00 H new ATOM 0 HA GLU A 83 -16.237 9.275 1.652 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -16.769 7.152 3.111 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -17.286 8.298 4.332 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -19.248 7.618 3.127 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -18.910 9.273 2.661 1.00 0.00 H new ATOM 1256 N TYR A 84 -15.789 10.975 4.418 1.00 0.00 N ATOM 1257 CA TYR A 84 -16.116 12.249 5.103 1.00 0.00 C ATOM 1258 C TYR A 84 -14.954 13.047 5.736 1.00 0.00 C ATOM 1259 O TYR A 84 -15.044 14.274 5.822 1.00 0.00 O ATOM 1260 CB TYR A 84 -17.172 12.027 6.217 1.00 0.00 C ATOM 1261 CG TYR A 84 -17.972 10.735 6.228 1.00 0.00 C ATOM 1262 CD1 TYR A 84 -19.166 10.624 5.490 1.00 0.00 C ATOM 1263 CD2 TYR A 84 -17.547 9.666 7.040 1.00 0.00 C ATOM 1264 CE1 TYR A 84 -19.929 9.441 5.557 1.00 0.00 C ATOM 1265 CE2 TYR A 84 -18.305 8.483 7.113 1.00 0.00 C ATOM 1266 CZ TYR A 84 -19.498 8.365 6.365 1.00 0.00 C ATOM 1267 OH TYR A 84 -20.226 7.216 6.423 1.00 0.00 O ATOM 0 H TYR A 84 -15.054 10.432 4.872 1.00 0.00 H new ATOM 0 HA TYR A 84 -16.480 12.855 4.273 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -16.660 12.105 7.176 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -17.882 12.853 6.167 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -19.497 11.446 4.872 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -16.634 9.755 7.610 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -20.844 9.357 4.990 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -17.976 7.667 7.739 1.00 0.00 H new ATOM 0 HH TYR A 84 -20.693 7.081 5.572 1.00 0.00 H new ATOM 1277 N GLN A 85 -13.933 12.383 6.289 1.00 0.00 N ATOM 1278 CA GLN A 85 -13.333 12.819 7.566 1.00 0.00 C ATOM 1279 C GLN A 85 -11.795 13.024 7.537 1.00 0.00 C ATOM 1280 O GLN A 85 -11.105 12.341 6.776 1.00 0.00 O ATOM 1281 CB GLN A 85 -13.741 11.797 8.649 1.00 0.00 C ATOM 1282 CG GLN A 85 -13.452 10.327 8.285 1.00 0.00 C ATOM 1283 CD GLN A 85 -13.798 9.340 9.403 1.00 0.00 C ATOM 1284 OE1 GLN A 85 -14.932 9.225 9.843 1.00 0.00 O ATOM 1285 NE2 GLN A 85 -12.844 8.579 9.893 1.00 0.00 N ATOM 0 H GLN A 85 -13.505 11.551 5.882 1.00 0.00 H new ATOM 0 HA GLN A 85 -13.720 13.814 7.786 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -13.217 12.038 9.574 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -14.807 11.905 8.849 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -14.019 10.064 7.392 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -12.396 10.224 8.035 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -11.892 8.662 9.537 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -13.056 7.906 10.629 1.00 0.00 H new ATOM 1294 N PRO A 86 -11.244 13.925 8.390 1.00 0.00 N ATOM 1295 CA PRO A 86 -9.802 14.184 8.495 1.00 0.00 C ATOM 1296 C PRO A 86 -9.046 13.231 9.435 1.00 0.00 C ATOM 1297 O PRO A 86 -7.835 13.092 9.274 1.00 0.00 O ATOM 1298 CB PRO A 86 -9.691 15.607 9.045 1.00 0.00 C ATOM 1299 CG PRO A 86 -10.925 15.733 9.936 1.00 0.00 C ATOM 1300 CD PRO A 86 -11.973 14.907 9.192 1.00 0.00 C ATOM 0 HA PRO A 86 -9.347 14.038 7.515 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -8.770 15.750 9.610 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -9.693 16.349 8.246 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -10.741 15.344 10.937 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -11.236 16.771 10.050 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -12.644 14.412 9.893 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -12.589 15.544 8.557 1.00 0.00 H new ATOM 1308 N ARG A 87 -9.737 12.618 10.415 1.00 0.00 N ATOM 1309 CA ARG A 87 -9.225 11.645 11.395 1.00 0.00 C ATOM 1310 C ARG A 87 -8.205 12.203 12.429 1.00 0.00 C ATOM 1311 O ARG A 87 -7.047 12.447 12.082 1.00 0.00 O ATOM 1312 CB ARG A 87 -8.712 10.409 10.642 1.00 0.00 C ATOM 1313 CG ARG A 87 -8.177 9.303 11.564 1.00 0.00 C ATOM 1314 CD ARG A 87 -8.474 7.901 11.017 1.00 0.00 C ATOM 1315 NE ARG A 87 -8.164 7.795 9.580 1.00 0.00 N ATOM 1316 CZ ARG A 87 -7.012 7.532 8.979 1.00 0.00 C ATOM 1317 NH1 ARG A 87 -5.920 7.201 9.628 1.00 0.00 N ATOM 1318 NH2 ARG A 87 -6.951 7.595 7.673 1.00 0.00 N ATOM 0 H ARG A 87 -10.731 12.802 10.551 1.00 0.00 H new ATOM 0 HA ARG A 87 -10.062 11.366 12.035 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -9.521 10.003 10.034 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -7.920 10.714 9.958 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -7.101 9.423 11.687 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -8.624 9.408 12.553 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -7.891 7.165 11.570 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -9.525 7.663 11.180 1.00 0.00 H new ATOM 0 HE ARG A 87 -8.955 7.947 8.954 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -5.932 7.136 10.646 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -5.060 7.009 9.114 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -7.781 7.843 7.135 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -6.073 7.396 7.193 1.00 0.00 H new ATOM 1332 N PRO A 88 -8.588 12.318 13.726 1.00 0.00 N ATOM 1333 CA PRO A 88 -7.673 12.624 14.830 1.00 0.00 C ATOM 1334 C PRO A 88 -6.863 11.371 15.196 1.00 0.00 C ATOM 1335 O PRO A 88 -7.272 10.570 16.032 1.00 0.00 O ATOM 1336 CB PRO A 88 -8.573 13.119 15.969 1.00 0.00 C ATOM 1337 CG PRO A 88 -9.877 12.354 15.750 1.00 0.00 C ATOM 1338 CD PRO A 88 -9.958 12.238 14.230 1.00 0.00 C ATOM 0 HA PRO A 88 -6.932 13.384 14.583 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -8.140 12.903 16.946 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -8.727 14.197 15.920 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -9.855 11.375 16.229 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -10.733 12.890 16.160 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -10.423 11.296 13.939 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -10.570 13.038 13.813 1.00 0.00 H new ATOM 1346 N VAL A 89 -5.705 11.196 14.552 1.00 0.00 N ATOM 1347 CA VAL A 89 -4.882 9.965 14.591 1.00 0.00 C ATOM 1348 C VAL A 89 -4.589 9.461 16.011 1.00 0.00 C ATOM 1349 O VAL A 89 -4.685 8.260 16.260 1.00 0.00 O ATOM 1350 CB VAL A 89 -3.574 10.195 13.784 1.00 0.00 C ATOM 1351 CG1 VAL A 89 -2.425 9.224 14.101 1.00 0.00 C ATOM 1352 CG2 VAL A 89 -3.890 10.144 12.275 1.00 0.00 C ATOM 0 H VAL A 89 -5.294 11.925 13.969 1.00 0.00 H new ATOM 0 HA VAL A 89 -5.465 9.169 14.127 1.00 0.00 H new ATOM 0 HB VAL A 89 -3.213 11.177 14.089 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.560 9.470 13.485 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.157 9.309 15.154 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -2.742 8.203 13.889 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -2.974 10.305 11.706 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -4.307 9.169 12.023 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -4.612 10.922 12.028 1.00 0.00 H new ATOM 1362 N GLU A 90 -4.318 10.362 16.959 1.00 0.00 N ATOM 1363 CA GLU A 90 -4.017 9.986 18.352 1.00 0.00 C ATOM 1364 C GLU A 90 -5.244 9.409 19.064 1.00 0.00 C ATOM 1365 O GLU A 90 -5.128 8.467 19.845 1.00 0.00 O ATOM 1366 CB GLU A 90 -3.493 11.196 19.145 1.00 0.00 C ATOM 1367 CG GLU A 90 -2.271 11.860 18.507 1.00 0.00 C ATOM 1368 CD GLU A 90 -1.685 12.931 19.436 1.00 0.00 C ATOM 1369 OE1 GLU A 90 -2.137 14.100 19.384 1.00 0.00 O ATOM 1370 OE2 GLU A 90 -0.758 12.613 20.220 1.00 0.00 O ATOM 0 H GLU A 90 -4.300 11.368 16.789 1.00 0.00 H new ATOM 0 HA GLU A 90 -3.247 9.216 18.311 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -4.291 11.933 19.237 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -3.237 10.875 20.155 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -1.514 11.106 18.290 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -2.552 12.312 17.556 1.00 0.00 H new ATOM 1377 N VAL A 91 -6.436 9.929 18.763 1.00 0.00 N ATOM 1378 CA VAL A 91 -7.709 9.493 19.367 1.00 0.00 C ATOM 1379 C VAL A 91 -8.143 8.140 18.783 1.00 0.00 C ATOM 1380 O VAL A 91 -8.687 7.312 19.507 1.00 0.00 O ATOM 1381 CB VAL A 91 -8.803 10.574 19.194 1.00 0.00 C ATOM 1382 CG1 VAL A 91 -10.153 10.170 19.812 1.00 0.00 C ATOM 1383 CG2 VAL A 91 -8.353 11.915 19.807 1.00 0.00 C ATOM 0 H VAL A 91 -6.552 10.679 18.081 1.00 0.00 H new ATOM 0 HA VAL A 91 -7.559 9.358 20.438 1.00 0.00 H new ATOM 0 HB VAL A 91 -8.946 10.682 18.119 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -10.878 10.969 19.658 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -10.512 9.258 19.336 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -10.027 9.996 20.881 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -9.139 12.658 19.673 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -8.158 11.781 20.871 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -7.444 12.255 19.311 1.00 0.00 H new ATOM 1393 N ILE A 92 -7.828 7.869 17.506 1.00 0.00 N ATOM 1394 CA ILE A 92 -8.042 6.542 16.893 1.00 0.00 C ATOM 1395 C ILE A 92 -7.129 5.497 17.540 1.00 0.00 C ATOM 1396 O ILE A 92 -7.609 4.448 17.966 1.00 0.00 O ATOM 1397 CB ILE A 92 -7.853 6.611 15.361 1.00 0.00 C ATOM 1398 CG1 ILE A 92 -8.745 7.678 14.685 1.00 0.00 C ATOM 1399 CG2 ILE A 92 -8.093 5.241 14.696 1.00 0.00 C ATOM 1400 CD1 ILE A 92 -10.167 7.876 15.221 1.00 0.00 C ATOM 0 H ILE A 92 -7.421 8.556 16.871 1.00 0.00 H new ATOM 0 HA ILE A 92 -9.071 6.232 17.076 1.00 0.00 H new ATOM 0 HB ILE A 92 -6.815 6.907 15.212 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -8.228 8.635 14.751 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -8.820 7.428 13.627 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -7.951 5.329 13.619 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -7.387 4.513 15.097 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -9.111 4.910 14.902 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -10.667 8.656 14.647 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -10.724 6.944 15.128 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -10.123 8.169 16.270 1.00 0.00 H new ATOM 1412 N ILE A 93 -5.834 5.802 17.692 1.00 0.00 N ATOM 1413 CA ILE A 93 -4.880 4.919 18.386 1.00 0.00 C ATOM 1414 C ILE A 93 -5.280 4.735 19.859 1.00 0.00 C ATOM 1415 O ILE A 93 -5.182 3.632 20.387 1.00 0.00 O ATOM 1416 CB ILE A 93 -3.442 5.464 18.203 1.00 0.00 C ATOM 1417 CG1 ILE A 93 -3.024 5.286 16.719 1.00 0.00 C ATOM 1418 CG2 ILE A 93 -2.444 4.760 19.143 1.00 0.00 C ATOM 1419 CD1 ILE A 93 -1.695 5.949 16.334 1.00 0.00 C ATOM 0 H ILE A 93 -5.417 6.664 17.340 1.00 0.00 H new ATOM 0 HA ILE A 93 -4.905 3.923 17.944 1.00 0.00 H new ATOM 0 HB ILE A 93 -3.429 6.522 18.464 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -2.957 4.220 16.502 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -3.812 5.692 16.084 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -1.446 5.169 18.986 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -2.743 4.922 20.179 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -2.436 3.691 18.930 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -1.491 5.768 15.279 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -1.759 7.022 16.513 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -0.890 5.528 16.937 1.00 0.00 H new ATOM 1431 N SER A 94 -5.784 5.781 20.513 1.00 0.00 N ATOM 1432 CA SER A 94 -6.271 5.703 21.897 1.00 0.00 C ATOM 1433 C SER A 94 -7.503 4.793 22.016 1.00 0.00 C ATOM 1434 O SER A 94 -7.576 3.977 22.933 1.00 0.00 O ATOM 1435 CB SER A 94 -6.595 7.103 22.450 1.00 0.00 C ATOM 1436 OG SER A 94 -5.464 7.962 22.428 1.00 0.00 O ATOM 0 H SER A 94 -5.868 6.710 20.100 1.00 0.00 H new ATOM 0 HA SER A 94 -5.469 5.267 22.492 1.00 0.00 H new ATOM 0 HB2 SER A 94 -7.398 7.547 21.862 1.00 0.00 H new ATOM 0 HB3 SER A 94 -6.961 7.012 23.473 1.00 0.00 H new ATOM 0 HG SER A 94 -5.257 8.207 21.502 1.00 0.00 H new ATOM 1442 N SER A 95 -8.449 4.877 21.075 1.00 0.00 N ATOM 1443 CA SER A 95 -9.602 3.969 21.010 1.00 0.00 C ATOM 1444 C SER A 95 -9.145 2.516 20.818 1.00 0.00 C ATOM 1445 O SER A 95 -9.544 1.626 21.573 1.00 0.00 O ATOM 1446 CB SER A 95 -10.557 4.385 19.878 1.00 0.00 C ATOM 1447 OG SER A 95 -11.795 3.703 20.021 1.00 0.00 O ATOM 0 H SER A 95 -8.438 5.578 20.334 1.00 0.00 H new ATOM 0 HA SER A 95 -10.137 4.036 21.957 1.00 0.00 H new ATOM 0 HB2 SER A 95 -10.719 5.463 19.904 1.00 0.00 H new ATOM 0 HB3 SER A 95 -10.112 4.153 18.910 1.00 0.00 H new ATOM 0 HG SER A 95 -12.180 3.535 19.136 1.00 0.00 H new ATOM 1453 N ALA A 96 -8.239 2.281 19.862 1.00 0.00 N ATOM 1454 CA ALA A 96 -7.688 0.961 19.576 1.00 0.00 C ATOM 1455 C ALA A 96 -6.998 0.339 20.803 1.00 0.00 C ATOM 1456 O ALA A 96 -7.255 -0.818 21.136 1.00 0.00 O ATOM 1457 CB ALA A 96 -6.749 1.115 18.369 1.00 0.00 C ATOM 0 H ALA A 96 -7.866 3.015 19.260 1.00 0.00 H new ATOM 0 HA ALA A 96 -8.485 0.258 19.333 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -6.314 0.147 18.121 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -7.313 1.489 17.515 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -5.953 1.818 18.614 1.00 0.00 H new ATOM 1463 N LYS A 97 -6.195 1.121 21.535 1.00 0.00 N ATOM 1464 CA LYS A 97 -5.603 0.705 22.812 1.00 0.00 C ATOM 1465 C LYS A 97 -6.677 0.415 23.880 1.00 0.00 C ATOM 1466 O LYS A 97 -6.649 -0.649 24.500 1.00 0.00 O ATOM 1467 CB LYS A 97 -4.595 1.772 23.272 1.00 0.00 C ATOM 1468 CG LYS A 97 -3.314 1.756 22.416 1.00 0.00 C ATOM 1469 CD LYS A 97 -2.391 2.949 22.705 1.00 0.00 C ATOM 1470 CE LYS A 97 -1.867 2.946 24.151 1.00 0.00 C ATOM 1471 NZ LYS A 97 -0.932 4.078 24.405 1.00 0.00 N ATOM 0 H LYS A 97 -5.936 2.067 21.255 1.00 0.00 H new ATOM 0 HA LYS A 97 -5.073 -0.236 22.667 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -5.058 2.757 23.215 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -4.336 1.601 24.317 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -2.771 0.829 22.600 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -3.587 1.761 21.361 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -1.547 2.928 22.015 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -2.932 3.877 22.519 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -2.708 3.007 24.842 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -1.358 2.003 24.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -0.601 4.041 25.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -0.117 4.006 23.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -1.424 4.979 24.239 1.00 0.00 H new ATOM 1485 N GLU A 98 -7.671 1.291 24.051 1.00 0.00 N ATOM 1486 CA GLU A 98 -8.759 1.101 25.023 1.00 0.00 C ATOM 1487 C GLU A 98 -9.594 -0.168 24.762 1.00 0.00 C ATOM 1488 O GLU A 98 -10.060 -0.803 25.710 1.00 0.00 O ATOM 1489 CB GLU A 98 -9.677 2.333 25.059 1.00 0.00 C ATOM 1490 CG GLU A 98 -9.079 3.526 25.821 1.00 0.00 C ATOM 1491 CD GLU A 98 -9.035 3.276 27.337 1.00 0.00 C ATOM 1492 OE1 GLU A 98 -10.074 3.457 28.015 1.00 0.00 O ATOM 1493 OE2 GLU A 98 -7.960 2.905 27.868 1.00 0.00 O ATOM 0 H GLU A 98 -7.747 2.157 23.518 1.00 0.00 H new ATOM 0 HA GLU A 98 -8.279 0.972 25.993 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -9.899 2.640 24.037 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -10.624 2.056 25.521 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -8.071 3.721 25.456 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -9.670 4.419 25.618 1.00 0.00 H new ATOM 1500 N MET A 99 -9.729 -0.588 23.497 1.00 0.00 N ATOM 1501 CA MET A 99 -10.432 -1.829 23.123 1.00 0.00 C ATOM 1502 C MET A 99 -9.631 -3.118 23.403 1.00 0.00 C ATOM 1503 O MET A 99 -10.203 -4.205 23.300 1.00 0.00 O ATOM 1504 CB MET A 99 -10.857 -1.780 21.646 1.00 0.00 C ATOM 1505 CG MET A 99 -11.915 -0.716 21.334 1.00 0.00 C ATOM 1506 SD MET A 99 -12.427 -0.689 19.595 1.00 0.00 S ATOM 1507 CE MET A 99 -13.608 -2.062 19.624 1.00 0.00 C ATOM 0 H MET A 99 -9.353 -0.076 22.699 1.00 0.00 H new ATOM 0 HA MET A 99 -11.311 -1.876 23.765 1.00 0.00 H new ATOM 0 HB2 MET A 99 -9.976 -1.592 21.032 1.00 0.00 H new ATOM 0 HB3 MET A 99 -11.244 -2.757 21.358 1.00 0.00 H new ATOM 0 HG2 MET A 99 -12.790 -0.892 21.959 1.00 0.00 H new ATOM 0 HG3 MET A 99 -11.523 0.265 21.604 1.00 0.00 H new ATOM 0 HE1 MET A 99 -13.722 -2.465 18.618 1.00 0.00 H new ATOM 0 HE2 MET A 99 -13.241 -2.844 20.289 1.00 0.00 H new ATOM 0 HE3 MET A 99 -14.573 -1.704 19.983 1.00 0.00 H new ATOM 1517 N VAL A 100 -8.343 -3.052 23.762 1.00 0.00 N ATOM 1518 CA VAL A 100 -7.509 -4.247 24.016 1.00 0.00 C ATOM 1519 C VAL A 100 -8.129 -5.140 25.091 1.00 0.00 C ATOM 1520 O VAL A 100 -8.433 -4.701 26.200 1.00 0.00 O ATOM 1521 CB VAL A 100 -6.048 -3.903 24.405 1.00 0.00 C ATOM 1522 CG1 VAL A 100 -5.228 -5.127 24.861 1.00 0.00 C ATOM 1523 CG2 VAL A 100 -5.312 -3.307 23.202 1.00 0.00 C ATOM 0 H VAL A 100 -7.844 -2.171 23.886 1.00 0.00 H new ATOM 0 HA VAL A 100 -7.476 -4.786 23.069 1.00 0.00 H new ATOM 0 HB VAL A 100 -6.127 -3.201 25.235 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -4.216 -4.812 25.117 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -5.701 -5.577 25.734 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -5.187 -5.858 24.054 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -4.287 -3.068 23.484 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -5.305 -4.029 22.386 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -5.820 -2.399 22.878 1.00 0.00 H new ATOM 1533 N GLY A 101 -8.281 -6.417 24.727 1.00 0.00 N ATOM 1534 CA GLY A 101 -8.808 -7.482 25.579 1.00 0.00 C ATOM 1535 C GLY A 101 -10.331 -7.610 25.548 1.00 0.00 C ATOM 1536 O GLY A 101 -10.850 -8.495 26.232 1.00 0.00 O ATOM 0 H GLY A 101 -8.030 -6.747 23.795 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -8.368 -8.430 25.271 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -8.490 -7.302 26.606 1.00 0.00 H new ATOM 1540 N GLN A 102 -11.062 -6.777 24.788 1.00 0.00 N ATOM 1541 CA GLN A 102 -12.517 -6.866 24.762 1.00 0.00 C ATOM 1542 C GLN A 102 -12.980 -8.029 23.883 1.00 0.00 C ATOM 1543 O GLN A 102 -12.470 -8.256 22.784 1.00 0.00 O ATOM 1544 CB GLN A 102 -13.220 -5.534 24.406 1.00 0.00 C ATOM 1545 CG GLN A 102 -13.442 -5.183 22.915 1.00 0.00 C ATOM 1546 CD GLN A 102 -14.687 -4.313 22.733 1.00 0.00 C ATOM 1547 OE1 GLN A 102 -14.627 -3.092 22.695 1.00 0.00 O ATOM 1548 NE2 GLN A 102 -15.860 -4.911 22.643 1.00 0.00 N ATOM 0 H GLN A 102 -10.669 -6.047 24.194 1.00 0.00 H new ATOM 0 HA GLN A 102 -12.830 -7.076 25.785 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -14.195 -5.535 24.893 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -12.641 -4.726 24.853 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -12.568 -4.659 22.528 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -13.547 -6.099 22.334 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -15.917 -5.929 22.674 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -16.709 -4.355 22.542 1.00 0.00 H new ATOM 1557 N LYS A 103 -13.980 -8.754 24.372 1.00 0.00 N ATOM 1558 CA LYS A 103 -14.719 -9.754 23.613 1.00 0.00 C ATOM 1559 C LYS A 103 -15.775 -9.079 22.716 1.00 0.00 C ATOM 1560 O LYS A 103 -16.109 -7.900 22.880 1.00 0.00 O ATOM 1561 CB LYS A 103 -15.343 -10.761 24.599 1.00 0.00 C ATOM 1562 CG LYS A 103 -14.399 -11.899 25.010 1.00 0.00 C ATOM 1563 CD LYS A 103 -13.056 -11.469 25.614 1.00 0.00 C ATOM 1564 CE LYS A 103 -12.329 -12.708 26.151 1.00 0.00 C ATOM 1565 NZ LYS A 103 -10.998 -12.373 26.725 1.00 0.00 N ATOM 0 H LYS A 103 -14.307 -8.659 25.333 1.00 0.00 H new ATOM 0 HA LYS A 103 -14.048 -10.296 22.947 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -15.663 -10.227 25.494 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -16.237 -11.190 24.147 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -14.915 -12.530 25.733 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -14.201 -12.515 24.133 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -12.446 -10.972 24.860 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -13.218 -10.750 26.417 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -12.943 -13.185 26.915 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -12.204 -13.432 25.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -10.662 -13.165 27.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -10.321 -12.200 25.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -11.079 -11.519 27.313 1.00 0.00 H new ATOM 1579 N MET A 104 -16.302 -9.841 21.757 1.00 0.00 N ATOM 1580 CA MET A 104 -17.265 -9.384 20.746 1.00 0.00 C ATOM 1581 C MET A 104 -18.030 -10.570 20.150 1.00 0.00 C ATOM 1582 O MET A 104 -17.443 -11.596 19.828 1.00 0.00 O ATOM 1583 CB MET A 104 -16.482 -8.587 19.681 1.00 0.00 C ATOM 1584 CG MET A 104 -17.354 -7.927 18.609 1.00 0.00 C ATOM 1585 SD MET A 104 -16.411 -6.941 17.415 1.00 0.00 S ATOM 1586 CE MET A 104 -15.821 -5.598 18.488 1.00 0.00 C ATOM 0 H MET A 104 -16.064 -10.828 21.657 1.00 0.00 H new ATOM 0 HA MET A 104 -18.020 -8.736 21.191 1.00 0.00 H new ATOM 0 HB2 MET A 104 -15.898 -7.815 20.181 1.00 0.00 H new ATOM 0 HB3 MET A 104 -15.774 -9.257 19.193 1.00 0.00 H new ATOM 0 HG2 MET A 104 -17.906 -8.700 18.074 1.00 0.00 H new ATOM 0 HG3 MET A 104 -18.091 -7.287 19.095 1.00 0.00 H new ATOM 0 HE1 MET A 104 -15.522 -4.747 17.875 1.00 0.00 H new ATOM 0 HE2 MET A 104 -16.620 -5.295 19.165 1.00 0.00 H new ATOM 0 HE3 MET A 104 -14.966 -5.945 19.069 1.00 0.00 H new ATOM 1596 N LYS A 105 -19.342 -10.430 19.971 1.00 0.00 N ATOM 1597 CA LYS A 105 -20.196 -11.410 19.271 1.00 0.00 C ATOM 1598 C LYS A 105 -21.479 -10.740 18.717 1.00 0.00 C ATOM 1599 O LYS A 105 -22.571 -11.307 18.719 1.00 0.00 O ATOM 1600 CB LYS A 105 -20.469 -12.628 20.186 1.00 0.00 C ATOM 1601 CG LYS A 105 -20.499 -13.926 19.358 1.00 0.00 C ATOM 1602 CD LYS A 105 -21.142 -15.121 20.075 1.00 0.00 C ATOM 1603 CE LYS A 105 -20.623 -15.330 21.504 1.00 0.00 C ATOM 1604 NZ LYS A 105 -21.242 -16.521 22.149 1.00 0.00 N ATOM 0 H LYS A 105 -19.859 -9.620 20.312 1.00 0.00 H new ATOM 0 HA LYS A 105 -19.670 -11.792 18.396 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -19.697 -12.696 20.952 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -21.420 -12.497 20.703 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -21.042 -13.739 18.431 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -19.478 -14.190 19.082 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -22.222 -14.977 20.107 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -20.958 -16.025 19.494 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -19.540 -15.450 21.483 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -20.834 -14.443 22.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -20.866 -16.629 23.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -22.274 -16.396 22.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -21.019 -17.372 21.594 1.00 0.00 H new ATOM 1618 N TYR A 106 -21.340 -9.475 18.301 1.00 0.00 N ATOM 1619 CA TYR A 106 -22.428 -8.557 17.927 1.00 0.00 C ATOM 1620 C TYR A 106 -23.301 -9.057 16.758 1.00 0.00 C ATOM 1621 O TYR A 106 -24.503 -8.794 16.718 1.00 0.00 O ATOM 1622 CB TYR A 106 -21.759 -7.214 17.577 1.00 0.00 C ATOM 1623 CG TYR A 106 -22.671 -6.154 16.992 1.00 0.00 C ATOM 1624 CD1 TYR A 106 -23.587 -5.472 17.817 1.00 0.00 C ATOM 1625 CD2 TYR A 106 -22.597 -5.847 15.619 1.00 0.00 C ATOM 1626 CE1 TYR A 106 -24.429 -4.483 17.274 1.00 0.00 C ATOM 1627 CE2 TYR A 106 -23.437 -4.859 15.073 1.00 0.00 C ATOM 1628 CZ TYR A 106 -24.354 -4.173 15.898 1.00 0.00 C ATOM 1629 OH TYR A 106 -25.160 -3.214 15.363 1.00 0.00 O ATOM 0 H TYR A 106 -20.421 -9.041 18.211 1.00 0.00 H new ATOM 0 HA TYR A 106 -23.122 -8.470 18.763 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -21.300 -6.813 18.480 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -20.954 -7.405 16.868 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -23.643 -5.709 18.869 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -21.896 -6.370 14.986 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -25.131 -3.962 17.908 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -23.380 -4.625 14.020 1.00 0.00 H new ATOM 0 HH TYR A 106 -24.975 -3.129 14.404 1.00 0.00 H new ATOM 1639 N SER A 107 -22.702 -9.780 15.810 1.00 0.00 N ATOM 1640 CA SER A 107 -23.306 -10.160 14.530 1.00 0.00 C ATOM 1641 C SER A 107 -22.547 -11.329 13.859 1.00 0.00 C ATOM 1642 O SER A 107 -21.859 -12.099 14.531 1.00 0.00 O ATOM 1643 CB SER A 107 -23.337 -8.888 13.657 1.00 0.00 C ATOM 1644 OG SER A 107 -24.143 -9.074 12.502 1.00 0.00 O ATOM 0 H SER A 107 -21.750 -10.130 15.915 1.00 0.00 H new ATOM 0 HA SER A 107 -24.319 -10.536 14.675 1.00 0.00 H new ATOM 0 HB2 SER A 107 -23.723 -8.053 14.241 1.00 0.00 H new ATOM 0 HB3 SER A 107 -22.323 -8.626 13.357 1.00 0.00 H new ATOM 0 HG SER A 107 -24.145 -8.252 11.969 1.00 0.00 H new ATOM 1650 N ILE A 108 -22.660 -11.482 12.534 1.00 0.00 N ATOM 1651 CA ILE A 108 -21.846 -12.396 11.709 1.00 0.00 C ATOM 1652 C ILE A 108 -20.416 -11.839 11.566 1.00 0.00 C ATOM 1653 O ILE A 108 -20.230 -10.630 11.667 1.00 0.00 O ATOM 1654 CB ILE A 108 -22.569 -12.621 10.353 1.00 0.00 C ATOM 1655 CG1 ILE A 108 -21.991 -13.839 9.593 1.00 0.00 C ATOM 1656 CG2 ILE A 108 -22.562 -11.352 9.476 1.00 0.00 C ATOM 1657 CD1 ILE A 108 -22.858 -14.295 8.413 1.00 0.00 C ATOM 0 H ILE A 108 -23.341 -10.958 11.985 1.00 0.00 H new ATOM 0 HA ILE A 108 -21.742 -13.372 12.184 1.00 0.00 H new ATOM 0 HB ILE A 108 -23.611 -12.844 10.583 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -20.996 -13.589 9.226 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -21.875 -14.669 10.290 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -23.078 -11.555 8.538 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -23.070 -10.544 10.002 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -21.533 -11.059 9.268 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -22.391 -15.152 7.928 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -23.846 -14.577 8.775 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -22.954 -13.480 7.696 1.00 0.00 H new ATOM 1669 N VAL A 109 -19.403 -12.683 11.319 1.00 0.00 N ATOM 1670 CA VAL A 109 -17.969 -12.281 11.349 1.00 0.00 C ATOM 1671 C VAL A 109 -17.653 -11.035 10.504 1.00 0.00 C ATOM 1672 O VAL A 109 -16.899 -10.174 10.953 1.00 0.00 O ATOM 1673 CB VAL A 109 -17.029 -13.463 10.999 1.00 0.00 C ATOM 1674 CG1 VAL A 109 -17.102 -13.908 9.529 1.00 0.00 C ATOM 1675 CG2 VAL A 109 -15.573 -13.159 11.386 1.00 0.00 C ATOM 0 H VAL A 109 -19.544 -13.667 11.091 1.00 0.00 H new ATOM 0 HA VAL A 109 -17.773 -11.992 12.382 1.00 0.00 H new ATOM 0 HB VAL A 109 -17.395 -14.299 11.595 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -16.415 -14.738 9.366 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -18.118 -14.226 9.295 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -16.825 -13.075 8.883 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -14.942 -14.009 11.126 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -15.230 -12.275 10.848 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -15.512 -12.977 12.459 1.00 0.00 H new ATOM 1685 N SER A 110 -18.287 -10.875 9.339 1.00 0.00 N ATOM 1686 CA SER A 110 -18.119 -9.691 8.480 1.00 0.00 C ATOM 1687 C SER A 110 -18.586 -8.408 9.179 1.00 0.00 C ATOM 1688 O SER A 110 -17.832 -7.434 9.263 1.00 0.00 O ATOM 1689 CB SER A 110 -18.889 -9.882 7.163 1.00 0.00 C ATOM 1690 OG SER A 110 -18.486 -11.073 6.502 1.00 0.00 O ATOM 0 H SER A 110 -18.936 -11.565 8.960 1.00 0.00 H new ATOM 0 HA SER A 110 -17.055 -9.585 8.269 1.00 0.00 H new ATOM 0 HB2 SER A 110 -19.959 -9.920 7.366 1.00 0.00 H new ATOM 0 HB3 SER A 110 -18.718 -9.025 6.511 1.00 0.00 H new ATOM 0 HG SER A 110 -17.508 -11.136 6.509 1.00 0.00 H new ATOM 1696 N ARG A 111 -19.791 -8.412 9.767 1.00 0.00 N ATOM 1697 CA ARG A 111 -20.284 -7.251 10.511 1.00 0.00 C ATOM 1698 C ARG A 111 -19.609 -7.107 11.867 1.00 0.00 C ATOM 1699 O ARG A 111 -19.431 -5.976 12.292 1.00 0.00 O ATOM 1700 CB ARG A 111 -21.815 -7.252 10.620 1.00 0.00 C ATOM 1701 CG ARG A 111 -22.396 -5.970 11.269 1.00 0.00 C ATOM 1702 CD ARG A 111 -22.068 -4.637 10.571 1.00 0.00 C ATOM 1703 NE ARG A 111 -22.107 -4.717 9.099 1.00 0.00 N ATOM 1704 CZ ARG A 111 -23.155 -4.700 8.292 1.00 0.00 C ATOM 1705 NH1 ARG A 111 -24.398 -4.626 8.719 1.00 0.00 N ATOM 1706 NH2 ARG A 111 -22.909 -4.758 7.005 1.00 0.00 N ATOM 0 H ARG A 111 -20.436 -9.202 9.741 1.00 0.00 H new ATOM 0 HA ARG A 111 -20.009 -6.367 9.936 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -22.241 -7.369 9.623 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -22.128 -8.118 11.204 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -23.480 -6.073 11.316 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -22.036 -5.915 12.296 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -22.776 -3.878 10.904 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -21.077 -4.307 10.883 1.00 0.00 H new ATOM 0 HE ARG A 111 -21.200 -4.796 8.639 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -24.592 -4.578 9.719 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -25.168 -4.616 8.050 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -21.947 -4.813 6.672 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -23.680 -4.748 6.337 1.00 0.00 H new ATOM 1720 N ASN A 112 -19.137 -8.175 12.510 1.00 0.00 N ATOM 1721 CA ASN A 112 -18.302 -8.041 13.716 1.00 0.00 C ATOM 1722 C ASN A 112 -17.038 -7.216 13.400 1.00 0.00 C ATOM 1723 O ASN A 112 -16.702 -6.283 14.116 1.00 0.00 O ATOM 1724 CB ASN A 112 -17.894 -9.409 14.288 1.00 0.00 C ATOM 1725 CG ASN A 112 -19.047 -10.183 14.898 1.00 0.00 C ATOM 1726 OD1 ASN A 112 -19.894 -9.637 15.589 1.00 0.00 O ATOM 1727 ND2 ASN A 112 -19.106 -11.481 14.682 1.00 0.00 N ATOM 0 H ASN A 112 -19.314 -9.138 12.223 1.00 0.00 H new ATOM 0 HA ASN A 112 -18.900 -7.527 14.468 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -17.447 -10.006 13.493 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -17.125 -9.261 15.047 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -19.860 -12.032 15.092 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -18.398 -11.935 14.105 1.00 0.00 H new ATOM 1734 N CYS A 113 -16.403 -7.494 12.257 1.00 0.00 N ATOM 1735 CA CYS A 113 -15.276 -6.753 11.684 1.00 0.00 C ATOM 1736 C CYS A 113 -15.621 -5.275 11.396 1.00 0.00 C ATOM 1737 O CYS A 113 -14.914 -4.386 11.872 1.00 0.00 O ATOM 1738 CB CYS A 113 -14.813 -7.541 10.438 1.00 0.00 C ATOM 1739 SG CYS A 113 -13.318 -8.488 10.846 1.00 0.00 S ATOM 0 H CYS A 113 -16.677 -8.286 11.675 1.00 0.00 H new ATOM 0 HA CYS A 113 -14.455 -6.683 12.397 1.00 0.00 H new ATOM 0 HB2 CYS A 113 -15.603 -8.214 10.105 1.00 0.00 H new ATOM 0 HB3 CYS A 113 -14.610 -6.856 9.615 1.00 0.00 H new ATOM 0 HG CYS A 113 -12.927 -9.154 9.800 1.00 0.00 H new ATOM 1745 N GLU A 114 -16.714 -4.991 10.680 1.00 0.00 N ATOM 1746 CA GLU A 114 -17.148 -3.602 10.415 1.00 0.00 C ATOM 1747 C GLU A 114 -17.551 -2.852 11.704 1.00 0.00 C ATOM 1748 O GLU A 114 -17.160 -1.701 11.910 1.00 0.00 O ATOM 1749 CB GLU A 114 -18.307 -3.583 9.404 1.00 0.00 C ATOM 1750 CG GLU A 114 -17.893 -4.050 8.000 1.00 0.00 C ATOM 1751 CD GLU A 114 -19.079 -3.962 7.025 1.00 0.00 C ATOM 1752 OE1 GLU A 114 -20.060 -4.723 7.193 1.00 0.00 O ATOM 1753 OE2 GLU A 114 -19.039 -3.122 6.093 1.00 0.00 O ATOM 0 H GLU A 114 -17.320 -5.702 10.270 1.00 0.00 H new ATOM 0 HA GLU A 114 -16.291 -3.078 9.992 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -19.111 -4.222 9.770 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -18.708 -2.572 9.340 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -17.070 -3.436 7.635 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -17.529 -5.076 8.046 1.00 0.00 H new ATOM 1760 N HIS A 115 -18.273 -3.512 12.614 1.00 0.00 N ATOM 1761 CA HIS A 115 -18.619 -3.012 13.951 1.00 0.00 C ATOM 1762 C HIS A 115 -17.342 -2.639 14.737 1.00 0.00 C ATOM 1763 O HIS A 115 -17.255 -1.559 15.333 1.00 0.00 O ATOM 1764 CB HIS A 115 -19.445 -4.099 14.667 1.00 0.00 C ATOM 1765 CG HIS A 115 -19.811 -3.811 16.102 1.00 0.00 C ATOM 1766 ND1 HIS A 115 -20.762 -2.923 16.552 1.00 0.00 N ATOM 1767 CD2 HIS A 115 -19.323 -4.466 17.203 1.00 0.00 C ATOM 1768 CE1 HIS A 115 -20.833 -3.035 17.891 1.00 0.00 C ATOM 1769 NE2 HIS A 115 -19.959 -3.955 18.340 1.00 0.00 N ATOM 0 H HIS A 115 -18.647 -4.444 12.435 1.00 0.00 H new ATOM 0 HA HIS A 115 -19.215 -2.102 13.880 1.00 0.00 H new ATOM 0 HB2 HIS A 115 -20.364 -4.260 14.103 1.00 0.00 H new ATOM 0 HB3 HIS A 115 -18.884 -5.033 14.636 1.00 0.00 H new ATOM 0 HD2 HIS A 115 -18.575 -5.245 17.194 1.00 0.00 H new ATOM 0 HE1 HIS A 115 -21.500 -2.464 18.520 1.00 0.00 H new ATOM 0 HE2 HIS A 115 -19.794 -4.224 19.310 1.00 0.00 H new ATOM 1777 N PHE A 116 -16.317 -3.501 14.676 1.00 0.00 N ATOM 1778 CA PHE A 116 -14.984 -3.275 15.233 1.00 0.00 C ATOM 1779 C PHE A 116 -14.305 -2.050 14.602 1.00 0.00 C ATOM 1780 O PHE A 116 -13.988 -1.113 15.333 1.00 0.00 O ATOM 1781 CB PHE A 116 -14.168 -4.574 15.084 1.00 0.00 C ATOM 1782 CG PHE A 116 -12.665 -4.436 15.194 1.00 0.00 C ATOM 1783 CD1 PHE A 116 -12.082 -4.043 16.408 1.00 0.00 C ATOM 1784 CD2 PHE A 116 -11.846 -4.725 14.085 1.00 0.00 C ATOM 1785 CE1 PHE A 116 -10.687 -3.951 16.522 1.00 0.00 C ATOM 1786 CE2 PHE A 116 -10.445 -4.646 14.203 1.00 0.00 C ATOM 1787 CZ PHE A 116 -9.866 -4.265 15.426 1.00 0.00 C ATOM 0 H PHE A 116 -16.401 -4.409 14.219 1.00 0.00 H new ATOM 0 HA PHE A 116 -15.055 -3.036 16.294 1.00 0.00 H new ATOM 0 HB2 PHE A 116 -14.504 -5.279 15.845 1.00 0.00 H new ATOM 0 HB3 PHE A 116 -14.401 -5.016 14.115 1.00 0.00 H new ATOM 0 HD1 PHE A 116 -12.709 -3.811 17.256 1.00 0.00 H new ATOM 0 HD2 PHE A 116 -12.293 -5.007 13.143 1.00 0.00 H new ATOM 0 HE1 PHE A 116 -10.243 -3.638 17.455 1.00 0.00 H new ATOM 0 HE2 PHE A 116 -9.817 -4.878 13.356 1.00 0.00 H new ATOM 0 HZ PHE A 116 -8.792 -4.214 15.523 1.00 0.00 H new ATOM 1797 N VAL A 117 -14.134 -1.986 13.275 1.00 0.00 N ATOM 1798 CA VAL A 117 -13.440 -0.830 12.659 1.00 0.00 C ATOM 1799 C VAL A 117 -14.208 0.492 12.752 1.00 0.00 C ATOM 1800 O VAL A 117 -13.582 1.547 12.662 1.00 0.00 O ATOM 1801 CB VAL A 117 -12.939 -1.050 11.217 1.00 0.00 C ATOM 1802 CG1 VAL A 117 -11.749 -2.006 11.211 1.00 0.00 C ATOM 1803 CG2 VAL A 117 -14.009 -1.536 10.236 1.00 0.00 C ATOM 0 H VAL A 117 -14.454 -2.696 12.616 1.00 0.00 H new ATOM 0 HA VAL A 117 -12.554 -0.748 13.289 1.00 0.00 H new ATOM 0 HB VAL A 117 -12.639 -0.065 10.860 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -11.405 -2.153 10.187 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -10.941 -1.584 11.808 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -12.050 -2.965 11.633 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -13.566 -1.663 9.248 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -14.411 -2.489 10.579 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -14.813 -0.802 10.182 1.00 0.00 H new ATOM 1813 N THR A 118 -15.526 0.488 12.987 1.00 0.00 N ATOM 1814 CA THR A 118 -16.252 1.737 13.295 1.00 0.00 C ATOM 1815 C THR A 118 -15.949 2.187 14.721 1.00 0.00 C ATOM 1816 O THR A 118 -15.722 3.370 14.921 1.00 0.00 O ATOM 1817 CB THR A 118 -17.763 1.629 13.051 1.00 0.00 C ATOM 1818 OG1 THR A 118 -18.015 0.907 11.862 1.00 0.00 O ATOM 1819 CG2 THR A 118 -18.388 3.015 12.848 1.00 0.00 C ATOM 0 H THR A 118 -16.108 -0.349 12.972 1.00 0.00 H new ATOM 0 HA THR A 118 -15.892 2.497 12.601 1.00 0.00 H new ATOM 0 HB THR A 118 -18.190 1.133 13.923 1.00 0.00 H new ATOM 0 HG1 THR A 118 -17.798 -0.039 12.001 1.00 0.00 H new ATOM 0 HG21 THR A 118 -19.459 2.910 12.677 1.00 0.00 H new ATOM 0 HG22 THR A 118 -18.221 3.623 13.737 1.00 0.00 H new ATOM 0 HG23 THR A 118 -17.929 3.498 11.986 1.00 0.00 H new ATOM 1827 N GLN A 119 -15.831 1.275 15.691 1.00 0.00 N ATOM 1828 CA GLN A 119 -15.382 1.610 17.055 1.00 0.00 C ATOM 1829 C GLN A 119 -13.907 2.059 17.110 1.00 0.00 C ATOM 1830 O GLN A 119 -13.547 2.886 17.950 1.00 0.00 O ATOM 1831 CB GLN A 119 -15.683 0.439 18.001 1.00 0.00 C ATOM 1832 CG GLN A 119 -17.179 0.430 18.361 1.00 0.00 C ATOM 1833 CD GLN A 119 -17.628 -0.901 18.957 1.00 0.00 C ATOM 1834 OE1 GLN A 119 -17.877 -1.040 20.149 1.00 0.00 O ATOM 1835 NE2 GLN A 119 -17.774 -1.909 18.129 1.00 0.00 N ATOM 0 H GLN A 119 -16.042 0.286 15.558 1.00 0.00 H new ATOM 0 HA GLN A 119 -15.948 2.478 17.394 1.00 0.00 H new ATOM 0 HB2 GLN A 119 -15.408 -0.503 17.527 1.00 0.00 H new ATOM 0 HB3 GLN A 119 -15.082 0.527 18.906 1.00 0.00 H new ATOM 0 HG2 GLN A 119 -17.383 1.230 19.072 1.00 0.00 H new ATOM 0 HG3 GLN A 119 -17.766 0.641 17.467 1.00 0.00 H new ATOM 0 HE21 GLN A 119 -17.566 -1.789 17.138 1.00 0.00 H new ATOM 0 HE22 GLN A 119 -18.096 -2.812 18.477 1.00 0.00 H new ATOM 1844 N LEU A 120 -13.061 1.591 16.183 1.00 0.00 N ATOM 1845 CA LEU A 120 -11.706 2.124 16.006 1.00 0.00 C ATOM 1846 C LEU A 120 -11.767 3.568 15.479 1.00 0.00 C ATOM 1847 O LEU A 120 -11.258 4.480 16.129 1.00 0.00 O ATOM 1848 CB LEU A 120 -10.902 1.205 15.064 1.00 0.00 C ATOM 1849 CG LEU A 120 -10.574 -0.193 15.632 1.00 0.00 C ATOM 1850 CD1 LEU A 120 -9.978 -1.070 14.519 1.00 0.00 C ATOM 1851 CD2 LEU A 120 -9.584 -0.109 16.799 1.00 0.00 C ATOM 0 H LEU A 120 -13.296 0.836 15.538 1.00 0.00 H new ATOM 0 HA LEU A 120 -11.195 2.148 16.968 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -11.463 1.081 14.138 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -9.967 1.703 14.806 1.00 0.00 H new ATOM 0 HG LEU A 120 -11.500 -0.632 16.004 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -9.746 -2.057 14.919 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -10.699 -1.167 13.707 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -9.066 -0.608 14.141 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -9.377 -1.112 17.173 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -8.656 0.350 16.457 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -10.014 0.495 17.598 1.00 0.00 H new ATOM 1863 N ARG A 121 -12.432 3.782 14.331 1.00 0.00 N ATOM 1864 CA ARG A 121 -12.550 5.084 13.632 1.00 0.00 C ATOM 1865 C ARG A 121 -13.594 6.037 14.254 1.00 0.00 C ATOM 1866 O ARG A 121 -13.837 7.123 13.725 1.00 0.00 O ATOM 1867 CB ARG A 121 -12.855 4.858 12.137 1.00 0.00 C ATOM 1868 CG ARG A 121 -11.796 3.998 11.421 1.00 0.00 C ATOM 1869 CD ARG A 121 -12.170 3.651 9.975 1.00 0.00 C ATOM 1870 NE ARG A 121 -13.371 2.790 9.895 1.00 0.00 N ATOM 1871 CZ ARG A 121 -13.758 2.052 8.860 1.00 0.00 C ATOM 1872 NH1 ARG A 121 -13.062 1.996 7.747 1.00 0.00 N ATOM 1873 NH2 ARG A 121 -14.874 1.355 8.925 1.00 0.00 N ATOM 0 H ARG A 121 -12.921 3.031 13.843 1.00 0.00 H new ATOM 0 HA ARG A 121 -11.586 5.579 13.747 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -13.829 4.377 12.041 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -12.926 5.824 11.638 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -10.844 4.529 11.425 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -11.648 3.075 11.982 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -12.348 4.571 9.418 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -11.331 3.145 9.497 1.00 0.00 H new ATOM 0 HE ARG A 121 -13.966 2.760 10.723 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -12.197 2.529 7.659 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -13.387 1.420 6.971 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -15.443 1.381 9.771 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -15.169 0.789 8.129 1.00 0.00 H new ATOM 1887 N TYR A 122 -14.199 5.662 15.384 1.00 0.00 N ATOM 1888 CA TYR A 122 -15.338 6.316 16.052 1.00 0.00 C ATOM 1889 C TYR A 122 -15.078 7.803 16.378 1.00 0.00 C ATOM 1890 O TYR A 122 -16.005 8.593 16.562 1.00 0.00 O ATOM 1891 CB TYR A 122 -15.614 5.559 17.359 1.00 0.00 C ATOM 1892 CG TYR A 122 -17.024 5.696 17.898 1.00 0.00 C ATOM 1893 CD1 TYR A 122 -18.035 4.821 17.449 1.00 0.00 C ATOM 1894 CD2 TYR A 122 -17.319 6.661 18.881 1.00 0.00 C ATOM 1895 CE1 TYR A 122 -19.341 4.921 17.965 1.00 0.00 C ATOM 1896 CE2 TYR A 122 -18.622 6.767 19.402 1.00 0.00 C ATOM 1897 CZ TYR A 122 -19.638 5.900 18.943 1.00 0.00 C ATOM 1898 OH TYR A 122 -20.901 6.010 19.448 1.00 0.00 O ATOM 0 H TYR A 122 -13.888 4.836 15.896 1.00 0.00 H new ATOM 0 HA TYR A 122 -16.189 6.287 15.372 1.00 0.00 H new ATOM 0 HB2 TYR A 122 -15.404 4.501 17.199 1.00 0.00 H new ATOM 0 HB3 TYR A 122 -14.916 5.911 18.119 1.00 0.00 H new ATOM 0 HD1 TYR A 122 -17.806 4.071 16.706 1.00 0.00 H new ATOM 0 HD2 TYR A 122 -16.542 7.322 19.236 1.00 0.00 H new ATOM 0 HE1 TYR A 122 -20.114 4.253 17.616 1.00 0.00 H new ATOM 0 HE2 TYR A 122 -18.845 7.511 20.152 1.00 0.00 H new ATOM 0 HH TYR A 122 -20.927 6.733 20.109 1.00 0.00 H new ATOM 1908 N GLY A 123 -13.786 8.170 16.423 1.00 0.00 N ATOM 1909 CA GLY A 123 -13.276 9.539 16.576 1.00 0.00 C ATOM 1910 C GLY A 123 -13.877 10.535 15.579 1.00 0.00 C ATOM 1911 O GLY A 123 -14.058 11.703 15.925 1.00 0.00 O ATOM 0 H GLY A 123 -13.034 7.485 16.350 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -13.483 9.883 17.589 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -12.192 9.529 16.458 1.00 0.00 H new ATOM 1915 N LYS A 124 -14.229 10.070 14.371 1.00 0.00 N ATOM 1916 CA LYS A 124 -14.995 10.839 13.375 1.00 0.00 C ATOM 1917 C LYS A 124 -16.139 10.056 12.690 1.00 0.00 C ATOM 1918 O LYS A 124 -17.088 10.687 12.214 1.00 0.00 O ATOM 1919 CB LYS A 124 -14.014 11.398 12.323 1.00 0.00 C ATOM 1920 CG LYS A 124 -13.220 12.632 12.784 1.00 0.00 C ATOM 1921 CD LYS A 124 -14.083 13.894 12.957 1.00 0.00 C ATOM 1922 CE LYS A 124 -13.212 15.087 13.386 1.00 0.00 C ATOM 1923 NZ LYS A 124 -14.032 16.317 13.597 1.00 0.00 N ATOM 0 H LYS A 124 -13.986 9.132 14.052 1.00 0.00 H new ATOM 0 HA LYS A 124 -15.496 11.642 13.916 1.00 0.00 H new ATOM 0 HB2 LYS A 124 -13.311 10.612 12.046 1.00 0.00 H new ATOM 0 HB3 LYS A 124 -14.574 11.657 11.424 1.00 0.00 H new ATOM 0 HG2 LYS A 124 -12.730 12.405 13.731 1.00 0.00 H new ATOM 0 HG3 LYS A 124 -12.432 12.838 12.059 1.00 0.00 H new ATOM 0 HD2 LYS A 124 -14.591 14.125 12.021 1.00 0.00 H new ATOM 0 HD3 LYS A 124 -14.856 13.713 13.704 1.00 0.00 H new ATOM 0 HE2 LYS A 124 -12.682 14.840 14.306 1.00 0.00 H new ATOM 0 HE3 LYS A 124 -12.456 15.279 12.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 -13.413 17.102 13.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 -14.518 16.566 12.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 -14.737 16.141 14.341 1.00 0.00 H new ATOM 1937 N SER A 125 -16.078 8.717 12.644 1.00 0.00 N ATOM 1938 CA SER A 125 -17.074 7.853 11.980 1.00 0.00 C ATOM 1939 C SER A 125 -18.366 7.679 12.791 1.00 0.00 C ATOM 1940 O SER A 125 -19.458 7.797 12.187 1.00 0.00 O ATOM 1941 CB SER A 125 -16.474 6.490 11.657 1.00 0.00 C ATOM 1942 OG SER A 125 -15.383 6.691 10.783 1.00 0.00 O ATOM 1943 OXT SER A 125 -18.291 7.412 14.012 1.00 0.00 O ATOM 0 H SER A 125 -15.319 8.190 13.076 1.00 0.00 H new ATOM 0 HA SER A 125 -17.348 8.363 11.056 1.00 0.00 H new ATOM 0 HB2 SER A 125 -16.145 5.992 12.569 1.00 0.00 H new ATOM 0 HB3 SER A 125 -17.220 5.845 11.193 1.00 0.00 H new ATOM 0 HG SER A 125 -15.396 7.613 10.450 1.00 0.00 H new