USER MOD reduce.3.24.130724 H: found=0, std=0, add=829, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 830 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 72 ASN :FLIP amide:sc= 1.18 F(o=-1.1,f=1.5) USER MOD Set 1.2: A 78 ASN :FLIP amide:sc= 0.345 F(o=-1.5,f=1.5) USER MOD Set 2.1: A 19 SER OG : rot 177:sc= 0 USER MOD Set 2.2: A 66 TYR OH : rot 180:sc= -1.27 USER MOD Set 2.3: A 70 MET CE :methyl -170:sc= -3.79 (180deg=-4.03!) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 GLN : amide:sc= -1.86 K(o=-1.9,f=-4!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 MET CE :methyl 154:sc= -0.854 (180deg=-1.24) USER MOD Single : A 26 LYS NZ :NH3+ -132:sc= 0 (180deg=-0.697) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0.0567 USER MOD Single : A 32 ASN : amide:sc= 0 K(o=0,f=-0.97) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 149:sc= 0.199 (180deg=0.0161) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot 87:sc= 0.456 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 150:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= -0.153 X(o=-0.15,f=-0.23) USER MOD Single : A 65 LYS NZ :NH3+ 157:sc= 0.242 (180deg=-0.624) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ -124:sc= -0.358 (180deg=-1.56) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= -0.21 X(o=-0.21,f=-0.0065) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot -170:sc= -0.561 USER MOD Single : A 94 HIS : no HD1:sc= -0.228 X(o=-0.23,f=0.04) USER MOD Single : A 98 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 77 N ALA A 9 -9.444 16.047 1.020 1.00 0.00 N ATOM 78 CA ALA A 9 -8.264 15.313 0.579 1.00 0.00 C ATOM 79 C ALA A 9 -7.985 14.124 1.492 1.00 0.00 C ATOM 80 O ALA A 9 -7.802 13.000 1.025 1.00 0.00 O ATOM 81 CB ALA A 9 -7.057 16.237 0.529 1.00 0.00 C ATOM 0 HA ALA A 9 -8.457 14.931 -0.423 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -6.183 15.676 0.198 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -7.251 17.051 -0.169 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -6.871 16.647 1.522 1.00 0.00 H new ATOM 87 N ASP A 10 -7.954 14.379 2.796 1.00 0.00 N ATOM 88 CA ASP A 10 -7.698 13.329 3.775 1.00 0.00 C ATOM 89 C ASP A 10 -8.625 12.138 3.550 1.00 0.00 C ATOM 90 O ASP A 10 -8.279 11.002 3.872 1.00 0.00 O ATOM 91 CB ASP A 10 -7.877 13.870 5.194 1.00 0.00 C ATOM 92 CG ASP A 10 -6.684 14.680 5.660 1.00 0.00 C ATOM 93 OD1 ASP A 10 -5.747 14.082 6.230 1.00 0.00 O ATOM 94 OD2 ASP A 10 -6.686 15.911 5.454 1.00 0.00 O ATOM 0 H ASP A 10 -8.103 15.304 3.199 1.00 0.00 H new ATOM 0 HA ASP A 10 -6.668 12.993 3.650 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -8.772 14.491 5.232 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -8.037 13.038 5.879 1.00 0.00 H new ATOM 99 N GLN A 11 -9.803 12.408 2.997 1.00 0.00 N ATOM 100 CA GLN A 11 -10.779 11.359 2.731 1.00 0.00 C ATOM 101 C GLN A 11 -10.295 10.433 1.620 1.00 0.00 C ATOM 102 O GLN A 11 -10.515 9.222 1.668 1.00 0.00 O ATOM 103 CB GLN A 11 -12.127 11.972 2.349 1.00 0.00 C ATOM 104 CG GLN A 11 -13.208 10.941 2.067 1.00 0.00 C ATOM 105 CD GLN A 11 -14.592 11.553 1.984 1.00 0.00 C ATOM 106 OE1 GLN A 11 -15.033 11.978 0.915 1.00 0.00 O ATOM 107 NE2 GLN A 11 -15.287 11.601 3.114 1.00 0.00 N ATOM 0 H GLN A 11 -10.104 13.344 2.725 1.00 0.00 H new ATOM 0 HA GLN A 11 -10.900 10.772 3.641 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -12.461 12.625 3.155 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -11.995 12.598 1.466 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -12.983 10.432 1.130 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -13.196 10.184 2.851 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -14.883 11.237 3.977 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -16.225 12.002 3.119 1.00 0.00 H new ATOM 116 N ILE A 12 -9.636 11.010 0.621 1.00 0.00 N ATOM 117 CA ILE A 12 -9.121 10.236 -0.502 1.00 0.00 C ATOM 118 C ILE A 12 -8.069 9.233 -0.041 1.00 0.00 C ATOM 119 O ILE A 12 -8.306 8.025 -0.041 1.00 0.00 O ATOM 120 CB ILE A 12 -8.507 11.149 -1.580 1.00 0.00 C ATOM 121 CG1 ILE A 12 -9.538 12.173 -2.060 1.00 0.00 C ATOM 122 CG2 ILE A 12 -7.994 10.319 -2.747 1.00 0.00 C ATOM 123 CD1 ILE A 12 -8.972 13.195 -3.021 1.00 0.00 C ATOM 0 H ILE A 12 -9.446 12.011 0.566 1.00 0.00 H new ATOM 0 HA ILE A 12 -9.967 9.700 -0.931 1.00 0.00 H new ATOM 0 HB ILE A 12 -7.665 11.686 -1.144 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -10.361 11.648 -2.544 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -9.954 12.690 -1.196 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -7.563 10.978 -3.501 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -7.231 9.625 -2.393 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -8.819 9.758 -3.185 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -9.758 13.888 -3.319 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -8.168 13.746 -2.534 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -8.582 12.688 -3.903 1.00 0.00 H new ATOM 135 N ARG A 13 -6.906 9.743 0.353 1.00 0.00 N ATOM 136 CA ARG A 13 -5.817 8.892 0.817 1.00 0.00 C ATOM 137 C ARG A 13 -6.337 7.809 1.758 1.00 0.00 C ATOM 138 O ARG A 13 -5.882 6.666 1.715 1.00 0.00 O ATOM 139 CB ARG A 13 -4.752 9.731 1.526 1.00 0.00 C ATOM 140 CG ARG A 13 -5.314 10.948 2.242 1.00 0.00 C ATOM 141 CD ARG A 13 -4.288 11.563 3.182 1.00 0.00 C ATOM 142 NE ARG A 13 -3.955 10.670 4.289 1.00 0.00 N ATOM 143 CZ ARG A 13 -3.336 11.069 5.394 1.00 0.00 C ATOM 144 NH1 ARG A 13 -2.984 12.340 5.539 1.00 0.00 N ATOM 145 NH2 ARG A 13 -3.067 10.197 6.357 1.00 0.00 N ATOM 0 H ARG A 13 -6.694 10.741 0.360 1.00 0.00 H new ATOM 0 HA ARG A 13 -5.370 8.410 -0.052 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -4.229 9.104 2.248 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -4.013 10.059 0.795 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -5.628 11.690 1.508 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -6.201 10.662 2.807 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -3.383 11.802 2.624 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -4.676 12.502 3.578 1.00 0.00 H new ATOM 0 HE ARG A 13 -4.212 9.686 4.209 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -3.189 13.013 4.801 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -2.509 12.644 6.389 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -3.336 9.219 6.249 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -2.591 10.505 7.205 1.00 0.00 H new ATOM 159 N GLN A 14 -7.291 8.178 2.607 1.00 0.00 N ATOM 160 CA GLN A 14 -7.871 7.238 3.559 1.00 0.00 C ATOM 161 C GLN A 14 -8.628 6.129 2.837 1.00 0.00 C ATOM 162 O GLN A 14 -8.311 4.949 2.987 1.00 0.00 O ATOM 163 CB GLN A 14 -8.809 7.969 4.522 1.00 0.00 C ATOM 164 CG GLN A 14 -9.428 7.062 5.573 1.00 0.00 C ATOM 165 CD GLN A 14 -10.644 6.317 5.058 1.00 0.00 C ATOM 166 OE1 GLN A 14 -11.372 6.813 4.197 1.00 0.00 O ATOM 167 NE2 GLN A 14 -10.870 5.118 5.582 1.00 0.00 N ATOM 0 H GLN A 14 -7.678 9.120 2.655 1.00 0.00 H new ATOM 0 HA GLN A 14 -7.058 6.787 4.127 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -8.256 8.765 5.021 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -9.605 8.445 3.950 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -8.682 6.343 5.911 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -9.712 7.658 6.440 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -10.241 4.745 6.293 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -11.673 4.570 5.273 1.00 0.00 H new ATOM 176 N SER A 15 -9.630 6.515 2.054 1.00 0.00 N ATOM 177 CA SER A 15 -10.435 5.553 1.311 1.00 0.00 C ATOM 178 C SER A 15 -9.546 4.580 0.542 1.00 0.00 C ATOM 179 O SER A 15 -9.843 3.388 0.452 1.00 0.00 O ATOM 180 CB SER A 15 -11.372 6.278 0.344 1.00 0.00 C ATOM 181 OG SER A 15 -12.013 5.364 -0.528 1.00 0.00 O ATOM 0 H SER A 15 -9.904 7.488 1.918 1.00 0.00 H new ATOM 0 HA SER A 15 -11.031 4.986 2.026 1.00 0.00 H new ATOM 0 HB2 SER A 15 -12.121 6.834 0.907 1.00 0.00 H new ATOM 0 HB3 SER A 15 -10.806 7.005 -0.239 1.00 0.00 H new ATOM 0 HG SER A 15 -12.607 5.853 -1.135 1.00 0.00 H new ATOM 187 N VAL A 16 -8.454 5.097 -0.011 1.00 0.00 N ATOM 188 CA VAL A 16 -7.520 4.275 -0.772 1.00 0.00 C ATOM 189 C VAL A 16 -7.118 3.031 0.013 1.00 0.00 C ATOM 190 O VAL A 16 -7.055 1.931 -0.537 1.00 0.00 O ATOM 191 CB VAL A 16 -6.252 5.066 -1.146 1.00 0.00 C ATOM 192 CG1 VAL A 16 -5.208 4.143 -1.757 1.00 0.00 C ATOM 193 CG2 VAL A 16 -6.595 6.202 -2.097 1.00 0.00 C ATOM 0 H VAL A 16 -8.194 6.081 0.053 1.00 0.00 H new ATOM 0 HA VAL A 16 -8.033 3.974 -1.685 1.00 0.00 H new ATOM 0 HB VAL A 16 -5.832 5.498 -0.238 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -4.319 4.719 -2.015 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -4.942 3.368 -1.038 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -5.614 3.680 -2.656 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -5.688 6.750 -2.351 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -7.039 5.795 -3.005 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -7.304 6.876 -1.617 1.00 0.00 H new ATOM 203 N ARG A 17 -6.845 3.213 1.301 1.00 0.00 N ATOM 204 CA ARG A 17 -6.448 2.105 2.161 1.00 0.00 C ATOM 205 C ARG A 17 -7.461 0.967 2.086 1.00 0.00 C ATOM 206 O ARG A 17 -7.136 -0.140 1.657 1.00 0.00 O ATOM 207 CB ARG A 17 -6.306 2.581 3.608 1.00 0.00 C ATOM 208 CG ARG A 17 -5.223 3.631 3.801 1.00 0.00 C ATOM 209 CD ARG A 17 -4.842 3.775 5.266 1.00 0.00 C ATOM 210 NE ARG A 17 -5.999 4.076 6.105 1.00 0.00 N ATOM 211 CZ ARG A 17 -5.966 4.065 7.433 1.00 0.00 C ATOM 212 NH1 ARG A 17 -4.841 3.772 8.069 1.00 0.00 N ATOM 213 NH2 ARG A 17 -7.060 4.350 8.127 1.00 0.00 N ATOM 0 H ARG A 17 -6.892 4.117 1.771 1.00 0.00 H new ATOM 0 HA ARG A 17 -5.485 1.734 1.811 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -7.260 2.989 3.942 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -6.086 1.723 4.244 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -4.342 3.358 3.220 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -5.572 4.590 3.419 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -4.374 2.853 5.611 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -4.101 4.568 5.372 1.00 0.00 H new ATOM 0 HE ARG A 17 -6.880 4.307 5.646 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -3.997 3.554 7.539 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -4.819 3.764 9.089 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -7.927 4.578 7.641 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -7.034 4.341 9.147 1.00 0.00 H new ATOM 227 N HIS A 18 -8.691 1.248 2.506 1.00 0.00 N ATOM 228 CA HIS A 18 -9.752 0.248 2.486 1.00 0.00 C ATOM 229 C HIS A 18 -9.802 -0.464 1.138 1.00 0.00 C ATOM 230 O HIS A 18 -9.750 -1.692 1.071 1.00 0.00 O ATOM 231 CB HIS A 18 -11.103 0.901 2.781 1.00 0.00 C ATOM 232 CG HIS A 18 -12.267 0.155 2.206 1.00 0.00 C ATOM 233 ND1 HIS A 18 -13.082 0.674 1.222 1.00 0.00 N ATOM 234 CD2 HIS A 18 -12.752 -1.078 2.482 1.00 0.00 C ATOM 235 CE1 HIS A 18 -14.018 -0.207 0.918 1.00 0.00 C ATOM 236 NE2 HIS A 18 -13.839 -1.280 1.668 1.00 0.00 N ATOM 0 H HIS A 18 -8.977 2.159 2.864 1.00 0.00 H new ATOM 0 HA HIS A 18 -9.537 -0.490 3.259 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -11.231 0.981 3.861 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -11.101 1.916 2.384 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -12.357 -1.774 3.208 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -14.797 -0.073 0.182 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -14.415 -2.122 1.646 1.00 0.00 H new ATOM 245 N SER A 19 -9.906 0.315 0.066 1.00 0.00 N ATOM 246 CA SER A 19 -9.968 -0.242 -1.281 1.00 0.00 C ATOM 247 C SER A 19 -8.894 -1.308 -1.477 1.00 0.00 C ATOM 248 O SER A 19 -9.198 -2.493 -1.622 1.00 0.00 O ATOM 249 CB SER A 19 -9.799 0.866 -2.322 1.00 0.00 C ATOM 250 OG SER A 19 -10.888 1.771 -2.284 1.00 0.00 O ATOM 0 H SER A 19 -9.949 1.333 0.104 1.00 0.00 H new ATOM 0 HA SER A 19 -10.945 -0.707 -1.411 1.00 0.00 H new ATOM 0 HB2 SER A 19 -8.869 1.403 -2.138 1.00 0.00 H new ATOM 0 HB3 SER A 19 -9.722 0.426 -3.316 1.00 0.00 H new ATOM 0 HG SER A 19 -10.729 2.501 -2.919 1.00 0.00 H new ATOM 256 N LEU A 20 -7.637 -0.879 -1.482 1.00 0.00 N ATOM 257 CA LEU A 20 -6.516 -1.795 -1.661 1.00 0.00 C ATOM 258 C LEU A 20 -6.714 -3.065 -0.838 1.00 0.00 C ATOM 259 O LEU A 20 -6.785 -4.166 -1.383 1.00 0.00 O ATOM 260 CB LEU A 20 -5.206 -1.114 -1.263 1.00 0.00 C ATOM 261 CG LEU A 20 -4.822 0.127 -2.070 1.00 0.00 C ATOM 262 CD1 LEU A 20 -3.647 0.842 -1.421 1.00 0.00 C ATOM 263 CD2 LEU A 20 -4.491 -0.253 -3.506 1.00 0.00 C ATOM 0 H LEU A 20 -7.368 0.098 -1.364 1.00 0.00 H new ATOM 0 HA LEU A 20 -6.469 -2.071 -2.715 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -5.271 -0.833 -0.212 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.400 -1.843 -1.350 1.00 0.00 H new ATOM 0 HG LEU A 20 -5.673 0.808 -2.082 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -3.387 1.723 -2.009 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -3.920 1.147 -0.411 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.791 0.169 -1.378 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -4.220 0.642 -4.066 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.655 -0.953 -3.514 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -5.360 -0.721 -3.968 1.00 0.00 H new ATOM 275 N LYS A 21 -6.804 -2.902 0.477 1.00 0.00 N ATOM 276 CA LYS A 21 -6.997 -4.034 1.377 1.00 0.00 C ATOM 277 C LYS A 21 -8.083 -4.967 0.852 1.00 0.00 C ATOM 278 O LYS A 21 -7.839 -6.152 0.624 1.00 0.00 O ATOM 279 CB LYS A 21 -7.367 -3.540 2.777 1.00 0.00 C ATOM 280 CG LYS A 21 -7.555 -4.660 3.786 1.00 0.00 C ATOM 281 CD LYS A 21 -7.654 -4.122 5.204 1.00 0.00 C ATOM 282 CE LYS A 21 -9.087 -3.764 5.565 1.00 0.00 C ATOM 283 NZ LYS A 21 -9.167 -3.036 6.862 1.00 0.00 N ATOM 0 H LYS A 21 -6.746 -1.997 0.944 1.00 0.00 H new ATOM 0 HA LYS A 21 -6.060 -4.589 1.430 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -6.587 -2.867 3.134 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -8.287 -2.958 2.717 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -8.458 -5.221 3.545 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -6.719 -5.357 3.718 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -7.277 -4.867 5.904 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -7.021 -3.240 5.305 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -9.517 -3.148 4.776 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -9.685 -4.673 5.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -10.160 -2.810 7.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -8.780 -3.634 7.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -8.617 -2.155 6.800 1.00 0.00 H new ATOM 297 N ASP A 22 -9.281 -4.425 0.660 1.00 0.00 N ATOM 298 CA ASP A 22 -10.403 -5.209 0.159 1.00 0.00 C ATOM 299 C ASP A 22 -9.928 -6.267 -0.832 1.00 0.00 C ATOM 300 O ASP A 22 -10.128 -7.463 -0.620 1.00 0.00 O ATOM 301 CB ASP A 22 -11.434 -4.295 -0.506 1.00 0.00 C ATOM 302 CG ASP A 22 -12.732 -5.016 -0.815 1.00 0.00 C ATOM 303 OD1 ASP A 22 -12.794 -5.705 -1.855 1.00 0.00 O ATOM 304 OD2 ASP A 22 -13.686 -4.889 -0.019 1.00 0.00 O ATOM 0 H ASP A 22 -9.499 -3.446 0.844 1.00 0.00 H new ATOM 0 HA ASP A 22 -10.868 -5.714 1.005 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -11.639 -3.447 0.148 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -11.017 -3.892 -1.429 1.00 0.00 H new ATOM 309 N ILE A 23 -9.300 -5.818 -1.913 1.00 0.00 N ATOM 310 CA ILE A 23 -8.797 -6.726 -2.936 1.00 0.00 C ATOM 311 C ILE A 23 -7.953 -7.836 -2.319 1.00 0.00 C ATOM 312 O ILE A 23 -8.311 -9.013 -2.386 1.00 0.00 O ATOM 313 CB ILE A 23 -7.953 -5.979 -3.986 1.00 0.00 C ATOM 314 CG1 ILE A 23 -8.859 -5.184 -4.928 1.00 0.00 C ATOM 315 CG2 ILE A 23 -7.095 -6.960 -4.771 1.00 0.00 C ATOM 316 CD1 ILE A 23 -8.101 -4.286 -5.881 1.00 0.00 C ATOM 0 H ILE A 23 -9.127 -4.831 -2.103 1.00 0.00 H new ATOM 0 HA ILE A 23 -9.667 -7.163 -3.425 1.00 0.00 H new ATOM 0 HB ILE A 23 -7.293 -5.281 -3.471 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -9.469 -5.879 -5.505 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -9.542 -4.576 -4.335 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -6.504 -6.417 -5.509 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -6.428 -7.487 -4.089 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -7.737 -7.680 -5.278 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -8.807 -3.753 -6.518 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -7.512 -3.567 -5.312 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -7.438 -4.890 -6.500 1.00 0.00 H new ATOM 328 N LEU A 24 -6.833 -7.454 -1.716 1.00 0.00 N ATOM 329 CA LEU A 24 -5.938 -8.418 -1.084 1.00 0.00 C ATOM 330 C LEU A 24 -6.713 -9.368 -0.177 1.00 0.00 C ATOM 331 O LEU A 24 -6.350 -10.534 -0.028 1.00 0.00 O ATOM 332 CB LEU A 24 -4.861 -7.690 -0.277 1.00 0.00 C ATOM 333 CG LEU A 24 -4.018 -6.673 -1.048 1.00 0.00 C ATOM 334 CD1 LEU A 24 -3.234 -5.792 -0.087 1.00 0.00 C ATOM 335 CD2 LEU A 24 -3.079 -7.381 -2.013 1.00 0.00 C ATOM 0 H LEU A 24 -6.523 -6.485 -1.651 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.462 -9.004 -1.870 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.343 -7.176 0.555 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.192 -8.435 0.153 1.00 0.00 H new ATOM 0 HG LEU A 24 -4.689 -6.037 -1.626 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.640 -5.075 -0.653 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -3.926 -5.257 0.563 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -2.573 -6.412 0.519 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -2.487 -6.642 -2.553 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -2.414 -8.041 -1.456 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.662 -7.968 -2.723 1.00 0.00 H new ATOM 347 N MET A 25 -7.784 -8.860 0.426 1.00 0.00 N ATOM 348 CA MET A 25 -8.613 -9.665 1.316 1.00 0.00 C ATOM 349 C MET A 25 -9.444 -10.669 0.524 1.00 0.00 C ATOM 350 O MET A 25 -9.638 -11.807 0.953 1.00 0.00 O ATOM 351 CB MET A 25 -9.532 -8.765 2.144 1.00 0.00 C ATOM 352 CG MET A 25 -8.786 -7.870 3.120 1.00 0.00 C ATOM 353 SD MET A 25 -7.590 -8.776 4.121 1.00 0.00 S ATOM 354 CE MET A 25 -8.623 -9.307 5.484 1.00 0.00 C ATOM 0 H MET A 25 -8.097 -7.896 0.314 1.00 0.00 H new ATOM 0 HA MET A 25 -7.954 -10.215 1.988 1.00 0.00 H new ATOM 0 HB2 MET A 25 -10.121 -8.143 1.470 1.00 0.00 H new ATOM 0 HB3 MET A 25 -10.234 -9.388 2.698 1.00 0.00 H new ATOM 0 HG2 MET A 25 -8.270 -7.086 2.566 1.00 0.00 H new ATOM 0 HG3 MET A 25 -9.504 -7.377 3.776 1.00 0.00 H new ATOM 0 HE1 MET A 25 -8.207 -10.213 5.925 1.00 0.00 H new ATOM 0 HE2 MET A 25 -8.662 -8.521 6.239 1.00 0.00 H new ATOM 0 HE3 MET A 25 -9.630 -9.510 5.120 1.00 0.00 H new ATOM 364 N LYS A 26 -9.935 -10.242 -0.635 1.00 0.00 N ATOM 365 CA LYS A 26 -10.745 -11.103 -1.488 1.00 0.00 C ATOM 366 C LYS A 26 -9.868 -12.084 -2.260 1.00 0.00 C ATOM 367 O LYS A 26 -10.345 -13.114 -2.737 1.00 0.00 O ATOM 368 CB LYS A 26 -11.567 -10.260 -2.465 1.00 0.00 C ATOM 369 CG LYS A 26 -12.137 -11.056 -3.626 1.00 0.00 C ATOM 370 CD LYS A 26 -11.186 -11.072 -4.811 1.00 0.00 C ATOM 371 CE LYS A 26 -11.385 -9.855 -5.701 1.00 0.00 C ATOM 372 NZ LYS A 26 -11.065 -10.151 -7.125 1.00 0.00 N ATOM 0 H LYS A 26 -9.786 -9.303 -1.005 1.00 0.00 H new ATOM 0 HA LYS A 26 -11.422 -11.672 -0.850 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -12.386 -9.787 -1.923 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -10.940 -9.460 -2.858 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -12.336 -12.078 -3.304 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -13.091 -10.626 -3.930 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -10.157 -11.098 -4.453 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -11.344 -11.980 -5.393 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -12.417 -9.514 -5.624 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -10.753 -9.040 -5.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -10.447 -9.405 -7.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -10.579 -11.068 -7.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -11.945 -10.187 -7.678 1.00 0.00 H new ATOM 386 N ARG A 27 -8.585 -11.758 -2.377 1.00 0.00 N ATOM 387 CA ARG A 27 -7.643 -12.612 -3.091 1.00 0.00 C ATOM 388 C ARG A 27 -6.988 -13.611 -2.142 1.00 0.00 C ATOM 389 O ARG A 27 -6.442 -14.627 -2.573 1.00 0.00 O ATOM 390 CB ARG A 27 -6.569 -11.762 -3.773 1.00 0.00 C ATOM 391 CG ARG A 27 -7.131 -10.731 -4.738 1.00 0.00 C ATOM 392 CD ARG A 27 -7.775 -11.391 -5.947 1.00 0.00 C ATOM 393 NE ARG A 27 -6.784 -11.997 -6.832 1.00 0.00 N ATOM 394 CZ ARG A 27 -7.089 -12.581 -7.986 1.00 0.00 C ATOM 395 NH1 ARG A 27 -8.350 -12.638 -8.391 1.00 0.00 N ATOM 396 NH2 ARG A 27 -6.132 -13.110 -8.737 1.00 0.00 N ATOM 0 H ARG A 27 -8.174 -10.910 -1.987 1.00 0.00 H new ATOM 0 HA ARG A 27 -8.196 -13.166 -3.850 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -5.983 -11.251 -3.009 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -5.886 -12.418 -4.313 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -7.868 -10.114 -4.224 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -6.332 -10.066 -5.067 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -8.477 -12.155 -5.612 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -8.351 -10.650 -6.501 1.00 0.00 H new ATOM 0 HE ARG A 27 -5.804 -11.971 -6.549 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -9.089 -12.233 -7.816 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -8.581 -13.087 -9.277 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -5.161 -13.069 -8.429 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -6.368 -13.558 -9.623 1.00 0.00 H new ATOM 410 N LEU A 28 -7.047 -13.316 -0.848 1.00 0.00 N ATOM 411 CA LEU A 28 -6.460 -14.189 0.163 1.00 0.00 C ATOM 412 C LEU A 28 -7.509 -15.130 0.746 1.00 0.00 C ATOM 413 O LEU A 28 -7.225 -16.293 1.034 1.00 0.00 O ATOM 414 CB LEU A 28 -5.829 -13.356 1.280 1.00 0.00 C ATOM 415 CG LEU A 28 -6.757 -12.961 2.429 1.00 0.00 C ATOM 416 CD1 LEU A 28 -7.035 -14.157 3.326 1.00 0.00 C ATOM 417 CD2 LEU A 28 -6.153 -11.819 3.234 1.00 0.00 C ATOM 0 H LEU A 28 -7.495 -12.479 -0.474 1.00 0.00 H new ATOM 0 HA LEU A 28 -5.686 -14.789 -0.316 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -4.990 -13.915 1.693 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -5.420 -12.446 0.841 1.00 0.00 H new ATOM 0 HG LEU A 28 -7.703 -12.622 2.006 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -7.697 -13.857 4.138 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -7.510 -14.946 2.743 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -6.097 -14.527 3.740 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -6.827 -11.551 4.048 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -5.194 -12.132 3.646 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -6.005 -10.955 2.586 1.00 0.00 H new ATOM 429 N THR A 29 -8.725 -14.620 0.916 1.00 0.00 N ATOM 430 CA THR A 29 -9.817 -15.414 1.464 1.00 0.00 C ATOM 431 C THR A 29 -10.276 -16.477 0.471 1.00 0.00 C ATOM 432 O THR A 29 -10.844 -17.498 0.859 1.00 0.00 O ATOM 433 CB THR A 29 -11.020 -14.530 1.843 1.00 0.00 C ATOM 434 OG1 THR A 29 -11.919 -15.260 2.685 1.00 0.00 O ATOM 435 CG2 THR A 29 -11.755 -14.054 0.599 1.00 0.00 C ATOM 0 H THR A 29 -8.978 -13.660 0.682 1.00 0.00 H new ATOM 0 HA THR A 29 -9.435 -15.899 2.362 1.00 0.00 H new ATOM 0 HB THR A 29 -10.647 -13.658 2.381 1.00 0.00 H new ATOM 0 HG1 THR A 29 -12.680 -14.690 2.923 1.00 0.00 H new ATOM 0 HG21 THR A 29 -12.601 -13.432 0.892 1.00 0.00 H new ATOM 0 HG22 THR A 29 -11.076 -13.473 -0.025 1.00 0.00 H new ATOM 0 HG23 THR A 29 -12.116 -14.916 0.038 1.00 0.00 H new ATOM 443 N ASP A 30 -10.024 -16.230 -0.810 1.00 0.00 N ATOM 444 CA ASP A 30 -10.410 -17.167 -1.858 1.00 0.00 C ATOM 445 C ASP A 30 -9.252 -18.096 -2.210 1.00 0.00 C ATOM 446 O ASP A 30 -9.434 -19.304 -2.355 1.00 0.00 O ATOM 447 CB ASP A 30 -10.870 -16.410 -3.105 1.00 0.00 C ATOM 448 CG ASP A 30 -11.069 -17.325 -4.298 1.00 0.00 C ATOM 449 OD1 ASP A 30 -11.998 -18.159 -4.256 1.00 0.00 O ATOM 450 OD2 ASP A 30 -10.297 -17.207 -5.272 1.00 0.00 O ATOM 0 H ASP A 30 -9.555 -15.390 -1.147 1.00 0.00 H new ATOM 0 HA ASP A 30 -11.236 -17.771 -1.484 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -11.804 -15.892 -2.888 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -10.133 -15.647 -3.355 1.00 0.00 H new ATOM 455 N SER A 31 -8.061 -17.522 -2.348 1.00 0.00 N ATOM 456 CA SER A 31 -6.873 -18.297 -2.688 1.00 0.00 C ATOM 457 C SER A 31 -6.473 -19.211 -1.534 1.00 0.00 C ATOM 458 O SER A 31 -7.131 -19.242 -0.495 1.00 0.00 O ATOM 459 CB SER A 31 -5.713 -17.364 -3.041 1.00 0.00 C ATOM 460 OG SER A 31 -4.709 -18.051 -3.767 1.00 0.00 O ATOM 0 H SER A 31 -7.893 -16.523 -2.230 1.00 0.00 H new ATOM 0 HA SER A 31 -7.108 -18.916 -3.554 1.00 0.00 H new ATOM 0 HB2 SER A 31 -6.083 -16.525 -3.631 1.00 0.00 H new ATOM 0 HB3 SER A 31 -5.286 -16.948 -2.128 1.00 0.00 H new ATOM 0 HG SER A 31 -3.980 -17.433 -3.982 1.00 0.00 H new ATOM 466 N ASN A 32 -5.388 -19.954 -1.726 1.00 0.00 N ATOM 467 CA ASN A 32 -4.898 -20.871 -0.702 1.00 0.00 C ATOM 468 C ASN A 32 -4.024 -20.137 0.312 1.00 0.00 C ATOM 469 O ASN A 32 -2.981 -20.642 0.729 1.00 0.00 O ATOM 470 CB ASN A 32 -4.106 -22.011 -1.345 1.00 0.00 C ATOM 471 CG ASN A 32 -4.955 -22.848 -2.281 1.00 0.00 C ATOM 472 OD1 ASN A 32 -6.184 -22.787 -2.245 1.00 0.00 O ATOM 473 ND2 ASN A 32 -4.301 -23.637 -3.126 1.00 0.00 N ATOM 0 H ASN A 32 -4.831 -19.939 -2.581 1.00 0.00 H new ATOM 0 HA ASN A 32 -5.759 -21.287 -0.179 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -3.262 -21.597 -1.897 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -3.694 -22.650 -0.564 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -4.819 -24.224 -3.780 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -3.281 -23.656 -3.121 1.00 0.00 H new ATOM 480 N LEU A 33 -4.457 -18.945 0.704 1.00 0.00 N ATOM 481 CA LEU A 33 -3.716 -18.141 1.670 1.00 0.00 C ATOM 482 C LEU A 33 -4.399 -18.160 3.033 1.00 0.00 C ATOM 483 O LEU A 33 -5.624 -18.085 3.127 1.00 0.00 O ATOM 484 CB LEU A 33 -3.586 -16.701 1.171 1.00 0.00 C ATOM 485 CG LEU A 33 -2.548 -16.461 0.074 1.00 0.00 C ATOM 486 CD1 LEU A 33 -2.794 -15.126 -0.611 1.00 0.00 C ATOM 487 CD2 LEU A 33 -1.141 -16.516 0.649 1.00 0.00 C ATOM 0 H LEU A 33 -5.318 -18.513 0.368 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.721 -18.573 1.778 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.558 -16.377 0.800 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.341 -16.064 2.021 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.646 -17.251 -0.670 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.046 -14.973 -1.389 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.788 -15.124 -1.059 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.725 -14.323 0.122 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.416 -16.343 -0.146 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.030 -15.748 1.414 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.967 -17.497 1.092 1.00 0.00 H new ATOM 499 N LYS A 34 -3.599 -18.258 4.089 1.00 0.00 N ATOM 500 CA LYS A 34 -4.125 -18.283 5.449 1.00 0.00 C ATOM 501 C LYS A 34 -3.531 -17.152 6.282 1.00 0.00 C ATOM 502 O LYS A 34 -3.420 -17.260 7.504 1.00 0.00 O ATOM 503 CB LYS A 34 -3.823 -19.630 6.110 1.00 0.00 C ATOM 504 CG LYS A 34 -4.816 -20.721 5.747 1.00 0.00 C ATOM 505 CD LYS A 34 -6.166 -20.487 6.404 1.00 0.00 C ATOM 506 CE LYS A 34 -7.271 -21.257 5.696 1.00 0.00 C ATOM 507 NZ LYS A 34 -8.562 -21.178 6.434 1.00 0.00 N ATOM 0 H LYS A 34 -2.583 -18.321 4.029 1.00 0.00 H new ATOM 0 HA LYS A 34 -5.205 -18.145 5.397 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -2.822 -19.951 5.822 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -3.817 -19.501 7.192 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -4.939 -20.757 4.665 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -4.423 -21.690 6.056 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -6.121 -20.792 7.450 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -6.398 -19.422 6.392 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -7.403 -20.860 4.690 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -6.976 -22.301 5.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -9.289 -21.715 5.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -8.443 -21.580 7.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -8.857 -20.184 6.513 1.00 0.00 H new ATOM 521 N VAL A 35 -3.153 -16.067 5.615 1.00 0.00 N ATOM 522 CA VAL A 35 -2.573 -14.914 6.295 1.00 0.00 C ATOM 523 C VAL A 35 -3.602 -14.227 7.185 1.00 0.00 C ATOM 524 O VAL A 35 -4.802 -14.233 6.909 1.00 0.00 O ATOM 525 CB VAL A 35 -2.016 -13.890 5.288 1.00 0.00 C ATOM 526 CG1 VAL A 35 -1.026 -14.554 4.343 1.00 0.00 C ATOM 527 CG2 VAL A 35 -3.150 -13.236 4.512 1.00 0.00 C ATOM 0 H VAL A 35 -3.238 -15.962 4.604 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.755 -15.288 6.911 1.00 0.00 H new ATOM 0 HB VAL A 35 -1.488 -13.113 5.841 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -0.643 -13.815 3.639 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.199 -14.971 4.917 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -1.526 -15.353 3.795 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.739 -12.515 3.805 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -3.707 -14.000 3.969 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -3.817 -12.724 5.205 1.00 0.00 H new ATOM 537 N PRO A 36 -3.124 -13.619 8.281 1.00 0.00 N ATOM 538 CA PRO A 36 -3.986 -12.914 9.235 1.00 0.00 C ATOM 539 C PRO A 36 -4.564 -11.628 8.654 1.00 0.00 C ATOM 540 O PRO A 36 -3.941 -10.982 7.812 1.00 0.00 O ATOM 541 CB PRO A 36 -3.043 -12.599 10.399 1.00 0.00 C ATOM 542 CG PRO A 36 -1.685 -12.562 9.787 1.00 0.00 C ATOM 543 CD PRO A 36 -1.705 -13.572 8.673 1.00 0.00 C ATOM 0 HA PRO A 36 -4.852 -13.511 9.520 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -3.293 -11.646 10.865 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -3.106 -13.360 11.177 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -1.455 -11.567 9.407 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -0.919 -12.807 10.522 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -1.068 -13.267 7.842 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -1.348 -14.546 9.007 1.00 0.00 H new ATOM 551 N GLU A 37 -5.758 -11.263 9.109 1.00 0.00 N ATOM 552 CA GLU A 37 -6.419 -10.054 8.633 1.00 0.00 C ATOM 553 C GLU A 37 -5.478 -8.855 8.705 1.00 0.00 C ATOM 554 O GLU A 37 -5.584 -7.921 7.910 1.00 0.00 O ATOM 555 CB GLU A 37 -7.679 -9.777 9.456 1.00 0.00 C ATOM 556 CG GLU A 37 -8.399 -8.500 9.056 1.00 0.00 C ATOM 557 CD GLU A 37 -9.201 -7.901 10.195 1.00 0.00 C ATOM 558 OE1 GLU A 37 -10.302 -8.416 10.481 1.00 0.00 O ATOM 559 OE2 GLU A 37 -8.727 -6.917 10.800 1.00 0.00 O ATOM 0 H GLU A 37 -6.287 -11.787 9.806 1.00 0.00 H new ATOM 0 HA GLU A 37 -6.701 -10.211 7.592 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -8.364 -10.618 9.351 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -7.408 -9.716 10.510 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -7.669 -7.770 8.707 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -9.065 -8.710 8.219 1.00 0.00 H new ATOM 566 N GLU A 38 -4.558 -8.889 9.664 1.00 0.00 N ATOM 567 CA GLU A 38 -3.599 -7.805 9.841 1.00 0.00 C ATOM 568 C GLU A 38 -2.631 -7.737 8.663 1.00 0.00 C ATOM 569 O GLU A 38 -2.269 -6.654 8.203 1.00 0.00 O ATOM 570 CB GLU A 38 -2.821 -7.989 11.145 1.00 0.00 C ATOM 571 CG GLU A 38 -2.352 -6.684 11.764 1.00 0.00 C ATOM 572 CD GLU A 38 -1.951 -6.838 13.219 1.00 0.00 C ATOM 573 OE1 GLU A 38 -2.852 -6.838 14.084 1.00 0.00 O ATOM 574 OE2 GLU A 38 -0.739 -6.960 13.491 1.00 0.00 O ATOM 0 H GLU A 38 -4.457 -9.655 10.330 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.154 -6.868 9.888 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -3.450 -8.516 11.862 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.955 -8.623 10.955 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.504 -6.301 11.196 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -3.148 -5.943 11.687 1.00 0.00 H new ATOM 581 N LYS A 39 -2.214 -8.903 8.181 1.00 0.00 N ATOM 582 CA LYS A 39 -1.288 -8.979 7.057 1.00 0.00 C ATOM 583 C LYS A 39 -1.673 -7.985 5.966 1.00 0.00 C ATOM 584 O LYS A 39 -0.932 -7.045 5.680 1.00 0.00 O ATOM 585 CB LYS A 39 -1.264 -10.398 6.484 1.00 0.00 C ATOM 586 CG LYS A 39 -0.590 -10.495 5.127 1.00 0.00 C ATOM 587 CD LYS A 39 0.916 -10.320 5.239 1.00 0.00 C ATOM 588 CE LYS A 39 1.318 -8.859 5.113 1.00 0.00 C ATOM 589 NZ LYS A 39 2.684 -8.707 4.540 1.00 0.00 N ATOM 0 H LYS A 39 -2.503 -9.808 8.551 1.00 0.00 H new ATOM 0 HA LYS A 39 -0.293 -8.724 7.421 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -0.748 -11.055 7.184 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -2.287 -10.764 6.399 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -0.812 -11.463 4.677 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -0.997 -9.733 4.462 1.00 0.00 H new ATOM 0 HD2 LYS A 39 1.259 -10.711 6.197 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.410 -10.903 4.461 1.00 0.00 H new ATOM 0 HE2 LYS A 39 0.599 -8.338 4.481 1.00 0.00 H new ATOM 0 HE3 LYS A 39 1.281 -8.386 6.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 2.736 -7.822 3.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 3.383 -8.682 5.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 2.889 -9.511 3.913 1.00 0.00 H new ATOM 603 N ALA A 40 -2.837 -8.199 5.362 1.00 0.00 N ATOM 604 CA ALA A 40 -3.322 -7.320 4.305 1.00 0.00 C ATOM 605 C ALA A 40 -3.478 -5.889 4.810 1.00 0.00 C ATOM 606 O ALA A 40 -2.857 -4.965 4.285 1.00 0.00 O ATOM 607 CB ALA A 40 -4.645 -7.834 3.756 1.00 0.00 C ATOM 0 H ALA A 40 -3.462 -8.973 5.586 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.585 -7.317 3.502 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -4.995 -7.168 2.968 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -4.506 -8.836 3.349 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.383 -7.867 4.557 1.00 0.00 H new ATOM 613 N ALA A 41 -4.310 -5.714 5.831 1.00 0.00 N ATOM 614 CA ALA A 41 -4.545 -4.396 6.407 1.00 0.00 C ATOM 615 C ALA A 41 -3.238 -3.631 6.581 1.00 0.00 C ATOM 616 O ALA A 41 -3.203 -2.405 6.468 1.00 0.00 O ATOM 617 CB ALA A 41 -5.266 -4.524 7.741 1.00 0.00 C ATOM 0 H ALA A 41 -4.833 -6.468 6.276 1.00 0.00 H new ATOM 0 HA ALA A 41 -5.175 -3.833 5.718 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -5.435 -3.532 8.160 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -6.224 -5.022 7.591 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -4.656 -5.109 8.429 1.00 0.00 H new ATOM 623 N LYS A 42 -2.163 -4.361 6.857 1.00 0.00 N ATOM 624 CA LYS A 42 -0.852 -3.753 7.047 1.00 0.00 C ATOM 625 C LYS A 42 -0.257 -3.316 5.712 1.00 0.00 C ATOM 626 O LYS A 42 0.337 -2.242 5.607 1.00 0.00 O ATOM 627 CB LYS A 42 0.094 -4.736 7.741 1.00 0.00 C ATOM 628 CG LYS A 42 -0.088 -4.793 9.248 1.00 0.00 C ATOM 629 CD LYS A 42 1.023 -5.588 9.914 1.00 0.00 C ATOM 630 CE LYS A 42 2.195 -4.697 10.295 1.00 0.00 C ATOM 631 NZ LYS A 42 3.430 -5.488 10.555 1.00 0.00 N ATOM 0 H LYS A 42 -2.174 -5.376 6.954 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.976 -2.872 7.676 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -0.062 -5.732 7.327 1.00 0.00 H new ATOM 0 HB3 LYS A 42 1.123 -4.456 7.518 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -0.105 -3.781 9.652 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -1.051 -5.246 9.482 1.00 0.00 H new ATOM 0 HD2 LYS A 42 0.635 -6.081 10.805 1.00 0.00 H new ATOM 0 HD3 LYS A 42 1.365 -6.372 9.239 1.00 0.00 H new ATOM 0 HE2 LYS A 42 2.383 -3.982 9.494 1.00 0.00 H new ATOM 0 HE3 LYS A 42 1.939 -4.120 11.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 4.206 -4.845 10.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 3.258 -6.153 11.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 3.689 -6.019 9.699 1.00 0.00 H new ATOM 645 N VAL A 43 -0.421 -4.154 4.693 1.00 0.00 N ATOM 646 CA VAL A 43 0.098 -3.852 3.364 1.00 0.00 C ATOM 647 C VAL A 43 -0.463 -2.535 2.841 1.00 0.00 C ATOM 648 O VAL A 43 0.274 -1.570 2.643 1.00 0.00 O ATOM 649 CB VAL A 43 -0.237 -4.974 2.363 1.00 0.00 C ATOM 650 CG1 VAL A 43 0.281 -4.625 0.977 1.00 0.00 C ATOM 651 CG2 VAL A 43 0.337 -6.300 2.838 1.00 0.00 C ATOM 0 H VAL A 43 -0.909 -5.047 4.762 1.00 0.00 H new ATOM 0 HA VAL A 43 1.181 -3.770 3.458 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.321 -5.074 2.305 1.00 0.00 H new ATOM 0 HG11 VAL A 43 0.035 -5.429 0.284 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -0.183 -3.699 0.638 1.00 0.00 H new ATOM 0 HG13 VAL A 43 1.363 -4.496 1.015 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.091 -7.081 2.119 1.00 0.00 H new ATOM 0 HG22 VAL A 43 1.420 -6.217 2.927 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.088 -6.554 3.809 1.00 0.00 H new ATOM 661 N ALA A 44 -1.773 -2.502 2.620 1.00 0.00 N ATOM 662 CA ALA A 44 -2.434 -1.302 2.123 1.00 0.00 C ATOM 663 C ALA A 44 -1.884 -0.051 2.799 1.00 0.00 C ATOM 664 O ALA A 44 -1.495 0.908 2.132 1.00 0.00 O ATOM 665 CB ALA A 44 -3.938 -1.401 2.335 1.00 0.00 C ATOM 0 H ALA A 44 -2.398 -3.293 2.777 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.233 -1.223 1.055 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -4.419 -0.498 1.959 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -4.325 -2.268 1.799 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -4.149 -1.508 3.399 1.00 0.00 H new ATOM 671 N THR A 45 -1.853 -0.068 4.128 1.00 0.00 N ATOM 672 CA THR A 45 -1.352 1.066 4.895 1.00 0.00 C ATOM 673 C THR A 45 0.025 1.497 4.403 1.00 0.00 C ATOM 674 O THR A 45 0.312 2.690 4.295 1.00 0.00 O ATOM 675 CB THR A 45 -1.267 0.734 6.397 1.00 0.00 C ATOM 676 OG1 THR A 45 -2.578 0.502 6.922 1.00 0.00 O ATOM 677 CG2 THR A 45 -0.601 1.867 7.164 1.00 0.00 C ATOM 0 H THR A 45 -2.169 -0.855 4.695 1.00 0.00 H new ATOM 0 HA THR A 45 -2.059 1.883 4.750 1.00 0.00 H new ATOM 0 HB THR A 45 -0.665 -0.167 6.514 1.00 0.00 H new ATOM 0 HG1 THR A 45 -2.821 -0.438 6.791 1.00 0.00 H new ATOM 0 HG21 THR A 45 -0.552 1.610 8.222 1.00 0.00 H new ATOM 0 HG22 THR A 45 0.408 2.022 6.781 1.00 0.00 H new ATOM 0 HG23 THR A 45 -1.181 2.781 7.039 1.00 0.00 H new ATOM 685 N LYS A 46 0.874 0.520 4.104 1.00 0.00 N ATOM 686 CA LYS A 46 2.221 0.798 3.620 1.00 0.00 C ATOM 687 C LYS A 46 2.185 1.369 2.206 1.00 0.00 C ATOM 688 O LYS A 46 3.117 2.050 1.778 1.00 0.00 O ATOM 689 CB LYS A 46 3.067 -0.478 3.644 1.00 0.00 C ATOM 690 CG LYS A 46 3.471 -0.913 5.042 1.00 0.00 C ATOM 691 CD LYS A 46 3.753 -2.405 5.102 1.00 0.00 C ATOM 692 CE LYS A 46 3.944 -2.879 6.535 1.00 0.00 C ATOM 693 NZ LYS A 46 4.093 -4.358 6.614 1.00 0.00 N ATOM 0 H LYS A 46 0.653 -0.472 4.188 1.00 0.00 H new ATOM 0 HA LYS A 46 2.671 1.539 4.281 1.00 0.00 H new ATOM 0 HB2 LYS A 46 2.507 -1.284 3.169 1.00 0.00 H new ATOM 0 HB3 LYS A 46 3.966 -0.320 3.048 1.00 0.00 H new ATOM 0 HG2 LYS A 46 4.358 -0.361 5.354 1.00 0.00 H new ATOM 0 HG3 LYS A 46 2.677 -0.663 5.746 1.00 0.00 H new ATOM 0 HD2 LYS A 46 2.928 -2.951 4.644 1.00 0.00 H new ATOM 0 HD3 LYS A 46 4.647 -2.631 4.521 1.00 0.00 H new ATOM 0 HE2 LYS A 46 4.827 -2.402 6.961 1.00 0.00 H new ATOM 0 HE3 LYS A 46 3.091 -2.567 7.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 4.221 -4.641 7.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 3.240 -4.814 6.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 4.922 -4.653 6.060 1.00 0.00 H new ATOM 707 N ILE A 47 1.103 1.090 1.488 1.00 0.00 N ATOM 708 CA ILE A 47 0.945 1.579 0.124 1.00 0.00 C ATOM 709 C ILE A 47 0.741 3.090 0.102 1.00 0.00 C ATOM 710 O ILE A 47 1.434 3.809 -0.617 1.00 0.00 O ATOM 711 CB ILE A 47 -0.244 0.901 -0.583 1.00 0.00 C ATOM 712 CG1 ILE A 47 -0.103 -0.621 -0.519 1.00 0.00 C ATOM 713 CG2 ILE A 47 -0.337 1.369 -2.028 1.00 0.00 C ATOM 714 CD1 ILE A 47 1.085 -1.152 -1.289 1.00 0.00 C ATOM 0 H ILE A 47 0.323 0.528 1.828 1.00 0.00 H new ATOM 0 HA ILE A 47 1.863 1.331 -0.409 1.00 0.00 H new ATOM 0 HB ILE A 47 -1.163 1.184 -0.069 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -0.015 -0.926 0.524 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -1.012 -1.078 -0.909 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -1.182 0.881 -2.515 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -0.478 2.450 -2.052 1.00 0.00 H new ATOM 0 HG23 ILE A 47 0.583 1.112 -2.554 1.00 0.00 H new ATOM 0 HD11 ILE A 47 1.121 -2.238 -1.199 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.989 -0.878 -2.340 1.00 0.00 H new ATOM 0 HD13 ILE A 47 2.002 -0.723 -0.884 1.00 0.00 H new ATOM 726 N GLU A 48 -0.214 3.564 0.895 1.00 0.00 N ATOM 727 CA GLU A 48 -0.509 4.990 0.967 1.00 0.00 C ATOM 728 C GLU A 48 0.655 5.755 1.592 1.00 0.00 C ATOM 729 O GLU A 48 1.235 6.645 0.969 1.00 0.00 O ATOM 730 CB GLU A 48 -1.785 5.230 1.777 1.00 0.00 C ATOM 731 CG GLU A 48 -3.040 4.699 1.105 1.00 0.00 C ATOM 732 CD GLU A 48 -2.895 3.260 0.652 1.00 0.00 C ATOM 733 OE1 GLU A 48 -2.362 3.036 -0.455 1.00 0.00 O ATOM 734 OE2 GLU A 48 -3.315 2.356 1.405 1.00 0.00 O ATOM 0 H GLU A 48 -0.797 2.982 1.497 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.659 5.356 -0.049 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.679 4.759 2.754 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -1.900 6.300 1.950 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -3.878 4.775 1.798 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -3.279 5.324 0.245 1.00 0.00 H new ATOM 741 N LYS A 49 0.990 5.402 2.829 1.00 0.00 N ATOM 742 CA LYS A 49 2.084 6.053 3.540 1.00 0.00 C ATOM 743 C LYS A 49 3.247 6.348 2.598 1.00 0.00 C ATOM 744 O LYS A 49 3.955 7.341 2.764 1.00 0.00 O ATOM 745 CB LYS A 49 2.562 5.174 4.697 1.00 0.00 C ATOM 746 CG LYS A 49 3.667 4.206 4.310 1.00 0.00 C ATOM 747 CD LYS A 49 4.140 3.393 5.503 1.00 0.00 C ATOM 748 CE LYS A 49 4.916 4.252 6.491 1.00 0.00 C ATOM 749 NZ LYS A 49 5.256 3.501 7.731 1.00 0.00 N ATOM 0 H LYS A 49 0.519 4.669 3.359 1.00 0.00 H new ATOM 0 HA LYS A 49 1.714 6.998 3.938 1.00 0.00 H new ATOM 0 HB2 LYS A 49 2.917 5.813 5.505 1.00 0.00 H new ATOM 0 HB3 LYS A 49 1.715 4.609 5.087 1.00 0.00 H new ATOM 0 HG2 LYS A 49 3.307 3.534 3.531 1.00 0.00 H new ATOM 0 HG3 LYS A 49 4.507 4.760 3.890 1.00 0.00 H new ATOM 0 HD2 LYS A 49 3.281 2.946 6.004 1.00 0.00 H new ATOM 0 HD3 LYS A 49 4.770 2.573 5.159 1.00 0.00 H new ATOM 0 HE2 LYS A 49 5.832 4.609 6.020 1.00 0.00 H new ATOM 0 HE3 LYS A 49 4.326 5.131 6.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 5.784 4.121 8.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 4.381 3.181 8.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 5.840 2.676 7.488 1.00 0.00 H new ATOM 763 N GLU A 50 3.436 5.480 1.609 1.00 0.00 N ATOM 764 CA GLU A 50 4.513 5.649 0.641 1.00 0.00 C ATOM 765 C GLU A 50 4.062 6.520 -0.528 1.00 0.00 C ATOM 766 O GLU A 50 4.770 7.439 -0.942 1.00 0.00 O ATOM 767 CB GLU A 50 4.984 4.288 0.124 1.00 0.00 C ATOM 768 CG GLU A 50 6.378 4.314 -0.478 1.00 0.00 C ATOM 769 CD GLU A 50 6.719 5.654 -1.101 1.00 0.00 C ATOM 770 OE1 GLU A 50 6.368 5.865 -2.281 1.00 0.00 O ATOM 771 OE2 GLU A 50 7.337 6.490 -0.410 1.00 0.00 O ATOM 0 H GLU A 50 2.858 4.654 1.457 1.00 0.00 H new ATOM 0 HA GLU A 50 5.343 6.146 1.144 1.00 0.00 H new ATOM 0 HB2 GLU A 50 4.965 3.571 0.945 1.00 0.00 H new ATOM 0 HB3 GLU A 50 4.280 3.931 -0.627 1.00 0.00 H new ATOM 0 HG2 GLU A 50 7.109 4.081 0.297 1.00 0.00 H new ATOM 0 HG3 GLU A 50 6.457 3.534 -1.236 1.00 0.00 H new ATOM 778 N LEU A 51 2.879 6.225 -1.056 1.00 0.00 N ATOM 779 CA LEU A 51 2.332 6.981 -2.178 1.00 0.00 C ATOM 780 C LEU A 51 2.069 8.430 -1.782 1.00 0.00 C ATOM 781 O LEU A 51 2.657 9.355 -2.342 1.00 0.00 O ATOM 782 CB LEU A 51 1.038 6.332 -2.672 1.00 0.00 C ATOM 783 CG LEU A 51 0.729 6.501 -4.160 1.00 0.00 C ATOM 784 CD1 LEU A 51 1.477 5.464 -4.983 1.00 0.00 C ATOM 785 CD2 LEU A 51 -0.770 6.401 -4.408 1.00 0.00 C ATOM 0 H LEU A 51 2.280 5.468 -0.726 1.00 0.00 H new ATOM 0 HA LEU A 51 3.067 6.972 -2.983 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.081 5.266 -2.449 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.207 6.744 -2.100 1.00 0.00 H new ATOM 0 HG LEU A 51 1.064 7.491 -4.470 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.244 5.601 -6.039 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.550 5.582 -4.830 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.174 4.464 -4.671 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.972 6.524 -5.472 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.129 5.425 -4.081 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.284 7.183 -3.849 1.00 0.00 H new ATOM 797 N PHE A 52 1.182 8.620 -0.810 1.00 0.00 N ATOM 798 CA PHE A 52 0.841 9.957 -0.338 1.00 0.00 C ATOM 799 C PHE A 52 2.100 10.772 -0.055 1.00 0.00 C ATOM 800 O PHE A 52 2.078 12.002 -0.091 1.00 0.00 O ATOM 801 CB PHE A 52 -0.018 9.871 0.925 1.00 0.00 C ATOM 802 CG PHE A 52 -0.445 11.211 1.452 1.00 0.00 C ATOM 803 CD1 PHE A 52 -1.141 12.098 0.646 1.00 0.00 C ATOM 804 CD2 PHE A 52 -0.150 11.584 2.754 1.00 0.00 C ATOM 805 CE1 PHE A 52 -1.536 13.332 1.128 1.00 0.00 C ATOM 806 CE2 PHE A 52 -0.543 12.817 3.241 1.00 0.00 C ATOM 807 CZ PHE A 52 -1.235 13.692 2.427 1.00 0.00 C ATOM 0 H PHE A 52 0.687 7.866 -0.334 1.00 0.00 H new ATOM 0 HA PHE A 52 0.274 10.458 -1.122 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.905 9.274 0.712 1.00 0.00 H new ATOM 0 HB3 PHE A 52 0.541 9.346 1.700 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -1.378 11.822 -0.371 1.00 0.00 H new ATOM 0 HD2 PHE A 52 0.392 10.905 3.395 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -2.079 14.013 0.490 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -0.309 13.096 4.258 1.00 0.00 H new ATOM 0 HZ PHE A 52 -1.540 14.656 2.806 1.00 0.00 H new ATOM 817 N SER A 53 3.197 10.076 0.226 1.00 0.00 N ATOM 818 CA SER A 53 4.465 10.733 0.519 1.00 0.00 C ATOM 819 C SER A 53 5.192 11.111 -0.768 1.00 0.00 C ATOM 820 O SER A 53 5.475 12.284 -1.013 1.00 0.00 O ATOM 821 CB SER A 53 5.352 9.822 1.370 1.00 0.00 C ATOM 822 OG SER A 53 6.541 10.487 1.760 1.00 0.00 O ATOM 0 H SER A 53 3.233 9.057 0.257 1.00 0.00 H new ATOM 0 HA SER A 53 4.252 11.645 1.077 1.00 0.00 H new ATOM 0 HB2 SER A 53 4.804 9.500 2.256 1.00 0.00 H new ATOM 0 HB3 SER A 53 5.602 8.923 0.806 1.00 0.00 H new ATOM 0 HG SER A 53 7.090 9.884 2.304 1.00 0.00 H new ATOM 828 N PHE A 54 5.490 10.109 -1.588 1.00 0.00 N ATOM 829 CA PHE A 54 6.184 10.334 -2.850 1.00 0.00 C ATOM 830 C PHE A 54 5.479 11.407 -3.675 1.00 0.00 C ATOM 831 O PHE A 54 6.123 12.217 -4.342 1.00 0.00 O ATOM 832 CB PHE A 54 6.267 9.033 -3.651 1.00 0.00 C ATOM 833 CG PHE A 54 7.248 9.089 -4.787 1.00 0.00 C ATOM 834 CD1 PHE A 54 8.560 9.478 -4.568 1.00 0.00 C ATOM 835 CD2 PHE A 54 6.858 8.753 -6.073 1.00 0.00 C ATOM 836 CE1 PHE A 54 9.464 9.531 -5.612 1.00 0.00 C ATOM 837 CE2 PHE A 54 7.758 8.804 -7.121 1.00 0.00 C ATOM 838 CZ PHE A 54 9.063 9.193 -6.890 1.00 0.00 C ATOM 0 H PHE A 54 5.262 9.133 -1.401 1.00 0.00 H new ATOM 0 HA PHE A 54 7.193 10.678 -2.624 1.00 0.00 H new ATOM 0 HB2 PHE A 54 6.546 8.220 -2.980 1.00 0.00 H new ATOM 0 HB3 PHE A 54 5.279 8.795 -4.046 1.00 0.00 H new ATOM 0 HD1 PHE A 54 8.879 9.743 -3.571 1.00 0.00 H new ATOM 0 HD2 PHE A 54 5.839 8.448 -6.259 1.00 0.00 H new ATOM 0 HE1 PHE A 54 10.484 9.837 -5.429 1.00 0.00 H new ATOM 0 HE2 PHE A 54 7.441 8.540 -8.119 1.00 0.00 H new ATOM 0 HZ PHE A 54 9.768 9.233 -7.707 1.00 0.00 H new ATOM 848 N PHE A 55 4.151 11.406 -3.624 1.00 0.00 N ATOM 849 CA PHE A 55 3.357 12.378 -4.367 1.00 0.00 C ATOM 850 C PHE A 55 3.112 13.632 -3.533 1.00 0.00 C ATOM 851 O PHE A 55 2.813 14.699 -4.069 1.00 0.00 O ATOM 852 CB PHE A 55 2.021 11.762 -4.788 1.00 0.00 C ATOM 853 CG PHE A 55 2.131 10.837 -5.966 1.00 0.00 C ATOM 854 CD1 PHE A 55 2.656 9.563 -5.817 1.00 0.00 C ATOM 855 CD2 PHE A 55 1.711 11.242 -7.223 1.00 0.00 C ATOM 856 CE1 PHE A 55 2.759 8.711 -6.900 1.00 0.00 C ATOM 857 CE2 PHE A 55 1.811 10.394 -8.309 1.00 0.00 C ATOM 858 CZ PHE A 55 2.335 9.126 -8.148 1.00 0.00 C ATOM 0 H PHE A 55 3.602 10.743 -3.076 1.00 0.00 H new ATOM 0 HA PHE A 55 3.916 12.660 -5.259 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.601 11.214 -3.944 1.00 0.00 H new ATOM 0 HB3 PHE A 55 1.321 12.562 -5.029 1.00 0.00 H new ATOM 0 HD1 PHE A 55 2.988 9.233 -4.844 1.00 0.00 H new ATOM 0 HD2 PHE A 55 1.301 12.232 -7.355 1.00 0.00 H new ATOM 0 HE1 PHE A 55 3.171 7.721 -6.771 1.00 0.00 H new ATOM 0 HE2 PHE A 55 1.480 10.722 -9.283 1.00 0.00 H new ATOM 0 HZ PHE A 55 2.413 8.461 -8.995 1.00 0.00 H new ATOM 868 N ARG A 56 3.239 13.494 -2.217 1.00 0.00 N ATOM 869 CA ARG A 56 3.030 14.614 -1.307 1.00 0.00 C ATOM 870 C ARG A 56 1.805 15.426 -1.718 1.00 0.00 C ATOM 871 O ARG A 56 1.748 16.636 -1.497 1.00 0.00 O ATOM 872 CB ARG A 56 4.266 15.514 -1.280 1.00 0.00 C ATOM 873 CG ARG A 56 4.706 15.988 -2.655 1.00 0.00 C ATOM 874 CD ARG A 56 5.918 16.902 -2.569 1.00 0.00 C ATOM 875 NE ARG A 56 7.138 16.164 -2.252 1.00 0.00 N ATOM 876 CZ ARG A 56 8.337 16.729 -2.167 1.00 0.00 C ATOM 877 NH1 ARG A 56 8.476 18.031 -2.372 1.00 0.00 N ATOM 878 NH2 ARG A 56 9.400 15.991 -1.874 1.00 0.00 N ATOM 0 H ARG A 56 3.486 12.618 -1.757 1.00 0.00 H new ATOM 0 HA ARG A 56 2.860 14.212 -0.308 1.00 0.00 H new ATOM 0 HB2 ARG A 56 4.059 16.383 -0.655 1.00 0.00 H new ATOM 0 HB3 ARG A 56 5.088 14.973 -0.811 1.00 0.00 H new ATOM 0 HG2 ARG A 56 4.943 15.126 -3.279 1.00 0.00 H new ATOM 0 HG3 ARG A 56 3.884 16.516 -3.139 1.00 0.00 H new ATOM 0 HD2 ARG A 56 6.046 17.424 -3.517 1.00 0.00 H new ATOM 0 HD3 ARG A 56 5.746 17.662 -1.807 1.00 0.00 H new ATOM 0 HE ARG A 56 7.065 15.160 -2.087 1.00 0.00 H new ATOM 0 HH11 ARG A 56 7.661 18.602 -2.596 1.00 0.00 H new ATOM 0 HH12 ARG A 56 9.398 18.462 -2.306 1.00 0.00 H new ATOM 0 HH21 ARG A 56 9.297 14.989 -1.714 1.00 0.00 H new ATOM 0 HH22 ARG A 56 10.320 16.426 -1.809 1.00 0.00 H new ATOM 892 N ASP A 57 0.829 14.753 -2.318 1.00 0.00 N ATOM 893 CA ASP A 57 -0.394 15.412 -2.760 1.00 0.00 C ATOM 894 C ASP A 57 -1.395 14.395 -3.299 1.00 0.00 C ATOM 895 O ASP A 57 -1.013 13.338 -3.803 1.00 0.00 O ATOM 896 CB ASP A 57 -0.079 16.455 -3.834 1.00 0.00 C ATOM 897 CG ASP A 57 0.132 15.833 -5.200 1.00 0.00 C ATOM 898 OD1 ASP A 57 0.685 14.715 -5.265 1.00 0.00 O ATOM 899 OD2 ASP A 57 -0.258 16.463 -6.205 1.00 0.00 O ATOM 0 H ASP A 57 0.861 13.752 -2.509 1.00 0.00 H new ATOM 0 HA ASP A 57 -0.839 15.912 -1.899 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -0.896 17.175 -3.888 1.00 0.00 H new ATOM 0 HB3 ASP A 57 0.815 17.008 -3.548 1.00 0.00 H new ATOM 904 N THR A 58 -2.679 14.720 -3.190 1.00 0.00 N ATOM 905 CA THR A 58 -3.735 13.834 -3.664 1.00 0.00 C ATOM 906 C THR A 58 -4.313 14.326 -4.986 1.00 0.00 C ATOM 907 O THR A 58 -5.530 14.361 -5.168 1.00 0.00 O ATOM 908 CB THR A 58 -4.873 13.714 -2.633 1.00 0.00 C ATOM 909 OG1 THR A 58 -5.236 15.013 -2.150 1.00 0.00 O ATOM 910 CG2 THR A 58 -4.455 12.832 -1.466 1.00 0.00 C ATOM 0 H THR A 58 -3.013 15.591 -2.777 1.00 0.00 H new ATOM 0 HA THR A 58 -3.282 12.853 -3.810 1.00 0.00 H new ATOM 0 HB THR A 58 -5.732 13.257 -3.124 1.00 0.00 H new ATOM 0 HG1 THR A 58 -6.186 15.019 -1.909 1.00 0.00 H new ATOM 0 HG21 THR A 58 -5.275 12.762 -0.751 1.00 0.00 H new ATOM 0 HG22 THR A 58 -4.208 11.836 -1.833 1.00 0.00 H new ATOM 0 HG23 THR A 58 -3.583 13.265 -0.977 1.00 0.00 H new ATOM 918 N ASP A 59 -3.433 14.706 -5.906 1.00 0.00 N ATOM 919 CA ASP A 59 -3.856 15.194 -7.214 1.00 0.00 C ATOM 920 C ASP A 59 -4.126 14.034 -8.166 1.00 0.00 C ATOM 921 O ASP A 59 -3.781 12.888 -7.878 1.00 0.00 O ATOM 922 CB ASP A 59 -2.790 16.118 -7.805 1.00 0.00 C ATOM 923 CG ASP A 59 -3.330 16.977 -8.933 1.00 0.00 C ATOM 924 OD1 ASP A 59 -4.563 17.164 -8.997 1.00 0.00 O ATOM 925 OD2 ASP A 59 -2.520 17.460 -9.751 1.00 0.00 O ATOM 0 H ASP A 59 -2.422 14.686 -5.770 1.00 0.00 H new ATOM 0 HA ASP A 59 -4.781 15.755 -7.084 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -2.395 16.762 -7.019 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -1.958 15.519 -8.175 1.00 0.00 H new ATOM 930 N ALA A 60 -4.747 14.339 -9.301 1.00 0.00 N ATOM 931 CA ALA A 60 -5.063 13.322 -10.296 1.00 0.00 C ATOM 932 C ALA A 60 -3.957 12.275 -10.381 1.00 0.00 C ATOM 933 O ALA A 60 -4.215 11.075 -10.284 1.00 0.00 O ATOM 934 CB ALA A 60 -5.289 13.966 -11.656 1.00 0.00 C ATOM 0 H ALA A 60 -5.041 15.282 -9.554 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.980 12.820 -9.988 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -5.524 13.195 -12.389 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -6.118 14.670 -11.592 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -4.387 14.495 -11.963 1.00 0.00 H new ATOM 940 N LYS A 61 -2.725 12.737 -10.565 1.00 0.00 N ATOM 941 CA LYS A 61 -1.578 11.841 -10.663 1.00 0.00 C ATOM 942 C LYS A 61 -1.614 10.788 -9.560 1.00 0.00 C ATOM 943 O LYS A 61 -1.760 9.596 -9.831 1.00 0.00 O ATOM 944 CB LYS A 61 -0.274 12.638 -10.580 1.00 0.00 C ATOM 945 CG LYS A 61 -0.206 13.796 -11.559 1.00 0.00 C ATOM 946 CD LYS A 61 1.215 14.313 -11.714 1.00 0.00 C ATOM 947 CE LYS A 61 1.526 15.401 -10.698 1.00 0.00 C ATOM 948 NZ LYS A 61 2.671 16.251 -11.128 1.00 0.00 N ATOM 0 H LYS A 61 -2.495 13.727 -10.649 1.00 0.00 H new ATOM 0 HA LYS A 61 -1.626 11.334 -11.627 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -0.157 13.022 -9.567 1.00 0.00 H new ATOM 0 HB3 LYS A 61 0.565 11.967 -10.765 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -0.586 13.476 -12.529 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -0.852 14.603 -11.214 1.00 0.00 H new ATOM 0 HD2 LYS A 61 1.918 13.489 -11.593 1.00 0.00 H new ATOM 0 HD3 LYS A 61 1.353 14.705 -12.722 1.00 0.00 H new ATOM 0 HE2 LYS A 61 0.644 16.025 -10.553 1.00 0.00 H new ATOM 0 HE3 LYS A 61 1.754 14.944 -9.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 2.851 16.980 -10.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 3.519 15.660 -11.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 2.443 16.707 -12.034 1.00 0.00 H new ATOM 962 N TYR A 62 -1.483 11.236 -8.316 1.00 0.00 N ATOM 963 CA TYR A 62 -1.500 10.332 -7.173 1.00 0.00 C ATOM 964 C TYR A 62 -2.478 9.184 -7.400 1.00 0.00 C ATOM 965 O TYR A 62 -2.166 8.023 -7.132 1.00 0.00 O ATOM 966 CB TYR A 62 -1.876 11.093 -5.900 1.00 0.00 C ATOM 967 CG TYR A 62 -2.257 10.192 -4.747 1.00 0.00 C ATOM 968 CD1 TYR A 62 -3.563 9.747 -4.590 1.00 0.00 C ATOM 969 CD2 TYR A 62 -1.310 9.786 -3.814 1.00 0.00 C ATOM 970 CE1 TYR A 62 -3.916 8.925 -3.537 1.00 0.00 C ATOM 971 CE2 TYR A 62 -1.653 8.963 -2.759 1.00 0.00 C ATOM 972 CZ TYR A 62 -2.957 8.535 -2.625 1.00 0.00 C ATOM 973 OH TYR A 62 -3.304 7.716 -1.575 1.00 0.00 O ATOM 0 H TYR A 62 -1.364 12.220 -8.074 1.00 0.00 H new ATOM 0 HA TYR A 62 -0.500 9.915 -7.057 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -1.036 11.719 -5.599 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -2.709 11.761 -6.119 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -4.316 10.049 -5.303 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -0.288 10.120 -3.916 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -4.937 8.590 -3.428 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -0.904 8.657 -2.043 1.00 0.00 H new ATOM 0 HH TYR A 62 -2.513 7.535 -1.026 1.00 0.00 H new ATOM 983 N LYS A 63 -3.664 9.516 -7.898 1.00 0.00 N ATOM 984 CA LYS A 63 -4.690 8.514 -8.165 1.00 0.00 C ATOM 985 C LYS A 63 -4.272 7.600 -9.312 1.00 0.00 C ATOM 986 O LYS A 63 -4.204 6.382 -9.153 1.00 0.00 O ATOM 987 CB LYS A 63 -6.020 9.193 -8.499 1.00 0.00 C ATOM 988 CG LYS A 63 -6.567 10.048 -7.369 1.00 0.00 C ATOM 989 CD LYS A 63 -7.644 11.000 -7.861 1.00 0.00 C ATOM 990 CE LYS A 63 -8.621 11.358 -6.751 1.00 0.00 C ATOM 991 NZ LYS A 63 -9.829 12.052 -7.277 1.00 0.00 N ATOM 0 H LYS A 63 -3.939 10.472 -8.125 1.00 0.00 H new ATOM 0 HA LYS A 63 -4.813 7.908 -7.267 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -5.888 9.816 -9.384 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -6.755 8.429 -8.754 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -6.977 9.405 -6.590 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -5.755 10.618 -6.917 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -7.180 11.908 -8.246 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -8.185 10.543 -8.690 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -8.923 10.451 -6.227 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -8.124 11.997 -6.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -10.469 12.279 -6.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -9.544 12.930 -7.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -10.318 11.432 -7.954 1.00 0.00 H new ATOM 1005 N ASN A 64 -3.992 8.196 -10.466 1.00 0.00 N ATOM 1006 CA ASN A 64 -3.579 7.434 -11.639 1.00 0.00 C ATOM 1007 C ASN A 64 -2.677 6.270 -11.242 1.00 0.00 C ATOM 1008 O ASN A 64 -2.820 5.157 -11.750 1.00 0.00 O ATOM 1009 CB ASN A 64 -2.852 8.342 -12.633 1.00 0.00 C ATOM 1010 CG ASN A 64 -2.278 7.572 -13.807 1.00 0.00 C ATOM 1011 OD1 ASN A 64 -2.953 7.361 -14.814 1.00 0.00 O ATOM 1012 ND2 ASN A 64 -1.025 7.149 -13.681 1.00 0.00 N ATOM 0 H ASN A 64 -4.043 9.204 -10.614 1.00 0.00 H new ATOM 0 HA ASN A 64 -4.474 7.031 -12.113 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -3.544 9.099 -13.002 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -2.048 8.868 -12.119 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -0.585 6.626 -14.438 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -0.503 7.347 -12.827 1.00 0.00 H new ATOM 1019 N LYS A 65 -1.746 6.534 -10.331 1.00 0.00 N ATOM 1020 CA LYS A 65 -0.820 5.509 -9.864 1.00 0.00 C ATOM 1021 C LYS A 65 -1.531 4.506 -8.960 1.00 0.00 C ATOM 1022 O LYS A 65 -1.406 3.295 -9.143 1.00 0.00 O ATOM 1023 CB LYS A 65 0.347 6.152 -9.111 1.00 0.00 C ATOM 1024 CG LYS A 65 1.289 5.145 -8.475 1.00 0.00 C ATOM 1025 CD LYS A 65 1.989 4.297 -9.524 1.00 0.00 C ATOM 1026 CE LYS A 65 3.145 5.048 -10.167 1.00 0.00 C ATOM 1027 NZ LYS A 65 4.391 4.946 -9.358 1.00 0.00 N ATOM 0 H LYS A 65 -1.613 7.450 -9.901 1.00 0.00 H new ATOM 0 HA LYS A 65 -0.434 4.978 -10.735 1.00 0.00 H new ATOM 0 HB2 LYS A 65 0.911 6.780 -9.800 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -0.049 6.807 -8.335 1.00 0.00 H new ATOM 0 HG2 LYS A 65 2.032 5.669 -7.874 1.00 0.00 H new ATOM 0 HG3 LYS A 65 0.730 4.499 -7.798 1.00 0.00 H new ATOM 0 HD2 LYS A 65 2.360 3.381 -9.065 1.00 0.00 H new ATOM 0 HD3 LYS A 65 1.274 4.002 -10.292 1.00 0.00 H new ATOM 0 HE2 LYS A 65 3.326 4.650 -11.165 1.00 0.00 H new ATOM 0 HE3 LYS A 65 2.875 6.097 -10.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 5.216 5.111 -9.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 4.373 5.659 -8.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 4.455 3.997 -8.938 1.00 0.00 H new ATOM 1041 N TYR A 66 -2.275 5.017 -7.986 1.00 0.00 N ATOM 1042 CA TYR A 66 -3.005 4.166 -7.054 1.00 0.00 C ATOM 1043 C TYR A 66 -3.897 3.179 -7.801 1.00 0.00 C ATOM 1044 O TYR A 66 -3.743 1.965 -7.672 1.00 0.00 O ATOM 1045 CB TYR A 66 -3.850 5.019 -6.106 1.00 0.00 C ATOM 1046 CG TYR A 66 -5.098 4.321 -5.615 1.00 0.00 C ATOM 1047 CD1 TYR A 66 -5.018 3.134 -4.898 1.00 0.00 C ATOM 1048 CD2 TYR A 66 -6.358 4.849 -5.870 1.00 0.00 C ATOM 1049 CE1 TYR A 66 -6.156 2.493 -4.448 1.00 0.00 C ATOM 1050 CE2 TYR A 66 -7.501 4.215 -5.422 1.00 0.00 C ATOM 1051 CZ TYR A 66 -7.395 3.038 -4.712 1.00 0.00 C ATOM 1052 OH TYR A 66 -8.531 2.403 -4.266 1.00 0.00 O ATOM 0 H TYR A 66 -2.389 6.017 -7.821 1.00 0.00 H new ATOM 0 HA TYR A 66 -2.277 3.601 -6.472 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -3.242 5.305 -5.248 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -4.135 5.940 -6.615 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -4.049 2.705 -4.689 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -6.445 5.770 -6.427 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -6.076 1.570 -3.893 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -8.473 4.639 -5.627 1.00 0.00 H new ATOM 0 HH TYR A 66 -9.320 2.918 -4.535 1.00 0.00 H new ATOM 1062 N ARG A 67 -4.830 3.711 -8.584 1.00 0.00 N ATOM 1063 CA ARG A 67 -5.748 2.879 -9.352 1.00 0.00 C ATOM 1064 C ARG A 67 -4.989 1.812 -10.135 1.00 0.00 C ATOM 1065 O ARG A 67 -5.411 0.657 -10.200 1.00 0.00 O ATOM 1066 CB ARG A 67 -6.571 3.741 -10.310 1.00 0.00 C ATOM 1067 CG ARG A 67 -5.744 4.397 -11.404 1.00 0.00 C ATOM 1068 CD ARG A 67 -6.605 5.259 -12.313 1.00 0.00 C ATOM 1069 NE ARG A 67 -5.917 5.601 -13.555 1.00 0.00 N ATOM 1070 CZ ARG A 67 -5.696 4.732 -14.536 1.00 0.00 C ATOM 1071 NH1 ARG A 67 -6.106 3.476 -14.418 1.00 0.00 N ATOM 1072 NH2 ARG A 67 -5.063 5.118 -15.636 1.00 0.00 N ATOM 0 H ARG A 67 -4.970 4.714 -8.703 1.00 0.00 H new ATOM 0 HA ARG A 67 -6.420 2.382 -8.652 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -7.342 3.123 -10.770 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -7.083 4.516 -9.739 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -4.963 5.009 -10.953 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -5.246 3.629 -11.995 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -7.530 4.731 -12.544 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -6.883 6.173 -11.789 1.00 0.00 H new ATOM 0 HE ARG A 67 -5.588 6.559 -13.676 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -6.592 3.175 -13.573 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -5.935 2.811 -15.172 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -4.745 6.083 -15.730 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -4.894 4.450 -16.388 1.00 0.00 H new ATOM 1086 N SER A 68 -3.867 2.207 -10.729 1.00 0.00 N ATOM 1087 CA SER A 68 -3.052 1.286 -11.512 1.00 0.00 C ATOM 1088 C SER A 68 -2.477 0.183 -10.627 1.00 0.00 C ATOM 1089 O SER A 68 -2.546 -0.999 -10.965 1.00 0.00 O ATOM 1090 CB SER A 68 -1.917 2.041 -12.207 1.00 0.00 C ATOM 1091 OG SER A 68 -1.366 1.273 -13.263 1.00 0.00 O ATOM 0 H SER A 68 -3.502 3.158 -10.683 1.00 0.00 H new ATOM 0 HA SER A 68 -3.690 0.827 -12.267 1.00 0.00 H new ATOM 0 HB2 SER A 68 -2.291 2.987 -12.598 1.00 0.00 H new ATOM 0 HB3 SER A 68 -1.138 2.281 -11.483 1.00 0.00 H new ATOM 0 HG SER A 68 -0.644 1.778 -13.692 1.00 0.00 H new ATOM 1097 N LEU A 69 -1.910 0.579 -9.493 1.00 0.00 N ATOM 1098 CA LEU A 69 -1.323 -0.375 -8.558 1.00 0.00 C ATOM 1099 C LEU A 69 -2.371 -1.363 -8.058 1.00 0.00 C ATOM 1100 O LEU A 69 -2.091 -2.551 -7.896 1.00 0.00 O ATOM 1101 CB LEU A 69 -0.695 0.363 -7.374 1.00 0.00 C ATOM 1102 CG LEU A 69 0.517 1.238 -7.695 1.00 0.00 C ATOM 1103 CD1 LEU A 69 1.318 1.523 -6.434 1.00 0.00 C ATOM 1104 CD2 LEU A 69 1.393 0.572 -8.746 1.00 0.00 C ATOM 0 H LEU A 69 -1.844 1.553 -9.199 1.00 0.00 H new ATOM 0 HA LEU A 69 -0.548 -0.932 -9.084 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.460 0.990 -6.916 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.398 -0.374 -6.628 1.00 0.00 H new ATOM 0 HG LEU A 69 0.160 2.186 -8.097 1.00 0.00 H new ATOM 0 HD11 LEU A 69 2.177 2.147 -6.682 1.00 0.00 H new ATOM 0 HD12 LEU A 69 0.688 2.043 -5.712 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.664 0.584 -6.003 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.251 1.209 -8.962 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.741 -0.391 -8.372 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.815 0.420 -9.658 1.00 0.00 H new ATOM 1116 N MET A 70 -3.579 -0.865 -7.817 1.00 0.00 N ATOM 1117 CA MET A 70 -4.670 -1.706 -7.339 1.00 0.00 C ATOM 1118 C MET A 70 -5.432 -2.326 -8.507 1.00 0.00 C ATOM 1119 O MET A 70 -6.219 -3.255 -8.325 1.00 0.00 O ATOM 1120 CB MET A 70 -5.627 -0.890 -6.467 1.00 0.00 C ATOM 1121 CG MET A 70 -6.756 -0.239 -7.249 1.00 0.00 C ATOM 1122 SD MET A 70 -8.214 -1.293 -7.373 1.00 0.00 S ATOM 1123 CE MET A 70 -8.759 -1.319 -5.667 1.00 0.00 C ATOM 0 H MET A 70 -3.827 0.116 -7.945 1.00 0.00 H new ATOM 0 HA MET A 70 -4.240 -2.510 -6.741 1.00 0.00 H new ATOM 0 HB2 MET A 70 -6.053 -1.540 -5.703 1.00 0.00 H new ATOM 0 HB3 MET A 70 -5.062 -0.116 -5.948 1.00 0.00 H new ATOM 0 HG2 MET A 70 -7.031 0.700 -6.768 1.00 0.00 H new ATOM 0 HG3 MET A 70 -6.404 0.007 -8.251 1.00 0.00 H new ATOM 0 HE1 MET A 70 -9.542 -2.068 -5.547 1.00 0.00 H new ATOM 0 HE2 MET A 70 -7.918 -1.567 -5.020 1.00 0.00 H new ATOM 0 HE3 MET A 70 -9.149 -0.338 -5.395 1.00 0.00 H new ATOM 1133 N PHE A 71 -5.192 -1.805 -9.706 1.00 0.00 N ATOM 1134 CA PHE A 71 -5.856 -2.306 -10.903 1.00 0.00 C ATOM 1135 C PHE A 71 -5.408 -3.731 -11.218 1.00 0.00 C ATOM 1136 O PHE A 71 -6.230 -4.608 -11.478 1.00 0.00 O ATOM 1137 CB PHE A 71 -5.563 -1.393 -12.095 1.00 0.00 C ATOM 1138 CG PHE A 71 -5.975 -1.979 -13.415 1.00 0.00 C ATOM 1139 CD1 PHE A 71 -7.307 -2.246 -13.685 1.00 0.00 C ATOM 1140 CD2 PHE A 71 -5.028 -2.264 -14.387 1.00 0.00 C ATOM 1141 CE1 PHE A 71 -7.689 -2.785 -14.899 1.00 0.00 C ATOM 1142 CE2 PHE A 71 -5.404 -2.803 -15.603 1.00 0.00 C ATOM 1143 CZ PHE A 71 -6.736 -3.065 -15.859 1.00 0.00 C ATOM 0 H PHE A 71 -4.543 -1.036 -9.874 1.00 0.00 H new ATOM 0 HA PHE A 71 -6.930 -2.314 -10.715 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -6.079 -0.444 -11.951 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -4.495 -1.174 -12.121 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -8.056 -2.030 -12.938 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -3.985 -2.063 -14.192 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -8.731 -2.987 -15.097 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -4.657 -3.019 -16.352 1.00 0.00 H new ATOM 0 HZ PHE A 71 -7.032 -3.488 -16.808 1.00 0.00 H new ATOM 1153 N ASN A 72 -4.098 -3.951 -11.192 1.00 0.00 N ATOM 1154 CA ASN A 72 -3.539 -5.268 -11.476 1.00 0.00 C ATOM 1155 C ASN A 72 -3.868 -6.251 -10.356 1.00 0.00 C ATOM 1156 O ASN A 72 -4.084 -7.439 -10.601 1.00 0.00 O ATOM 1157 CB ASN A 72 -2.023 -5.174 -11.657 1.00 0.00 C ATOM 1158 CG ASN A 72 -1.633 -4.772 -13.067 1.00 0.00 C ATOM 1159 OD1 ASN A 72 -2.048 -3.579 -13.477 1.00 0.00 O flip ATOM 1160 ND2 ASN A 72 -0.967 -5.525 -13.777 1.00 0.00 N flip ATOM 0 H ASN A 72 -3.404 -3.235 -10.977 1.00 0.00 H new ATOM 0 HA ASN A 72 -3.986 -5.633 -12.400 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -1.620 -4.448 -10.951 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -1.571 -6.137 -11.418 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -0.670 -6.433 -13.420 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -0.712 -5.241 -14.723 1.00 0.00 H new ATOM 1167 N LEU A 73 -3.904 -5.749 -9.127 1.00 0.00 N ATOM 1168 CA LEU A 73 -4.207 -6.582 -7.968 1.00 0.00 C ATOM 1169 C LEU A 73 -5.546 -7.292 -8.144 1.00 0.00 C ATOM 1170 O LEU A 73 -5.670 -8.484 -7.863 1.00 0.00 O ATOM 1171 CB LEU A 73 -4.231 -5.732 -6.697 1.00 0.00 C ATOM 1172 CG LEU A 73 -2.890 -5.141 -6.259 1.00 0.00 C ATOM 1173 CD1 LEU A 73 -3.077 -4.225 -5.060 1.00 0.00 C ATOM 1174 CD2 LEU A 73 -1.899 -6.249 -5.937 1.00 0.00 C ATOM 0 H LEU A 73 -3.727 -4.769 -8.907 1.00 0.00 H new ATOM 0 HA LEU A 73 -3.425 -7.336 -7.878 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -4.935 -4.913 -6.845 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -4.619 -6.343 -5.882 1.00 0.00 H new ATOM 0 HG LEU A 73 -2.488 -4.550 -7.082 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -2.112 -3.814 -4.762 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -3.752 -3.411 -5.325 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -3.501 -4.792 -4.231 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.951 -5.810 -5.627 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -2.294 -6.867 -5.130 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -1.742 -6.865 -6.822 1.00 0.00 H new ATOM 1186 N LYS A 74 -6.545 -6.553 -8.612 1.00 0.00 N ATOM 1187 CA LYS A 74 -7.875 -7.111 -8.829 1.00 0.00 C ATOM 1188 C LYS A 74 -7.937 -7.868 -10.152 1.00 0.00 C ATOM 1189 O LYS A 74 -8.614 -8.891 -10.262 1.00 0.00 O ATOM 1190 CB LYS A 74 -8.926 -5.999 -8.815 1.00 0.00 C ATOM 1191 CG LYS A 74 -8.661 -4.899 -9.829 1.00 0.00 C ATOM 1192 CD LYS A 74 -9.678 -3.776 -9.711 1.00 0.00 C ATOM 1193 CE LYS A 74 -11.097 -4.287 -9.911 1.00 0.00 C ATOM 1194 NZ LYS A 74 -11.725 -4.698 -8.625 1.00 0.00 N ATOM 0 H LYS A 74 -6.459 -5.565 -8.849 1.00 0.00 H new ATOM 0 HA LYS A 74 -8.085 -7.810 -8.020 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -9.906 -6.434 -9.011 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -8.966 -5.561 -7.818 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -7.658 -4.500 -9.680 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -8.692 -5.315 -10.836 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -9.593 -3.308 -8.730 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -9.459 -3.006 -10.451 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -11.701 -3.509 -10.378 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -11.085 -5.135 -10.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -12.044 -5.686 -8.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -11.030 -4.612 -7.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -12.541 -4.084 -8.425 1.00 0.00 H new ATOM 1208 N ASP A 75 -7.227 -7.360 -11.153 1.00 0.00 N ATOM 1209 CA ASP A 75 -7.200 -7.989 -12.469 1.00 0.00 C ATOM 1210 C ASP A 75 -7.157 -9.509 -12.342 1.00 0.00 C ATOM 1211 O ASP A 75 -6.404 -10.069 -11.546 1.00 0.00 O ATOM 1212 CB ASP A 75 -5.994 -7.497 -13.269 1.00 0.00 C ATOM 1213 CG ASP A 75 -6.061 -7.904 -14.728 1.00 0.00 C ATOM 1214 OD1 ASP A 75 -6.230 -9.111 -15.000 1.00 0.00 O ATOM 1215 OD2 ASP A 75 -5.946 -7.015 -15.597 1.00 0.00 O ATOM 0 H ASP A 75 -6.662 -6.514 -11.079 1.00 0.00 H new ATOM 0 HA ASP A 75 -8.112 -7.711 -12.997 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -5.935 -6.411 -13.200 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -5.081 -7.895 -12.826 1.00 0.00 H new ATOM 1220 N PRO A 76 -7.985 -10.193 -13.146 1.00 0.00 N ATOM 1221 CA PRO A 76 -8.060 -11.658 -13.142 1.00 0.00 C ATOM 1222 C PRO A 76 -6.806 -12.304 -13.721 1.00 0.00 C ATOM 1223 O PRO A 76 -6.355 -13.345 -13.243 1.00 0.00 O ATOM 1224 CB PRO A 76 -9.272 -11.952 -14.030 1.00 0.00 C ATOM 1225 CG PRO A 76 -9.381 -10.769 -14.928 1.00 0.00 C ATOM 1226 CD PRO A 76 -8.911 -9.591 -14.120 1.00 0.00 C ATOM 0 HA PRO A 76 -8.146 -12.060 -12.132 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -9.131 -12.870 -14.600 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -10.176 -12.082 -13.435 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -8.769 -10.899 -15.821 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -10.408 -10.627 -15.264 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -8.412 -8.849 -14.744 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -9.741 -9.086 -13.626 1.00 0.00 H new ATOM 1234 N LYS A 77 -6.247 -11.680 -14.752 1.00 0.00 N ATOM 1235 CA LYS A 77 -5.043 -12.193 -15.396 1.00 0.00 C ATOM 1236 C LYS A 77 -3.865 -12.189 -14.428 1.00 0.00 C ATOM 1237 O LYS A 77 -3.075 -13.131 -14.393 1.00 0.00 O ATOM 1238 CB LYS A 77 -4.705 -11.356 -16.632 1.00 0.00 C ATOM 1239 CG LYS A 77 -5.921 -10.967 -17.454 1.00 0.00 C ATOM 1240 CD LYS A 77 -5.549 -10.682 -18.900 1.00 0.00 C ATOM 1241 CE LYS A 77 -5.162 -9.224 -19.099 1.00 0.00 C ATOM 1242 NZ LYS A 77 -4.275 -9.042 -20.281 1.00 0.00 N ATOM 0 H LYS A 77 -6.608 -10.818 -15.160 1.00 0.00 H new ATOM 0 HA LYS A 77 -5.235 -13.221 -15.703 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -4.185 -10.451 -16.317 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -4.015 -11.917 -17.262 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -6.657 -11.770 -17.418 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -6.390 -10.085 -17.017 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -4.719 -11.324 -19.197 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -6.390 -10.928 -19.548 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -6.063 -8.623 -19.225 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -4.656 -8.857 -18.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -4.034 -8.035 -20.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -3.404 -9.595 -20.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -4.767 -9.368 -21.137 1.00 0.00 H new ATOM 1256 N ASN A 78 -3.753 -11.122 -13.643 1.00 0.00 N ATOM 1257 CA ASN A 78 -2.671 -10.996 -12.673 1.00 0.00 C ATOM 1258 C ASN A 78 -3.056 -11.635 -11.342 1.00 0.00 C ATOM 1259 O ASN A 78 -3.750 -11.027 -10.528 1.00 0.00 O ATOM 1260 CB ASN A 78 -2.318 -9.523 -12.461 1.00 0.00 C ATOM 1261 CG ASN A 78 -1.415 -8.982 -13.553 1.00 0.00 C ATOM 1262 OD1 ASN A 78 -0.488 -8.109 -13.176 1.00 0.00 O flip ATOM 1263 ND2 ASN A 78 -1.551 -9.344 -14.722 1.00 0.00 N flip ATOM 0 H ASN A 78 -4.398 -10.332 -13.660 1.00 0.00 H new ATOM 0 HA ASN A 78 -1.800 -11.519 -13.068 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -3.234 -8.934 -12.426 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -1.826 -9.405 -11.495 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -2.277 -10.017 -14.966 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -0.937 -8.971 -15.446 1.00 0.00 H new ATOM 1270 N ASN A 79 -2.600 -12.865 -11.129 1.00 0.00 N ATOM 1271 CA ASN A 79 -2.896 -13.587 -9.897 1.00 0.00 C ATOM 1272 C ASN A 79 -1.612 -13.973 -9.170 1.00 0.00 C ATOM 1273 O ASN A 79 -1.560 -14.990 -8.478 1.00 0.00 O ATOM 1274 CB ASN A 79 -3.720 -14.840 -10.201 1.00 0.00 C ATOM 1275 CG ASN A 79 -3.029 -15.760 -11.189 1.00 0.00 C ATOM 1276 OD1 ASN A 79 -2.400 -16.745 -10.801 1.00 0.00 O ATOM 1277 ND2 ASN A 79 -3.143 -15.442 -12.473 1.00 0.00 N ATOM 0 H ASN A 79 -2.024 -13.382 -11.793 1.00 0.00 H new ATOM 0 HA ASN A 79 -3.474 -12.928 -9.249 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -3.908 -15.382 -9.274 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -4.691 -14.545 -10.600 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -2.699 -16.024 -13.184 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -3.674 -14.616 -12.749 1.00 0.00 H new ATOM 1284 N ILE A 80 -0.578 -13.154 -9.332 1.00 0.00 N ATOM 1285 CA ILE A 80 0.706 -13.409 -8.691 1.00 0.00 C ATOM 1286 C ILE A 80 1.152 -12.212 -7.859 1.00 0.00 C ATOM 1287 O ILE A 80 1.625 -12.366 -6.732 1.00 0.00 O ATOM 1288 CB ILE A 80 1.798 -13.736 -9.726 1.00 0.00 C ATOM 1289 CG1 ILE A 80 1.301 -14.803 -10.704 1.00 0.00 C ATOM 1290 CG2 ILE A 80 3.068 -14.199 -9.028 1.00 0.00 C ATOM 1291 CD1 ILE A 80 2.345 -15.231 -11.712 1.00 0.00 C ATOM 0 H ILE A 80 -0.605 -12.308 -9.902 1.00 0.00 H new ATOM 0 HA ILE A 80 0.567 -14.271 -8.038 1.00 0.00 H new ATOM 0 HB ILE A 80 2.026 -12.832 -10.290 1.00 0.00 H new ATOM 0 HG12 ILE A 80 0.972 -15.676 -10.140 1.00 0.00 H new ATOM 0 HG13 ILE A 80 0.430 -14.420 -11.235 1.00 0.00 H new ATOM 0 HG21 ILE A 80 3.830 -14.426 -9.773 1.00 0.00 H new ATOM 0 HG22 ILE A 80 3.429 -13.410 -8.368 1.00 0.00 H new ATOM 0 HG23 ILE A 80 2.856 -15.093 -8.442 1.00 0.00 H new ATOM 0 HD11 ILE A 80 1.924 -15.989 -12.373 1.00 0.00 H new ATOM 0 HD12 ILE A 80 2.657 -14.369 -12.301 1.00 0.00 H new ATOM 0 HD13 ILE A 80 3.208 -15.644 -11.189 1.00 0.00 H new ATOM 1303 N LEU A 81 0.995 -11.018 -8.419 1.00 0.00 N ATOM 1304 CA LEU A 81 1.380 -9.792 -7.729 1.00 0.00 C ATOM 1305 C LEU A 81 0.886 -9.802 -6.286 1.00 0.00 C ATOM 1306 O LEU A 81 1.679 -9.897 -5.348 1.00 0.00 O ATOM 1307 CB LEU A 81 0.820 -8.572 -8.463 1.00 0.00 C ATOM 1308 CG LEU A 81 1.631 -7.282 -8.336 1.00 0.00 C ATOM 1309 CD1 LEU A 81 3.026 -7.469 -8.912 1.00 0.00 C ATOM 1310 CD2 LEU A 81 0.915 -6.132 -9.031 1.00 0.00 C ATOM 0 H LEU A 81 0.604 -10.873 -9.350 1.00 0.00 H new ATOM 0 HA LEU A 81 2.468 -9.735 -7.721 1.00 0.00 H new ATOM 0 HB2 LEU A 81 0.731 -8.819 -9.521 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -0.188 -8.382 -8.094 1.00 0.00 H new ATOM 0 HG LEU A 81 1.727 -7.038 -7.278 1.00 0.00 H new ATOM 0 HD11 LEU A 81 3.588 -6.540 -8.813 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.540 -8.264 -8.371 1.00 0.00 H new ATOM 0 HD13 LEU A 81 2.952 -7.737 -9.966 1.00 0.00 H new ATOM 0 HD21 LEU A 81 1.506 -5.222 -8.931 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.788 -6.368 -10.088 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -0.063 -5.982 -8.573 1.00 0.00 H new ATOM 1322 N PHE A 82 -0.428 -9.705 -6.115 1.00 0.00 N ATOM 1323 CA PHE A 82 -1.028 -9.705 -4.786 1.00 0.00 C ATOM 1324 C PHE A 82 -0.345 -10.725 -3.880 1.00 0.00 C ATOM 1325 O PHE A 82 -0.019 -10.431 -2.729 1.00 0.00 O ATOM 1326 CB PHE A 82 -2.525 -10.010 -4.878 1.00 0.00 C ATOM 1327 CG PHE A 82 -2.842 -11.477 -4.820 1.00 0.00 C ATOM 1328 CD1 PHE A 82 -2.579 -12.300 -5.903 1.00 0.00 C ATOM 1329 CD2 PHE A 82 -3.401 -12.033 -3.681 1.00 0.00 C ATOM 1330 CE1 PHE A 82 -2.871 -13.650 -5.852 1.00 0.00 C ATOM 1331 CE2 PHE A 82 -3.695 -13.383 -3.623 1.00 0.00 C ATOM 1332 CZ PHE A 82 -3.428 -14.192 -4.710 1.00 0.00 C ATOM 0 H PHE A 82 -1.098 -9.625 -6.880 1.00 0.00 H new ATOM 0 HA PHE A 82 -0.892 -8.713 -4.354 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -3.042 -9.502 -4.064 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -2.915 -9.599 -5.809 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -2.141 -11.882 -6.797 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -3.610 -11.404 -2.828 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -2.664 -14.280 -6.704 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -4.132 -13.804 -2.730 1.00 0.00 H new ATOM 0 HZ PHE A 82 -3.654 -15.247 -4.667 1.00 0.00 H new ATOM 1342 N LYS A 83 -0.130 -11.925 -4.407 1.00 0.00 N ATOM 1343 CA LYS A 83 0.515 -12.990 -3.648 1.00 0.00 C ATOM 1344 C LYS A 83 1.920 -12.579 -3.220 1.00 0.00 C ATOM 1345 O LYS A 83 2.226 -12.523 -2.028 1.00 0.00 O ATOM 1346 CB LYS A 83 0.579 -14.272 -4.483 1.00 0.00 C ATOM 1347 CG LYS A 83 0.911 -15.511 -3.669 1.00 0.00 C ATOM 1348 CD LYS A 83 1.017 -16.744 -4.551 1.00 0.00 C ATOM 1349 CE LYS A 83 -0.351 -17.342 -4.840 1.00 0.00 C ATOM 1350 NZ LYS A 83 -0.253 -18.576 -5.668 1.00 0.00 N ATOM 0 H LYS A 83 -0.393 -12.185 -5.358 1.00 0.00 H new ATOM 0 HA LYS A 83 -0.079 -13.175 -2.753 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -0.380 -14.420 -4.980 1.00 0.00 H new ATOM 0 HB3 LYS A 83 1.328 -14.149 -5.265 1.00 0.00 H new ATOM 0 HG2 LYS A 83 1.852 -15.359 -3.140 1.00 0.00 H new ATOM 0 HG3 LYS A 83 0.142 -15.668 -2.913 1.00 0.00 H new ATOM 0 HD2 LYS A 83 1.506 -16.481 -5.489 1.00 0.00 H new ATOM 0 HD3 LYS A 83 1.645 -17.489 -4.063 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -0.852 -17.574 -3.900 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -0.967 -16.606 -5.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -1.206 -18.953 -5.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 0.202 -18.350 -6.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 0.314 -19.288 -5.164 1.00 0.00 H new ATOM 1364 N LYS A 84 2.771 -12.290 -4.198 1.00 0.00 N ATOM 1365 CA LYS A 84 4.143 -11.881 -3.923 1.00 0.00 C ATOM 1366 C LYS A 84 4.182 -10.785 -2.863 1.00 0.00 C ATOM 1367 O LYS A 84 5.117 -10.713 -2.065 1.00 0.00 O ATOM 1368 CB LYS A 84 4.817 -11.388 -5.206 1.00 0.00 C ATOM 1369 CG LYS A 84 4.983 -12.469 -6.260 1.00 0.00 C ATOM 1370 CD LYS A 84 5.489 -11.895 -7.573 1.00 0.00 C ATOM 1371 CE LYS A 84 4.448 -11.000 -8.228 1.00 0.00 C ATOM 1372 NZ LYS A 84 4.740 -10.774 -9.671 1.00 0.00 N ATOM 0 H LYS A 84 2.534 -12.331 -5.189 1.00 0.00 H new ATOM 0 HA LYS A 84 4.685 -12.748 -3.545 1.00 0.00 H new ATOM 0 HB2 LYS A 84 4.229 -10.571 -5.625 1.00 0.00 H new ATOM 0 HB3 LYS A 84 5.797 -10.980 -4.958 1.00 0.00 H new ATOM 0 HG2 LYS A 84 5.680 -13.225 -5.900 1.00 0.00 H new ATOM 0 HG3 LYS A 84 4.028 -12.968 -6.424 1.00 0.00 H new ATOM 0 HD2 LYS A 84 6.400 -11.324 -7.395 1.00 0.00 H new ATOM 0 HD3 LYS A 84 5.749 -12.708 -8.251 1.00 0.00 H new ATOM 0 HE2 LYS A 84 3.462 -11.453 -8.124 1.00 0.00 H new ATOM 0 HE3 LYS A 84 4.415 -10.042 -7.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 4.008 -10.159 -10.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 5.670 -10.319 -9.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 4.746 -11.686 -10.171 1.00 0.00 H new ATOM 1386 N VAL A 85 3.160 -9.935 -2.859 1.00 0.00 N ATOM 1387 CA VAL A 85 3.077 -8.845 -1.894 1.00 0.00 C ATOM 1388 C VAL A 85 2.809 -9.373 -0.490 1.00 0.00 C ATOM 1389 O VAL A 85 3.625 -9.199 0.417 1.00 0.00 O ATOM 1390 CB VAL A 85 1.969 -7.844 -2.274 1.00 0.00 C ATOM 1391 CG1 VAL A 85 1.877 -6.732 -1.239 1.00 0.00 C ATOM 1392 CG2 VAL A 85 2.220 -7.272 -3.661 1.00 0.00 C ATOM 0 H VAL A 85 2.378 -9.980 -3.513 1.00 0.00 H new ATOM 0 HA VAL A 85 4.040 -8.334 -1.909 1.00 0.00 H new ATOM 0 HB VAL A 85 1.016 -8.373 -2.291 1.00 0.00 H new ATOM 0 HG11 VAL A 85 1.089 -6.034 -1.524 1.00 0.00 H new ATOM 0 HG12 VAL A 85 1.647 -7.161 -0.264 1.00 0.00 H new ATOM 0 HG13 VAL A 85 2.829 -6.203 -1.187 1.00 0.00 H new ATOM 0 HG21 VAL A 85 1.428 -6.567 -3.913 1.00 0.00 H new ATOM 0 HG22 VAL A 85 3.181 -6.758 -3.674 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.232 -8.081 -4.392 1.00 0.00 H new ATOM 1402 N LEU A 86 1.662 -10.020 -0.315 1.00 0.00 N ATOM 1403 CA LEU A 86 1.287 -10.575 0.980 1.00 0.00 C ATOM 1404 C LEU A 86 2.402 -11.452 1.541 1.00 0.00 C ATOM 1405 O LEU A 86 2.828 -11.279 2.683 1.00 0.00 O ATOM 1406 CB LEU A 86 -0.002 -11.389 0.854 1.00 0.00 C ATOM 1407 CG LEU A 86 -1.306 -10.620 1.073 1.00 0.00 C ATOM 1408 CD1 LEU A 86 -1.464 -9.528 0.026 1.00 0.00 C ATOM 1409 CD2 LEU A 86 -2.496 -11.568 1.042 1.00 0.00 C ATOM 0 H LEU A 86 0.976 -10.173 -1.054 1.00 0.00 H new ATOM 0 HA LEU A 86 1.121 -9.746 1.668 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -0.030 -11.836 -0.140 1.00 0.00 H new ATOM 0 HB3 LEU A 86 0.038 -12.209 1.571 1.00 0.00 H new ATOM 0 HG LEU A 86 -1.268 -10.150 2.056 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -2.397 -8.992 0.198 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -0.628 -8.833 0.096 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.481 -9.976 -0.967 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -3.415 -11.004 1.200 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -2.538 -12.067 0.074 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -2.388 -12.313 1.830 1.00 0.00 H new ATOM 1421 N LYS A 87 2.873 -12.393 0.730 1.00 0.00 N ATOM 1422 CA LYS A 87 3.941 -13.295 1.142 1.00 0.00 C ATOM 1423 C LYS A 87 5.185 -12.513 1.552 1.00 0.00 C ATOM 1424 O LYS A 87 5.876 -12.881 2.501 1.00 0.00 O ATOM 1425 CB LYS A 87 4.285 -14.263 0.008 1.00 0.00 C ATOM 1426 CG LYS A 87 4.790 -15.611 0.491 1.00 0.00 C ATOM 1427 CD LYS A 87 3.739 -16.339 1.312 1.00 0.00 C ATOM 1428 CE LYS A 87 3.986 -17.840 1.329 1.00 0.00 C ATOM 1429 NZ LYS A 87 4.945 -18.232 2.398 1.00 0.00 N ATOM 0 H LYS A 87 2.531 -12.551 -0.218 1.00 0.00 H new ATOM 0 HA LYS A 87 3.590 -13.864 2.003 1.00 0.00 H new ATOM 0 HB2 LYS A 87 3.399 -14.416 -0.609 1.00 0.00 H new ATOM 0 HB3 LYS A 87 5.043 -13.808 -0.630 1.00 0.00 H new ATOM 0 HG2 LYS A 87 5.072 -16.223 -0.366 1.00 0.00 H new ATOM 0 HG3 LYS A 87 5.689 -15.470 1.092 1.00 0.00 H new ATOM 0 HD2 LYS A 87 3.744 -15.957 2.333 1.00 0.00 H new ATOM 0 HD3 LYS A 87 2.750 -16.137 0.901 1.00 0.00 H new ATOM 0 HE2 LYS A 87 3.041 -18.362 1.480 1.00 0.00 H new ATOM 0 HE3 LYS A 87 4.373 -18.155 0.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 5.087 -19.262 2.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 5.855 -17.754 2.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 4.564 -17.954 3.325 1.00 0.00 H new ATOM 1443 N GLY A 88 5.464 -11.432 0.831 1.00 0.00 N ATOM 1444 CA GLY A 88 6.624 -10.615 1.136 1.00 0.00 C ATOM 1445 C GLY A 88 7.484 -10.350 -0.083 1.00 0.00 C ATOM 1446 O GLY A 88 8.158 -9.324 -0.163 1.00 0.00 O ATOM 0 H GLY A 88 4.907 -11.107 0.041 1.00 0.00 H new ATOM 0 HA2 GLY A 88 6.295 -9.665 1.558 1.00 0.00 H new ATOM 0 HA3 GLY A 88 7.224 -11.112 1.899 1.00 0.00 H new ATOM 1450 N GLU A 89 7.462 -11.279 -1.034 1.00 0.00 N ATOM 1451 CA GLU A 89 8.249 -11.141 -2.254 1.00 0.00 C ATOM 1452 C GLU A 89 8.331 -9.680 -2.686 1.00 0.00 C ATOM 1453 O GLU A 89 9.408 -9.174 -3.002 1.00 0.00 O ATOM 1454 CB GLU A 89 7.641 -11.983 -3.377 1.00 0.00 C ATOM 1455 CG GLU A 89 8.013 -13.454 -3.306 1.00 0.00 C ATOM 1456 CD GLU A 89 7.062 -14.336 -4.091 1.00 0.00 C ATOM 1457 OE1 GLU A 89 5.962 -14.627 -3.578 1.00 0.00 O ATOM 1458 OE2 GLU A 89 7.419 -14.735 -5.220 1.00 0.00 O ATOM 0 H GLU A 89 6.908 -12.134 -0.983 1.00 0.00 H new ATOM 0 HA GLU A 89 9.258 -11.498 -2.048 1.00 0.00 H new ATOM 0 HB2 GLU A 89 6.556 -11.890 -3.342 1.00 0.00 H new ATOM 0 HB3 GLU A 89 7.965 -11.581 -4.337 1.00 0.00 H new ATOM 0 HG2 GLU A 89 9.025 -13.588 -3.688 1.00 0.00 H new ATOM 0 HG3 GLU A 89 8.021 -13.773 -2.264 1.00 0.00 H new ATOM 1465 N VAL A 90 7.185 -9.007 -2.698 1.00 0.00 N ATOM 1466 CA VAL A 90 7.126 -7.604 -3.090 1.00 0.00 C ATOM 1467 C VAL A 90 6.784 -6.714 -1.900 1.00 0.00 C ATOM 1468 O VAL A 90 5.970 -7.079 -1.051 1.00 0.00 O ATOM 1469 CB VAL A 90 6.086 -7.376 -4.203 1.00 0.00 C ATOM 1470 CG1 VAL A 90 5.727 -5.901 -4.304 1.00 0.00 C ATOM 1471 CG2 VAL A 90 6.607 -7.898 -5.534 1.00 0.00 C ATOM 0 H VAL A 90 6.284 -9.411 -2.441 1.00 0.00 H new ATOM 0 HA VAL A 90 8.114 -7.339 -3.466 1.00 0.00 H new ATOM 0 HB VAL A 90 5.182 -7.930 -3.950 1.00 0.00 H new ATOM 0 HG11 VAL A 90 4.991 -5.759 -5.095 1.00 0.00 H new ATOM 0 HG12 VAL A 90 5.310 -5.562 -3.356 1.00 0.00 H new ATOM 0 HG13 VAL A 90 6.623 -5.323 -4.533 1.00 0.00 H new ATOM 0 HG21 VAL A 90 5.859 -7.729 -6.309 1.00 0.00 H new ATOM 0 HG22 VAL A 90 7.526 -7.374 -5.796 1.00 0.00 H new ATOM 0 HG23 VAL A 90 6.809 -8.966 -5.452 1.00 0.00 H new ATOM 1481 N THR A 91 7.411 -5.543 -1.844 1.00 0.00 N ATOM 1482 CA THR A 91 7.174 -4.601 -0.758 1.00 0.00 C ATOM 1483 C THR A 91 6.095 -3.591 -1.132 1.00 0.00 C ATOM 1484 O THR A 91 5.983 -3.162 -2.281 1.00 0.00 O ATOM 1485 CB THR A 91 8.461 -3.843 -0.380 1.00 0.00 C ATOM 1486 OG1 THR A 91 9.300 -3.699 -1.531 1.00 0.00 O ATOM 1487 CG2 THR A 91 9.218 -4.576 0.717 1.00 0.00 C ATOM 0 H THR A 91 8.087 -5.225 -2.538 1.00 0.00 H new ATOM 0 HA THR A 91 6.840 -5.185 0.099 1.00 0.00 H new ATOM 0 HB THR A 91 8.181 -2.857 -0.009 1.00 0.00 H new ATOM 0 HG1 THR A 91 10.178 -3.361 -1.256 1.00 0.00 H new ATOM 0 HG21 THR A 91 10.123 -4.022 0.967 1.00 0.00 H new ATOM 0 HG22 THR A 91 8.587 -4.659 1.602 1.00 0.00 H new ATOM 0 HG23 THR A 91 9.488 -5.573 0.369 1.00 0.00 H new ATOM 1495 N PRO A 92 5.280 -3.200 -0.141 1.00 0.00 N ATOM 1496 CA PRO A 92 4.196 -2.234 -0.342 1.00 0.00 C ATOM 1497 C PRO A 92 4.716 -0.824 -0.603 1.00 0.00 C ATOM 1498 O PRO A 92 3.941 0.092 -0.880 1.00 0.00 O ATOM 1499 CB PRO A 92 3.426 -2.284 0.980 1.00 0.00 C ATOM 1500 CG PRO A 92 4.428 -2.739 1.985 1.00 0.00 C ATOM 1501 CD PRO A 92 5.355 -3.669 1.253 1.00 0.00 C ATOM 0 HA PRO A 92 3.589 -2.479 -1.214 1.00 0.00 H new ATOM 0 HB2 PRO A 92 3.021 -1.306 1.240 1.00 0.00 H new ATOM 0 HB3 PRO A 92 2.583 -2.973 0.921 1.00 0.00 H new ATOM 0 HG2 PRO A 92 4.974 -1.893 2.403 1.00 0.00 H new ATOM 0 HG3 PRO A 92 3.942 -3.248 2.818 1.00 0.00 H new ATOM 0 HD2 PRO A 92 6.372 -3.611 1.642 1.00 0.00 H new ATOM 0 HD3 PRO A 92 5.037 -4.708 1.345 1.00 0.00 H new ATOM 1509 N ASP A 93 6.031 -0.658 -0.513 1.00 0.00 N ATOM 1510 CA ASP A 93 6.654 0.640 -0.741 1.00 0.00 C ATOM 1511 C ASP A 93 7.377 0.667 -2.085 1.00 0.00 C ATOM 1512 O ASP A 93 7.702 1.735 -2.605 1.00 0.00 O ATOM 1513 CB ASP A 93 7.635 0.964 0.386 1.00 0.00 C ATOM 1514 CG ASP A 93 8.624 -0.159 0.634 1.00 0.00 C ATOM 1515 OD1 ASP A 93 9.527 -0.350 -0.207 1.00 0.00 O ATOM 1516 OD2 ASP A 93 8.494 -0.845 1.669 1.00 0.00 O ATOM 0 H ASP A 93 6.686 -1.406 -0.284 1.00 0.00 H new ATOM 0 HA ASP A 93 5.868 1.395 -0.756 1.00 0.00 H new ATOM 0 HB2 ASP A 93 8.179 1.876 0.139 1.00 0.00 H new ATOM 0 HB3 ASP A 93 7.079 1.163 1.302 1.00 0.00 H new ATOM 1521 N HIS A 94 7.626 -0.514 -2.641 1.00 0.00 N ATOM 1522 CA HIS A 94 8.312 -0.626 -3.923 1.00 0.00 C ATOM 1523 C HIS A 94 7.308 -0.734 -5.068 1.00 0.00 C ATOM 1524 O HIS A 94 7.581 -0.306 -6.190 1.00 0.00 O ATOM 1525 CB HIS A 94 9.239 -1.841 -3.926 1.00 0.00 C ATOM 1526 CG HIS A 94 10.294 -1.787 -4.988 1.00 0.00 C ATOM 1527 ND1 HIS A 94 11.501 -1.143 -4.818 1.00 0.00 N ATOM 1528 CD2 HIS A 94 10.318 -2.304 -6.239 1.00 0.00 C ATOM 1529 CE1 HIS A 94 12.221 -1.265 -5.919 1.00 0.00 C ATOM 1530 NE2 HIS A 94 11.526 -1.965 -6.796 1.00 0.00 N ATOM 0 H HIS A 94 7.363 -1.407 -2.224 1.00 0.00 H new ATOM 0 HA HIS A 94 8.908 0.275 -4.068 1.00 0.00 H new ATOM 0 HB2 HIS A 94 9.720 -1.923 -2.951 1.00 0.00 H new ATOM 0 HB3 HIS A 94 8.642 -2.743 -4.064 1.00 0.00 H new ATOM 0 HD2 HIS A 94 9.533 -2.876 -6.711 1.00 0.00 H new ATOM 0 HE1 HIS A 94 13.210 -0.861 -6.075 1.00 0.00 H new ATOM 0 HE2 HIS A 94 11.836 -2.214 -7.735 1.00 0.00 H new ATOM 1539 N LEU A 95 6.147 -1.311 -4.777 1.00 0.00 N ATOM 1540 CA LEU A 95 5.103 -1.477 -5.781 1.00 0.00 C ATOM 1541 C LEU A 95 4.891 -0.185 -6.566 1.00 0.00 C ATOM 1542 O LEU A 95 4.480 -0.213 -7.726 1.00 0.00 O ATOM 1543 CB LEU A 95 3.792 -1.904 -5.118 1.00 0.00 C ATOM 1544 CG LEU A 95 2.632 -2.216 -6.063 1.00 0.00 C ATOM 1545 CD1 LEU A 95 2.866 -3.538 -6.778 1.00 0.00 C ATOM 1546 CD2 LEU A 95 1.316 -2.247 -5.299 1.00 0.00 C ATOM 0 H LEU A 95 5.905 -1.672 -3.854 1.00 0.00 H new ATOM 0 HA LEU A 95 5.422 -2.255 -6.475 1.00 0.00 H new ATOM 0 HB2 LEU A 95 3.987 -2.788 -4.510 1.00 0.00 H new ATOM 0 HB3 LEU A 95 3.477 -1.112 -4.438 1.00 0.00 H new ATOM 0 HG LEU A 95 2.577 -1.426 -6.812 1.00 0.00 H new ATOM 0 HD11 LEU A 95 2.030 -3.743 -7.446 1.00 0.00 H new ATOM 0 HD12 LEU A 95 3.788 -3.480 -7.357 1.00 0.00 H new ATOM 0 HD13 LEU A 95 2.949 -4.339 -6.044 1.00 0.00 H new ATOM 0 HD21 LEU A 95 0.501 -2.470 -5.987 1.00 0.00 H new ATOM 0 HD22 LEU A 95 1.361 -3.016 -4.528 1.00 0.00 H new ATOM 0 HD23 LEU A 95 1.142 -1.277 -4.834 1.00 0.00 H new ATOM 1558 N ILE A 96 5.177 0.943 -5.925 1.00 0.00 N ATOM 1559 CA ILE A 96 5.021 2.244 -6.564 1.00 0.00 C ATOM 1560 C ILE A 96 6.163 2.519 -7.536 1.00 0.00 C ATOM 1561 O ILE A 96 5.944 3.011 -8.644 1.00 0.00 O ATOM 1562 CB ILE A 96 4.962 3.378 -5.524 1.00 0.00 C ATOM 1563 CG1 ILE A 96 3.965 3.033 -4.416 1.00 0.00 C ATOM 1564 CG2 ILE A 96 4.584 4.691 -6.194 1.00 0.00 C ATOM 1565 CD1 ILE A 96 4.096 3.910 -3.191 1.00 0.00 C ATOM 0 H ILE A 96 5.518 0.982 -4.964 1.00 0.00 H new ATOM 0 HA ILE A 96 4.079 2.216 -7.112 1.00 0.00 H new ATOM 0 HB ILE A 96 5.949 3.492 -5.076 1.00 0.00 H new ATOM 0 HG12 ILE A 96 2.952 3.121 -4.809 1.00 0.00 H new ATOM 0 HG13 ILE A 96 4.104 1.992 -4.124 1.00 0.00 H new ATOM 0 HG21 ILE A 96 4.546 5.483 -5.446 1.00 0.00 H new ATOM 0 HG22 ILE A 96 5.328 4.941 -6.950 1.00 0.00 H new ATOM 0 HG23 ILE A 96 3.607 4.591 -6.666 1.00 0.00 H new ATOM 0 HD11 ILE A 96 3.358 3.609 -2.447 1.00 0.00 H new ATOM 0 HD12 ILE A 96 5.097 3.804 -2.773 1.00 0.00 H new ATOM 0 HD13 ILE A 96 3.927 4.950 -3.469 1.00 0.00 H new ATOM 1577 N ARG A 97 7.382 2.197 -7.115 1.00 0.00 N ATOM 1578 CA ARG A 97 8.559 2.409 -7.949 1.00 0.00 C ATOM 1579 C ARG A 97 8.524 1.506 -9.178 1.00 0.00 C ATOM 1580 O ARG A 97 9.164 1.793 -10.189 1.00 0.00 O ATOM 1581 CB ARG A 97 9.834 2.145 -7.145 1.00 0.00 C ATOM 1582 CG ARG A 97 10.061 3.142 -6.020 1.00 0.00 C ATOM 1583 CD ARG A 97 11.453 3.001 -5.424 1.00 0.00 C ATOM 1584 NE ARG A 97 12.499 3.197 -6.425 1.00 0.00 N ATOM 1585 CZ ARG A 97 13.797 3.172 -6.145 1.00 0.00 C ATOM 1586 NH1 ARG A 97 14.207 2.960 -4.903 1.00 0.00 N ATOM 1587 NH2 ARG A 97 14.688 3.359 -7.110 1.00 0.00 N ATOM 0 H ARG A 97 7.580 1.788 -6.202 1.00 0.00 H new ATOM 0 HA ARG A 97 8.556 3.447 -8.282 1.00 0.00 H new ATOM 0 HB2 ARG A 97 9.787 1.140 -6.725 1.00 0.00 H new ATOM 0 HB3 ARG A 97 10.690 2.169 -7.819 1.00 0.00 H new ATOM 0 HG2 ARG A 97 9.927 4.156 -6.398 1.00 0.00 H new ATOM 0 HG3 ARG A 97 9.313 2.990 -5.241 1.00 0.00 H new ATOM 0 HD2 ARG A 97 11.579 3.727 -4.621 1.00 0.00 H new ATOM 0 HD3 ARG A 97 11.558 2.012 -4.978 1.00 0.00 H new ATOM 0 HE ARG A 97 12.217 3.362 -7.391 1.00 0.00 H new ATOM 0 HH11 ARG A 97 13.525 2.815 -4.158 1.00 0.00 H new ATOM 0 HH12 ARG A 97 15.205 2.941 -4.691 1.00 0.00 H new ATOM 0 HH21 ARG A 97 14.376 3.522 -8.067 1.00 0.00 H new ATOM 0 HH22 ARG A 97 15.685 3.340 -6.895 1.00 0.00 H new ATOM 1601 N MET A 98 7.774 0.414 -9.083 1.00 0.00 N ATOM 1602 CA MET A 98 7.655 -0.531 -10.187 1.00 0.00 C ATOM 1603 C MET A 98 7.104 0.156 -11.433 1.00 0.00 C ATOM 1604 O MET A 98 6.671 1.307 -11.379 1.00 0.00 O ATOM 1605 CB MET A 98 6.750 -1.699 -9.793 1.00 0.00 C ATOM 1606 CG MET A 98 7.244 -2.467 -8.577 1.00 0.00 C ATOM 1607 SD MET A 98 8.489 -3.703 -8.995 1.00 0.00 S ATOM 1608 CE MET A 98 7.453 -5.046 -9.572 1.00 0.00 C ATOM 0 H MET A 98 7.239 0.161 -8.252 1.00 0.00 H new ATOM 0 HA MET A 98 8.650 -0.913 -10.413 1.00 0.00 H new ATOM 0 HB2 MET A 98 5.748 -1.320 -9.591 1.00 0.00 H new ATOM 0 HB3 MET A 98 6.667 -2.384 -10.636 1.00 0.00 H new ATOM 0 HG2 MET A 98 7.662 -1.766 -7.854 1.00 0.00 H new ATOM 0 HG3 MET A 98 6.399 -2.957 -8.094 1.00 0.00 H new ATOM 0 HE1 MET A 98 8.079 -5.887 -9.868 1.00 0.00 H new ATOM 0 HE2 MET A 98 6.782 -5.357 -8.772 1.00 0.00 H new ATOM 0 HE3 MET A 98 6.867 -4.711 -10.428 1.00 0.00 H new ATOM 1618 N SER A 99 7.124 -0.558 -12.554 1.00 0.00 N ATOM 1619 CA SER A 99 6.630 -0.015 -13.815 1.00 0.00 C ATOM 1620 C SER A 99 5.288 -0.637 -14.185 1.00 0.00 C ATOM 1621 O SER A 99 4.944 -1.738 -13.754 1.00 0.00 O ATOM 1622 CB SER A 99 7.645 -0.261 -14.933 1.00 0.00 C ATOM 1623 OG SER A 99 8.682 0.704 -14.902 1.00 0.00 O ATOM 0 H SER A 99 7.477 -1.513 -12.615 1.00 0.00 H new ATOM 0 HA SER A 99 6.491 1.059 -13.690 1.00 0.00 H new ATOM 0 HB2 SER A 99 8.070 -1.259 -14.829 1.00 0.00 H new ATOM 0 HB3 SER A 99 7.142 -0.228 -15.899 1.00 0.00 H new ATOM 0 HG SER A 99 9.318 0.524 -15.625 1.00 0.00 H new ATOM 1629 N PRO A 100 4.508 0.084 -15.004 1.00 0.00 N ATOM 1630 CA PRO A 100 3.190 -0.376 -15.452 1.00 0.00 C ATOM 1631 C PRO A 100 3.285 -1.553 -16.418 1.00 0.00 C ATOM 1632 O PRO A 100 2.276 -2.169 -16.759 1.00 0.00 O ATOM 1633 CB PRO A 100 2.607 0.850 -16.159 1.00 0.00 C ATOM 1634 CG PRO A 100 3.795 1.633 -16.601 1.00 0.00 C ATOM 1635 CD PRO A 100 4.853 1.405 -15.557 1.00 0.00 C ATOM 0 HA PRO A 100 2.581 -0.736 -14.623 1.00 0.00 H new ATOM 0 HB2 PRO A 100 1.986 0.560 -17.007 1.00 0.00 H new ATOM 0 HB3 PRO A 100 1.977 1.432 -15.487 1.00 0.00 H new ATOM 0 HG2 PRO A 100 4.137 1.303 -17.582 1.00 0.00 H new ATOM 0 HG3 PRO A 100 3.554 2.692 -16.687 1.00 0.00 H new ATOM 0 HD2 PRO A 100 5.853 1.410 -15.991 1.00 0.00 H new ATOM 0 HD3 PRO A 100 4.834 2.179 -14.790 1.00 0.00 H new ATOM 1643 N GLU A 101 4.503 -1.858 -16.854 1.00 0.00 N ATOM 1644 CA GLU A 101 4.727 -2.962 -17.781 1.00 0.00 C ATOM 1645 C GLU A 101 5.381 -4.144 -17.071 1.00 0.00 C ATOM 1646 O GLU A 101 5.264 -5.287 -17.512 1.00 0.00 O ATOM 1647 CB GLU A 101 5.604 -2.505 -18.949 1.00 0.00 C ATOM 1648 CG GLU A 101 5.651 -3.497 -20.099 1.00 0.00 C ATOM 1649 CD GLU A 101 6.899 -3.348 -20.947 1.00 0.00 C ATOM 1650 OE1 GLU A 101 7.056 -2.288 -21.589 1.00 0.00 O ATOM 1651 OE2 GLU A 101 7.718 -4.290 -20.970 1.00 0.00 O ATOM 0 H GLU A 101 5.349 -1.357 -16.581 1.00 0.00 H new ATOM 0 HA GLU A 101 3.759 -3.283 -18.166 1.00 0.00 H new ATOM 0 HB2 GLU A 101 5.232 -1.550 -19.319 1.00 0.00 H new ATOM 0 HB3 GLU A 101 6.617 -2.334 -18.586 1.00 0.00 H new ATOM 0 HG2 GLU A 101 5.605 -4.511 -19.701 1.00 0.00 H new ATOM 0 HG3 GLU A 101 4.771 -3.361 -20.727 1.00 0.00 H new ATOM 1658 N GLU A 102 6.070 -3.859 -15.971 1.00 0.00 N ATOM 1659 CA GLU A 102 6.744 -4.898 -15.202 1.00 0.00 C ATOM 1660 C GLU A 102 5.757 -5.635 -14.301 1.00 0.00 C ATOM 1661 O GLU A 102 5.855 -6.849 -14.117 1.00 0.00 O ATOM 1662 CB GLU A 102 7.867 -4.292 -14.357 1.00 0.00 C ATOM 1663 CG GLU A 102 9.167 -4.100 -15.120 1.00 0.00 C ATOM 1664 CD GLU A 102 9.764 -5.410 -15.595 1.00 0.00 C ATOM 1665 OE1 GLU A 102 10.412 -6.098 -14.778 1.00 0.00 O ATOM 1666 OE2 GLU A 102 9.583 -5.748 -16.783 1.00 0.00 O ATOM 0 H GLU A 102 6.176 -2.918 -15.593 1.00 0.00 H new ATOM 0 HA GLU A 102 7.173 -5.613 -15.904 1.00 0.00 H new ATOM 0 HB2 GLU A 102 7.538 -3.328 -13.968 1.00 0.00 H new ATOM 0 HB3 GLU A 102 8.052 -4.936 -13.497 1.00 0.00 H new ATOM 0 HG2 GLU A 102 8.987 -3.454 -15.980 1.00 0.00 H new ATOM 0 HG3 GLU A 102 9.886 -3.588 -14.481 1.00 0.00 H new ATOM 1673 N LEU A 103 4.807 -4.893 -13.743 1.00 0.00 N ATOM 1674 CA LEU A 103 3.801 -5.475 -12.861 1.00 0.00 C ATOM 1675 C LEU A 103 3.174 -6.714 -13.493 1.00 0.00 C ATOM 1676 O LEU A 103 2.734 -7.625 -12.792 1.00 0.00 O ATOM 1677 CB LEU A 103 2.715 -4.445 -12.545 1.00 0.00 C ATOM 1678 CG LEU A 103 3.104 -3.341 -11.560 1.00 0.00 C ATOM 1679 CD1 LEU A 103 2.280 -2.088 -11.812 1.00 0.00 C ATOM 1680 CD2 LEU A 103 2.926 -3.819 -10.126 1.00 0.00 C ATOM 0 H LEU A 103 4.712 -3.887 -13.885 1.00 0.00 H new ATOM 0 HA LEU A 103 4.293 -5.772 -11.935 1.00 0.00 H new ATOM 0 HB2 LEU A 103 2.403 -3.978 -13.479 1.00 0.00 H new ATOM 0 HB3 LEU A 103 1.848 -4.971 -12.146 1.00 0.00 H new ATOM 0 HG LEU A 103 4.155 -3.097 -11.713 1.00 0.00 H new ATOM 0 HD11 LEU A 103 2.570 -1.313 -11.102 1.00 0.00 H new ATOM 0 HD12 LEU A 103 2.457 -1.734 -12.828 1.00 0.00 H new ATOM 0 HD13 LEU A 103 1.222 -2.317 -11.687 1.00 0.00 H new ATOM 0 HD21 LEU A 103 3.207 -3.021 -9.439 1.00 0.00 H new ATOM 0 HD22 LEU A 103 1.883 -4.090 -9.960 1.00 0.00 H new ATOM 0 HD23 LEU A 103 3.560 -4.689 -9.951 1.00 0.00 H new