USER MOD reduce.3.24.130724 H: found=0, std=0, add=1313, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 1317 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: B 11 GLN : amide:sc= 0.0403 K(o=0.085,f=-2.7!) USER MOD Set 1.2: B 15 GLN : amide:sc= 0.0449 K(o=0.085,f=-0.43) USER MOD Set 2.1: B 6 THR OG1 : rot 92:sc= 1.01 USER MOD Set 2.2: B 8 SER OG : rot -91:sc= -0.231 USER MOD Set 2.3: B 9 GLN : amide:sc= 0.773 K(o=1.6,f=-0.5) USER MOD Set 3.1: A 11 GLN : amide:sc= 0.229 X(o=-0.51,f=-0.57) USER MOD Set 3.2: A 15 GLN : amide:sc= -0.742 X(o=-0.51,f=-0.57) USER MOD Set 4.1: A 6 THR OG1 : rot 111:sc= 0.966 USER MOD Set 4.2: A 8 SER OG : rot 90:sc= 0.142 USER MOD Set 4.3: A 9 GLN : amide:sc= 0.723 K(o=1.8,f=-1.1) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 GLN : amide:sc= -0.164 K(o=-0.16,f=-4.6!) USER MOD Single : A 23 THR OG1 : rot 62:sc= 1.27 USER MOD Single : A 35 LYS NZ :NH3+ 141:sc= 1.2 (180deg=0.797) USER MOD Single : A 37 GLN : amide:sc= 0.138 X(o=0.14,f=-0.12) USER MOD Single : A 39 THR OG1 : rot -174:sc= -0.862 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.00951 USER MOD Single : A 43 SER OG : rot 78:sc= 0.632 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0.122 USER MOD Single : A 52 SER OG : rot 83:sc= 0.727 USER MOD Single : A 53 GLN : amide:sc= -2.19! C(o=-2.2!,f=-7.7!) USER MOD Single : A 56 HIS : no HD1:sc= 0.12 K(o=0.12,f=-0.9) USER MOD Single : A 65 LYS NZ :NH3+ -143:sc= 0.693 (180deg=-0.813!) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 HIS : no HE2:sc= 0.115 K(o=0.11,f=-3.1!) USER MOD Single : A 82 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ -161:sc= -0.0176 (180deg=-0.17) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 147:sc= 1.14 (180deg=0.0202) USER MOD Single : B 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 22 GLN : amide:sc= 0.485 K(o=0.49,f=-4.7!) USER MOD Single : B 23 THR OG1 : rot 71:sc= 1.25 USER MOD Single : B 35 LYS NZ :NH3+ -165:sc= 1.27 (180deg=1.13) USER MOD Single : B 37 GLN :FLIP amide:sc= 0 F(o=-0.59,f=0) USER MOD Single : B 39 THR OG1 : rot 180:sc= -1.09 USER MOD Single : B 42 THR OG1 : rot 180:sc= 0.0509 USER MOD Single : B 43 SER OG : rot 77:sc= 0.452 USER MOD Single : B 47 THR OG1 : rot 180:sc= 0.0909 USER MOD Single : B 52 SER OG : rot 79:sc= 1.08 USER MOD Single : B 53 GLN : amide:sc= -0.197 X(o=-0.2,f=-0.031) USER MOD Single : B 56 HIS : no HD1:sc=-0.00534 X(o=-0.0053,f=-0.0071) USER MOD Single : B 75 THR OG1 : rot 180:sc= -0.0311 USER MOD Single : B 81 HIS : no HE2:sc= 0.616 K(o=0.62,f=-3.6!) USER MOD Single : B 82 GLN : amide:sc= -0.254 K(o=-0.25,f=-2.6!) USER MOD Single : B 84 TYR OH : rot 180:sc= 0 USER MOD Single : B 88 LYS NZ :NH3+ 148:sc= -0.38 (180deg=-1.52!) USER MOD ----------------------------------------------------------------- ATOM 64 N ARG A 4 -23.459 6.389 2.317 1.00 0.00 N ATOM 65 CA ARG A 4 -22.886 7.723 2.379 1.00 0.00 C ATOM 66 C ARG A 4 -22.354 7.997 3.775 1.00 0.00 C ATOM 67 O ARG A 4 -22.610 7.236 4.713 1.00 0.00 O ATOM 68 CB ARG A 4 -23.909 8.800 2.010 1.00 0.00 C ATOM 69 CG ARG A 4 -24.740 8.491 0.778 1.00 0.00 C ATOM 70 CD ARG A 4 -26.105 9.144 0.881 1.00 0.00 C ATOM 71 NE ARG A 4 -26.104 10.513 0.362 1.00 0.00 N ATOM 72 CZ ARG A 4 -26.066 11.613 1.124 1.00 0.00 C ATOM 73 NH1 ARG A 4 -26.052 11.518 2.450 1.00 0.00 N ATOM 74 NH2 ARG A 4 -26.049 12.810 0.555 1.00 0.00 N ATOM 0 HA ARG A 4 -22.073 7.762 1.654 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -24.580 8.949 2.856 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -23.383 9.741 1.850 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -24.226 8.849 -0.114 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -24.853 7.412 0.670 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -26.833 8.549 0.330 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -26.424 9.153 1.923 1.00 0.00 H new ATOM 0 HE ARG A 4 -26.134 10.637 -0.650 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -26.070 10.601 2.896 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -26.023 12.362 3.022 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -26.065 12.892 -0.462 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -26.020 13.649 1.134 1.00 0.00 H new ATOM 88 N LEU A 5 -21.641 9.096 3.910 1.00 0.00 N ATOM 89 CA LEU A 5 -21.025 9.457 5.174 1.00 0.00 C ATOM 90 C LEU A 5 -21.220 10.936 5.460 1.00 0.00 C ATOM 91 O LEU A 5 -20.859 11.779 4.648 1.00 0.00 O ATOM 92 CB LEU A 5 -19.528 9.123 5.145 1.00 0.00 C ATOM 93 CG LEU A 5 -18.959 8.532 6.438 1.00 0.00 C ATOM 94 CD1 LEU A 5 -19.720 7.277 6.839 1.00 0.00 C ATOM 95 CD2 LEU A 5 -17.476 8.229 6.273 1.00 0.00 C ATOM 0 H LEU A 5 -21.472 9.760 3.155 1.00 0.00 H new ATOM 0 HA LEU A 5 -21.504 8.883 5.967 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -19.346 8.418 4.333 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -18.975 10.032 4.908 1.00 0.00 H new ATOM 0 HG LEU A 5 -19.077 9.268 7.233 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -19.298 6.875 7.760 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -20.770 7.523 6.998 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -19.638 6.533 6.047 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -17.085 7.809 7.200 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -17.339 7.512 5.464 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -16.941 9.149 6.037 1.00 0.00 H new ATOM 107 N THR A 6 -21.809 11.248 6.606 1.00 0.00 N ATOM 108 CA THR A 6 -21.946 12.632 7.040 1.00 0.00 C ATOM 109 C THR A 6 -20.578 13.184 7.447 1.00 0.00 C ATOM 110 O THR A 6 -19.667 12.409 7.730 1.00 0.00 O ATOM 111 CB THR A 6 -22.935 12.739 8.218 1.00 0.00 C ATOM 112 OG1 THR A 6 -23.308 11.425 8.656 1.00 0.00 O ATOM 113 CG2 THR A 6 -24.183 13.506 7.809 1.00 0.00 C ATOM 0 H THR A 6 -22.200 10.562 7.252 1.00 0.00 H new ATOM 0 HA THR A 6 -22.338 13.221 6.211 1.00 0.00 H new ATOM 0 HB THR A 6 -22.445 13.276 9.030 1.00 0.00 H new ATOM 0 HG1 THR A 6 -22.921 11.253 9.540 1.00 0.00 H new ATOM 0 HG21 THR A 6 -24.866 13.568 8.656 1.00 0.00 H new ATOM 0 HG22 THR A 6 -23.905 14.511 7.492 1.00 0.00 H new ATOM 0 HG23 THR A 6 -24.674 12.989 6.985 1.00 0.00 H new ATOM 121 N GLU A 7 -20.441 14.510 7.489 1.00 0.00 N ATOM 122 CA GLU A 7 -19.142 15.158 7.727 1.00 0.00 C ATOM 123 C GLU A 7 -18.553 14.806 9.095 1.00 0.00 C ATOM 124 O GLU A 7 -17.336 14.832 9.277 1.00 0.00 O ATOM 125 CB GLU A 7 -19.270 16.675 7.594 1.00 0.00 C ATOM 126 CG GLU A 7 -18.899 17.190 6.215 1.00 0.00 C ATOM 127 CD GLU A 7 -17.526 17.828 6.183 1.00 0.00 C ATOM 128 OE1 GLU A 7 -16.531 17.104 5.987 1.00 0.00 O ATOM 129 OE2 GLU A 7 -17.431 19.062 6.365 1.00 0.00 O ATOM 0 H GLU A 7 -21.215 15.162 7.361 1.00 0.00 H new ATOM 0 HA GLU A 7 -18.457 14.779 6.968 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -20.296 16.967 7.820 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -18.631 17.153 8.337 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -18.929 16.365 5.503 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -19.642 17.919 5.891 1.00 0.00 H new ATOM 136 N SER A 8 -19.415 14.475 10.046 1.00 0.00 N ATOM 137 CA SER A 8 -18.978 14.056 11.374 1.00 0.00 C ATOM 138 C SER A 8 -18.283 12.694 11.315 1.00 0.00 C ATOM 139 O SER A 8 -17.202 12.508 11.875 1.00 0.00 O ATOM 140 CB SER A 8 -20.183 13.993 12.307 1.00 0.00 C ATOM 141 OG SER A 8 -21.397 14.112 11.577 1.00 0.00 O ATOM 0 H SER A 8 -20.427 14.488 9.923 1.00 0.00 H new ATOM 0 HA SER A 8 -18.261 14.783 11.754 1.00 0.00 H new ATOM 0 HB2 SER A 8 -20.175 13.051 12.855 1.00 0.00 H new ATOM 0 HB3 SER A 8 -20.118 14.792 13.045 1.00 0.00 H new ATOM 0 HG SER A 8 -21.709 13.221 11.314 1.00 0.00 H new ATOM 147 N GLN A 9 -18.906 11.754 10.608 1.00 0.00 N ATOM 148 CA GLN A 9 -18.353 10.413 10.437 1.00 0.00 C ATOM 149 C GLN A 9 -17.174 10.438 9.466 1.00 0.00 C ATOM 150 O GLN A 9 -16.274 9.600 9.539 1.00 0.00 O ATOM 151 CB GLN A 9 -19.429 9.459 9.918 1.00 0.00 C ATOM 152 CG GLN A 9 -20.381 8.967 10.994 1.00 0.00 C ATOM 153 CD GLN A 9 -21.756 9.588 10.876 1.00 0.00 C ATOM 154 OE1 GLN A 9 -21.914 10.804 10.999 1.00 0.00 O ATOM 155 NE2 GLN A 9 -22.760 8.763 10.631 1.00 0.00 N ATOM 0 H GLN A 9 -19.801 11.898 10.141 1.00 0.00 H new ATOM 0 HA GLN A 9 -18.002 10.062 11.407 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -20.003 9.962 9.140 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -18.946 8.600 9.452 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -20.468 7.882 10.930 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -19.965 9.196 11.975 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -22.586 7.762 10.536 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -23.708 9.127 10.537 1.00 0.00 H new ATOM 164 N PHE A 10 -17.199 11.405 8.555 1.00 0.00 N ATOM 165 CA PHE A 10 -16.115 11.608 7.607 1.00 0.00 C ATOM 166 C PHE A 10 -14.846 12.032 8.334 1.00 0.00 C ATOM 167 O PHE A 10 -13.775 11.492 8.075 1.00 0.00 O ATOM 168 CB PHE A 10 -16.511 12.663 6.575 1.00 0.00 C ATOM 169 CG PHE A 10 -15.664 12.645 5.337 1.00 0.00 C ATOM 170 CD1 PHE A 10 -15.776 11.613 4.422 1.00 0.00 C ATOM 171 CD2 PHE A 10 -14.762 13.665 5.086 1.00 0.00 C ATOM 172 CE1 PHE A 10 -15.003 11.600 3.278 1.00 0.00 C ATOM 173 CE2 PHE A 10 -13.987 13.653 3.945 1.00 0.00 C ATOM 174 CZ PHE A 10 -14.108 12.621 3.041 1.00 0.00 C ATOM 0 H PHE A 10 -17.969 12.066 8.455 1.00 0.00 H new ATOM 0 HA PHE A 10 -15.921 10.667 7.092 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -17.553 12.510 6.294 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -16.446 13.649 7.034 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -16.475 10.810 4.604 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -14.664 14.478 5.790 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -15.100 10.791 2.570 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -13.285 14.453 3.760 1.00 0.00 H new ATOM 0 HZ PHE A 10 -13.502 12.612 2.147 1.00 0.00 H new ATOM 184 N GLN A 11 -14.985 12.990 9.253 1.00 0.00 N ATOM 185 CA GLN A 11 -13.880 13.450 10.083 1.00 0.00 C ATOM 186 C GLN A 11 -13.304 12.318 10.926 1.00 0.00 C ATOM 187 O GLN A 11 -12.099 12.271 11.167 1.00 0.00 O ATOM 188 CB GLN A 11 -14.348 14.579 10.994 1.00 0.00 C ATOM 189 CG GLN A 11 -13.404 15.758 10.992 1.00 0.00 C ATOM 190 CD GLN A 11 -12.649 15.906 12.300 1.00 0.00 C ATOM 191 OE1 GLN A 11 -12.873 16.852 13.054 1.00 0.00 O ATOM 192 NE2 GLN A 11 -11.756 14.971 12.588 1.00 0.00 N ATOM 0 H GLN A 11 -15.868 13.466 9.439 1.00 0.00 H new ATOM 0 HA GLN A 11 -13.095 13.813 9.420 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -15.337 14.910 10.677 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -14.449 14.201 12.011 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -12.690 15.645 10.176 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -13.969 16.670 10.798 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -11.597 14.201 11.939 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -11.228 15.021 13.459 1.00 0.00 H new ATOM 201 N GLU A 12 -14.173 11.414 11.360 1.00 0.00 N ATOM 202 CA GLU A 12 -13.768 10.253 12.139 1.00 0.00 C ATOM 203 C GLU A 12 -12.864 9.338 11.318 1.00 0.00 C ATOM 204 O GLU A 12 -11.890 8.788 11.829 1.00 0.00 O ATOM 205 CB GLU A 12 -15.005 9.482 12.602 1.00 0.00 C ATOM 206 CG GLU A 12 -15.100 9.324 14.107 1.00 0.00 C ATOM 207 CD GLU A 12 -14.094 8.334 14.651 1.00 0.00 C ATOM 208 OE1 GLU A 12 -14.344 7.115 14.561 1.00 0.00 O ATOM 209 OE2 GLU A 12 -13.044 8.768 15.166 1.00 0.00 O ATOM 0 H GLU A 12 -15.176 11.465 11.182 1.00 0.00 H new ATOM 0 HA GLU A 12 -13.210 10.599 13.009 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -15.897 9.995 12.243 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -14.999 8.494 12.142 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -14.944 10.293 14.581 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -16.106 8.998 14.372 1.00 0.00 H new ATOM 216 N ALA A 13 -13.201 9.182 10.043 1.00 0.00 N ATOM 217 CA ALA A 13 -12.442 8.325 9.148 1.00 0.00 C ATOM 218 C ALA A 13 -11.129 8.973 8.704 1.00 0.00 C ATOM 219 O ALA A 13 -10.066 8.363 8.818 1.00 0.00 O ATOM 220 CB ALA A 13 -13.288 7.955 7.938 1.00 0.00 C ATOM 0 H ALA A 13 -14.000 9.642 9.607 1.00 0.00 H new ATOM 0 HA ALA A 13 -12.184 7.421 9.699 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -12.711 7.313 7.273 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -14.182 7.426 8.267 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -13.578 8.861 7.406 1.00 0.00 H new ATOM 226 N ILE A 14 -11.200 10.224 8.235 1.00 0.00 N ATOM 227 CA ILE A 14 -10.045 10.887 7.615 1.00 0.00 C ATOM 228 C ILE A 14 -8.988 11.314 8.632 1.00 0.00 C ATOM 229 O ILE A 14 -7.883 11.703 8.252 1.00 0.00 O ATOM 230 CB ILE A 14 -10.455 12.119 6.777 1.00 0.00 C ATOM 231 CG1 ILE A 14 -11.167 13.156 7.648 1.00 0.00 C ATOM 232 CG2 ILE A 14 -11.333 11.693 5.610 1.00 0.00 C ATOM 233 CD1 ILE A 14 -11.121 14.560 7.086 1.00 0.00 C ATOM 0 H ILE A 14 -12.043 10.797 8.272 1.00 0.00 H new ATOM 0 HA ILE A 14 -9.612 10.133 6.958 1.00 0.00 H new ATOM 0 HB ILE A 14 -9.553 12.583 6.377 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -12.208 12.859 7.773 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -10.714 13.156 8.640 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -11.615 12.570 5.028 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -10.783 10.998 4.976 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -12.231 11.205 5.989 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -11.646 15.238 7.758 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -10.083 14.878 6.987 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -11.600 14.576 6.107 1.00 0.00 H new ATOM 245 N GLN A 15 -9.324 11.241 9.914 1.00 0.00 N ATOM 246 CA GLN A 15 -8.367 11.549 10.970 1.00 0.00 C ATOM 247 C GLN A 15 -7.303 10.458 11.068 1.00 0.00 C ATOM 248 O GLN A 15 -6.170 10.712 11.482 1.00 0.00 O ATOM 249 CB GLN A 15 -9.081 11.716 12.308 1.00 0.00 C ATOM 250 CG GLN A 15 -8.441 12.763 13.207 1.00 0.00 C ATOM 251 CD GLN A 15 -7.876 13.947 12.438 1.00 0.00 C ATOM 252 OE1 GLN A 15 -8.617 14.764 11.894 1.00 0.00 O ATOM 253 NE2 GLN A 15 -6.556 14.044 12.391 1.00 0.00 N ATOM 0 H GLN A 15 -10.250 10.972 10.247 1.00 0.00 H new ATOM 0 HA GLN A 15 -7.875 12.489 10.720 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -10.120 11.991 12.125 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -9.091 10.758 12.828 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -9.182 13.122 13.921 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -7.642 12.298 13.784 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -5.976 13.345 12.856 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -6.119 14.818 11.890 1.00 0.00 H new ATOM 262 N GLY A 16 -7.676 9.249 10.669 1.00 0.00 N ATOM 263 CA GLY A 16 -6.735 8.151 10.621 1.00 0.00 C ATOM 264 C GLY A 16 -6.278 7.862 9.205 1.00 0.00 C ATOM 265 O GLY A 16 -5.812 6.762 8.905 1.00 0.00 O ATOM 0 H GLY A 16 -8.623 9.010 10.376 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -5.870 8.386 11.241 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -7.196 7.258 11.043 1.00 0.00 H new ATOM 269 N LEU A 17 -6.428 8.850 8.330 1.00 0.00 N ATOM 270 CA LEU A 17 -6.031 8.715 6.944 1.00 0.00 C ATOM 271 C LEU A 17 -4.795 9.545 6.652 1.00 0.00 C ATOM 272 O LEU A 17 -4.800 10.767 6.812 1.00 0.00 O ATOM 273 CB LEU A 17 -7.164 9.152 6.014 1.00 0.00 C ATOM 274 CG LEU A 17 -7.791 8.045 5.162 1.00 0.00 C ATOM 275 CD1 LEU A 17 -6.804 6.916 4.912 1.00 0.00 C ATOM 276 CD2 LEU A 17 -9.030 7.515 5.846 1.00 0.00 C ATOM 0 H LEU A 17 -6.826 9.759 8.565 1.00 0.00 H new ATOM 0 HA LEU A 17 -5.804 7.664 6.766 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -7.949 9.608 6.618 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -6.784 9.926 5.348 1.00 0.00 H new ATOM 0 HG LEU A 17 -8.064 8.469 4.196 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -7.279 6.146 4.304 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -5.931 7.305 4.388 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -6.493 6.487 5.865 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -9.473 6.727 5.237 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -8.762 7.111 6.822 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -9.750 8.324 5.973 1.00 0.00 H new ATOM 288 N GLU A 18 -3.736 8.878 6.232 1.00 0.00 N ATOM 289 CA GLU A 18 -2.533 9.563 5.795 1.00 0.00 C ATOM 290 C GLU A 18 -2.567 9.716 4.285 1.00 0.00 C ATOM 291 O GLU A 18 -1.992 8.917 3.545 1.00 0.00 O ATOM 292 CB GLU A 18 -1.285 8.792 6.238 1.00 0.00 C ATOM 293 CG GLU A 18 -1.352 8.305 7.679 1.00 0.00 C ATOM 294 CD GLU A 18 -0.090 8.604 8.456 1.00 0.00 C ATOM 295 OE1 GLU A 18 0.422 9.740 8.358 1.00 0.00 O ATOM 296 OE2 GLU A 18 0.397 7.702 9.171 1.00 0.00 O ATOM 0 H GLU A 18 -3.684 7.860 6.184 1.00 0.00 H new ATOM 0 HA GLU A 18 -2.492 10.552 6.252 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -1.144 7.935 5.579 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -0.411 9.432 6.119 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -2.200 8.774 8.178 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.532 7.230 7.687 1.00 0.00 H new ATOM 303 N VAL A 19 -3.266 10.750 3.842 1.00 0.00 N ATOM 304 CA VAL A 19 -3.432 11.029 2.427 1.00 0.00 C ATOM 305 C VAL A 19 -3.533 12.513 2.198 1.00 0.00 C ATOM 306 O VAL A 19 -3.906 13.274 3.096 1.00 0.00 O ATOM 307 CB VAL A 19 -4.691 10.358 1.813 1.00 0.00 C ATOM 308 CG1 VAL A 19 -4.388 8.950 1.320 1.00 0.00 C ATOM 309 CG2 VAL A 19 -5.850 10.347 2.797 1.00 0.00 C ATOM 0 H VAL A 19 -3.733 11.418 4.455 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.553 10.612 1.935 1.00 0.00 H new ATOM 0 HB VAL A 19 -4.987 10.957 0.952 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -5.291 8.510 0.897 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.612 8.991 0.556 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -4.044 8.339 2.154 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -6.715 9.870 2.335 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -5.564 9.792 3.690 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -6.104 11.371 3.072 1.00 0.00 H new ATOM 319 N GLY A 20 -3.182 12.909 0.992 1.00 0.00 N ATOM 320 CA GLY A 20 -3.341 14.279 0.584 1.00 0.00 C ATOM 321 C GLY A 20 -4.800 14.673 0.510 1.00 0.00 C ATOM 322 O GLY A 20 -5.680 13.824 0.343 1.00 0.00 O ATOM 0 H GLY A 20 -2.785 12.296 0.280 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -2.823 14.931 1.287 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -2.874 14.426 -0.390 1.00 0.00 H new ATOM 326 N GLN A 21 -5.045 15.962 0.634 1.00 0.00 N ATOM 327 CA GLN A 21 -6.403 16.513 0.604 1.00 0.00 C ATOM 328 C GLN A 21 -7.077 16.301 -0.748 1.00 0.00 C ATOM 329 O GLN A 21 -8.294 16.387 -0.850 1.00 0.00 O ATOM 330 CB GLN A 21 -6.377 18.002 0.937 1.00 0.00 C ATOM 331 CG GLN A 21 -6.132 18.294 2.407 1.00 0.00 C ATOM 332 CD GLN A 21 -5.099 19.382 2.609 1.00 0.00 C ATOM 333 OE1 GLN A 21 -3.921 19.102 2.833 1.00 0.00 O ATOM 334 NE2 GLN A 21 -5.536 20.629 2.531 1.00 0.00 N ATOM 0 H GLN A 21 -4.316 16.664 0.759 1.00 0.00 H new ATOM 0 HA GLN A 21 -6.985 15.979 1.355 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -5.599 18.484 0.345 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -7.326 18.448 0.640 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -7.069 18.593 2.877 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -5.801 17.383 2.906 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -6.522 20.813 2.343 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -4.887 21.406 2.658 1.00 0.00 H new ATOM 343 N GLN A 22 -6.280 16.020 -1.773 1.00 0.00 N ATOM 344 CA GLN A 22 -6.800 15.705 -3.101 1.00 0.00 C ATOM 345 C GLN A 22 -7.641 14.430 -3.052 1.00 0.00 C ATOM 346 O GLN A 22 -8.759 14.388 -3.563 1.00 0.00 O ATOM 347 CB GLN A 22 -5.648 15.526 -4.098 1.00 0.00 C ATOM 348 CG GLN A 22 -4.738 16.741 -4.224 1.00 0.00 C ATOM 349 CD GLN A 22 -3.570 16.719 -3.248 1.00 0.00 C ATOM 350 OE1 GLN A 22 -3.425 15.794 -2.444 1.00 0.00 O ATOM 351 NE2 GLN A 22 -2.736 17.743 -3.304 1.00 0.00 N ATOM 0 H GLN A 22 -5.262 16.004 -1.709 1.00 0.00 H new ATOM 0 HA GLN A 22 -7.427 16.534 -3.429 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -5.049 14.667 -3.794 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -6.064 15.294 -5.079 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -4.352 16.794 -5.242 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -5.324 17.645 -4.059 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -2.889 18.489 -3.983 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -1.939 17.787 -2.669 1.00 0.00 H new ATOM 360 N THR A 23 -7.093 13.404 -2.407 1.00 0.00 N ATOM 361 CA THR A 23 -7.776 12.129 -2.242 1.00 0.00 C ATOM 362 C THR A 23 -8.961 12.253 -1.275 1.00 0.00 C ATOM 363 O THR A 23 -9.988 11.595 -1.445 1.00 0.00 O ATOM 364 CB THR A 23 -6.793 11.061 -1.720 1.00 0.00 C ATOM 365 OG1 THR A 23 -5.542 11.676 -1.364 1.00 0.00 O ATOM 366 CG2 THR A 23 -6.545 9.993 -2.771 1.00 0.00 C ATOM 0 H THR A 23 -6.165 13.435 -1.986 1.00 0.00 H new ATOM 0 HA THR A 23 -8.157 11.828 -3.218 1.00 0.00 H new ATOM 0 HB THR A 23 -7.237 10.593 -0.841 1.00 0.00 H new ATOM 0 HG1 THR A 23 -5.688 12.319 -0.639 1.00 0.00 H new ATOM 0 HG21 THR A 23 -5.849 9.252 -2.379 1.00 0.00 H new ATOM 0 HG22 THR A 23 -7.487 9.507 -3.026 1.00 0.00 H new ATOM 0 HG23 THR A 23 -6.121 10.453 -3.664 1.00 0.00 H new ATOM 374 N ILE A 24 -8.812 13.120 -0.273 1.00 0.00 N ATOM 375 CA ILE A 24 -9.859 13.351 0.722 1.00 0.00 C ATOM 376 C ILE A 24 -11.056 14.068 0.091 1.00 0.00 C ATOM 377 O ILE A 24 -12.209 13.744 0.379 1.00 0.00 O ATOM 378 CB ILE A 24 -9.322 14.181 1.917 1.00 0.00 C ATOM 379 CG1 ILE A 24 -8.163 13.442 2.594 1.00 0.00 C ATOM 380 CG2 ILE A 24 -10.427 14.476 2.929 1.00 0.00 C ATOM 381 CD1 ILE A 24 -7.359 14.300 3.549 1.00 0.00 C ATOM 0 H ILE A 24 -7.970 13.677 -0.129 1.00 0.00 H new ATOM 0 HA ILE A 24 -10.182 12.378 1.092 1.00 0.00 H new ATOM 0 HB ILE A 24 -8.960 15.134 1.531 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -8.560 12.585 3.138 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -7.497 13.050 1.825 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -10.018 15.059 3.754 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -11.223 15.042 2.444 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -10.830 13.538 3.312 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -6.558 13.704 3.987 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -6.930 15.143 3.007 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -8.010 14.671 4.341 1.00 0.00 H new ATOM 393 N GLU A 25 -10.770 15.020 -0.794 1.00 0.00 N ATOM 394 CA GLU A 25 -11.801 15.802 -1.455 1.00 0.00 C ATOM 395 C GLU A 25 -12.623 14.950 -2.421 1.00 0.00 C ATOM 396 O GLU A 25 -13.781 15.268 -2.697 1.00 0.00 O ATOM 397 CB GLU A 25 -11.173 16.986 -2.186 1.00 0.00 C ATOM 398 CG GLU A 25 -11.161 18.278 -1.373 1.00 0.00 C ATOM 399 CD GLU A 25 -12.365 18.427 -0.455 1.00 0.00 C ATOM 400 OE1 GLU A 25 -13.482 18.662 -0.963 1.00 0.00 O ATOM 401 OE2 GLU A 25 -12.198 18.323 0.779 1.00 0.00 O ATOM 0 H GLU A 25 -9.820 15.267 -1.069 1.00 0.00 H new ATOM 0 HA GLU A 25 -12.481 16.176 -0.689 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -10.149 16.730 -2.459 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -11.717 17.157 -3.115 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -10.251 18.313 -0.774 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -11.127 19.127 -2.055 1.00 0.00 H new ATOM 408 N ILE A 26 -12.029 13.867 -2.928 1.00 0.00 N ATOM 409 CA ILE A 26 -12.759 12.931 -3.784 1.00 0.00 C ATOM 410 C ILE A 26 -13.899 12.313 -2.991 1.00 0.00 C ATOM 411 O ILE A 26 -15.056 12.355 -3.401 1.00 0.00 O ATOM 412 CB ILE A 26 -11.845 11.801 -4.329 1.00 0.00 C ATOM 413 CG1 ILE A 26 -10.815 12.372 -5.314 1.00 0.00 C ATOM 414 CG2 ILE A 26 -12.668 10.691 -4.993 1.00 0.00 C ATOM 415 CD1 ILE A 26 -11.424 13.011 -6.547 1.00 0.00 C ATOM 0 H ILE A 26 -11.054 13.619 -2.762 1.00 0.00 H new ATOM 0 HA ILE A 26 -13.141 13.491 -4.638 1.00 0.00 H new ATOM 0 HB ILE A 26 -11.314 11.362 -3.484 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -10.206 13.114 -4.797 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -10.145 11.571 -5.627 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -11.999 9.915 -5.364 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -13.354 10.260 -4.263 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -13.237 11.108 -5.824 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -10.630 13.389 -7.191 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -12.009 12.269 -7.090 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -12.072 13.835 -6.248 1.00 0.00 H new ATOM 427 N ALA A 27 -13.559 11.804 -1.818 1.00 0.00 N ATOM 428 CA ALA A 27 -14.518 11.156 -0.943 1.00 0.00 C ATOM 429 C ALA A 27 -15.482 12.166 -0.313 1.00 0.00 C ATOM 430 O ALA A 27 -16.566 11.802 0.137 1.00 0.00 O ATOM 431 CB ALA A 27 -13.776 10.377 0.125 1.00 0.00 C ATOM 0 H ALA A 27 -12.609 11.829 -1.447 1.00 0.00 H new ATOM 0 HA ALA A 27 -15.122 10.470 -1.537 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -14.494 9.889 0.784 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -13.145 9.623 -0.346 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -13.154 11.058 0.706 1.00 0.00 H new ATOM 437 N ARG A 28 -15.088 13.437 -0.300 1.00 0.00 N ATOM 438 CA ARG A 28 -15.925 14.503 0.248 1.00 0.00 C ATOM 439 C ARG A 28 -17.184 14.711 -0.592 1.00 0.00 C ATOM 440 O ARG A 28 -18.214 15.138 -0.081 1.00 0.00 O ATOM 441 CB ARG A 28 -15.138 15.809 0.341 1.00 0.00 C ATOM 442 CG ARG A 28 -15.584 16.709 1.480 1.00 0.00 C ATOM 443 CD ARG A 28 -14.525 16.802 2.564 1.00 0.00 C ATOM 444 NE ARG A 28 -14.942 17.669 3.664 1.00 0.00 N ATOM 445 CZ ARG A 28 -14.548 18.934 3.811 1.00 0.00 C ATOM 446 NH1 ARG A 28 -13.688 19.475 2.952 1.00 0.00 N ATOM 447 NH2 ARG A 28 -15.013 19.652 4.824 1.00 0.00 N ATOM 0 H ARG A 28 -14.190 13.756 -0.664 1.00 0.00 H new ATOM 0 HA ARG A 28 -16.231 14.199 1.249 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -14.080 15.578 0.465 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -15.238 16.351 -0.599 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -15.800 17.705 1.094 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -16.510 16.325 1.907 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -14.312 15.805 2.949 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -13.598 17.182 2.134 1.00 0.00 H new ATOM 0 HE ARG A 28 -15.575 17.282 4.364 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -13.326 18.921 2.175 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -13.390 20.443 3.070 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -15.668 19.236 5.486 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -14.715 20.620 4.942 1.00 0.00 H new ATOM 461 N GLY A 29 -17.097 14.421 -1.879 1.00 0.00 N ATOM 462 CA GLY A 29 -18.267 14.532 -2.731 1.00 0.00 C ATOM 463 C GLY A 29 -18.799 13.178 -3.148 1.00 0.00 C ATOM 464 O GLY A 29 -19.982 13.024 -3.429 1.00 0.00 O ATOM 0 H GLY A 29 -16.246 14.113 -2.349 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -19.048 15.081 -2.204 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -18.014 15.111 -3.619 1.00 0.00 H new ATOM 468 N VAL A 30 -17.922 12.191 -3.170 1.00 0.00 N ATOM 469 CA VAL A 30 -18.276 10.855 -3.599 1.00 0.00 C ATOM 470 C VAL A 30 -18.973 10.086 -2.474 1.00 0.00 C ATOM 471 O VAL A 30 -20.004 9.456 -2.688 1.00 0.00 O ATOM 472 CB VAL A 30 -17.000 10.125 -4.084 1.00 0.00 C ATOM 473 CG1 VAL A 30 -16.981 8.656 -3.717 1.00 0.00 C ATOM 474 CG2 VAL A 30 -16.829 10.307 -5.577 1.00 0.00 C ATOM 0 H VAL A 30 -16.946 12.295 -2.891 1.00 0.00 H new ATOM 0 HA VAL A 30 -18.983 10.914 -4.427 1.00 0.00 H new ATOM 0 HB VAL A 30 -16.157 10.581 -3.565 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -16.061 8.201 -4.085 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -17.030 8.551 -2.633 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -17.838 8.157 -4.169 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -15.928 9.789 -5.906 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -17.695 9.894 -6.095 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -16.741 11.369 -5.806 1.00 0.00 H new ATOM 484 N LEU A 31 -18.417 10.165 -1.274 1.00 0.00 N ATOM 485 CA LEU A 31 -18.947 9.418 -0.140 1.00 0.00 C ATOM 486 C LEU A 31 -19.923 10.259 0.673 1.00 0.00 C ATOM 487 O LEU A 31 -20.999 9.788 1.022 1.00 0.00 O ATOM 488 CB LEU A 31 -17.812 8.917 0.758 1.00 0.00 C ATOM 489 CG LEU A 31 -17.099 7.659 0.259 1.00 0.00 C ATOM 490 CD1 LEU A 31 -15.909 7.334 1.149 1.00 0.00 C ATOM 491 CD2 LEU A 31 -18.065 6.484 0.203 1.00 0.00 C ATOM 0 H LEU A 31 -17.600 10.737 -1.059 1.00 0.00 H new ATOM 0 HA LEU A 31 -19.487 8.559 -0.538 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -17.076 9.714 0.867 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -18.216 8.718 1.751 1.00 0.00 H new ATOM 0 HG LEU A 31 -16.732 7.847 -0.750 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -15.413 6.436 0.780 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -15.207 8.168 1.136 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -16.253 7.165 2.169 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -17.540 5.598 -0.154 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -18.463 6.293 1.199 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -18.884 6.719 -0.476 1.00 0.00 H new ATOM 503 N VAL A 32 -19.550 11.505 0.959 1.00 0.00 N ATOM 504 CA VAL A 32 -20.392 12.393 1.766 1.00 0.00 C ATOM 505 C VAL A 32 -21.708 12.708 1.055 1.00 0.00 C ATOM 506 O VAL A 32 -22.775 12.710 1.673 1.00 0.00 O ATOM 507 CB VAL A 32 -19.662 13.712 2.124 1.00 0.00 C ATOM 508 CG1 VAL A 32 -20.562 14.659 2.912 1.00 0.00 C ATOM 509 CG2 VAL A 32 -18.397 13.421 2.911 1.00 0.00 C ATOM 0 H VAL A 32 -18.674 11.924 0.646 1.00 0.00 H new ATOM 0 HA VAL A 32 -20.610 11.860 2.692 1.00 0.00 H new ATOM 0 HB VAL A 32 -19.397 14.204 1.188 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -20.014 15.572 3.144 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -21.442 14.905 2.317 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -20.874 14.177 3.839 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -17.896 14.358 3.154 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -18.654 12.897 3.832 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -17.731 12.799 2.313 1.00 0.00 H new ATOM 519 N ASP A 33 -21.636 12.949 -0.246 1.00 0.00 N ATOM 520 CA ASP A 33 -22.828 13.271 -1.016 1.00 0.00 C ATOM 521 C ASP A 33 -23.457 12.016 -1.602 1.00 0.00 C ATOM 522 O ASP A 33 -24.608 12.040 -2.044 1.00 0.00 O ATOM 523 CB ASP A 33 -22.503 14.261 -2.132 1.00 0.00 C ATOM 524 CG ASP A 33 -23.484 15.411 -2.175 1.00 0.00 C ATOM 525 OD1 ASP A 33 -23.634 16.104 -1.150 1.00 0.00 O ATOM 526 OD2 ASP A 33 -24.110 15.628 -3.234 1.00 0.00 O ATOM 0 H ASP A 33 -20.772 12.928 -0.787 1.00 0.00 H new ATOM 0 HA ASP A 33 -23.544 13.732 -0.336 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -21.495 14.650 -1.989 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -22.511 13.742 -3.090 1.00 0.00 H new ATOM 531 N GLY A 34 -22.702 10.919 -1.586 1.00 0.00 N ATOM 532 CA GLY A 34 -23.185 9.667 -2.140 1.00 0.00 C ATOM 533 C GLY A 34 -23.360 9.748 -3.637 1.00 0.00 C ATOM 534 O GLY A 34 -24.398 9.361 -4.176 1.00 0.00 O ATOM 0 H GLY A 34 -21.760 10.877 -1.197 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -22.484 8.868 -1.899 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -24.137 9.407 -1.676 1.00 0.00 H new ATOM 538 N LYS A 35 -22.336 10.249 -4.305 1.00 0.00 N ATOM 539 CA LYS A 35 -22.424 10.544 -5.720 1.00 0.00 C ATOM 540 C LYS A 35 -21.615 9.548 -6.549 1.00 0.00 C ATOM 541 O LYS A 35 -20.652 8.961 -6.047 1.00 0.00 O ATOM 542 CB LYS A 35 -21.931 11.968 -5.988 1.00 0.00 C ATOM 543 CG LYS A 35 -23.000 13.026 -5.784 1.00 0.00 C ATOM 544 CD LYS A 35 -22.451 14.426 -6.003 1.00 0.00 C ATOM 545 CE LYS A 35 -23.442 15.305 -6.750 1.00 0.00 C ATOM 546 NZ LYS A 35 -24.675 15.559 -5.958 1.00 0.00 N ATOM 0 H LYS A 35 -21.430 10.460 -3.886 1.00 0.00 H new ATOM 0 HA LYS A 35 -23.469 10.458 -6.017 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -21.088 12.182 -5.330 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -21.560 12.029 -7.011 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -23.826 12.847 -6.472 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -23.403 12.947 -4.774 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -22.215 14.880 -5.040 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -21.519 14.368 -6.565 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -22.968 16.255 -6.997 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -23.710 14.828 -7.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -24.981 16.543 -6.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -25.428 14.915 -6.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -24.479 15.397 -4.950 1.00 0.00 H new ATOM 560 N PRO A 36 -22.017 9.334 -7.824 1.00 0.00 N ATOM 561 CA PRO A 36 -21.289 8.472 -8.770 1.00 0.00 C ATOM 562 C PRO A 36 -19.813 8.854 -8.908 1.00 0.00 C ATOM 563 O PRO A 36 -19.466 10.023 -9.103 1.00 0.00 O ATOM 564 CB PRO A 36 -22.028 8.689 -10.094 1.00 0.00 C ATOM 565 CG PRO A 36 -23.403 9.086 -9.692 1.00 0.00 C ATOM 566 CD PRO A 36 -23.241 9.893 -8.436 1.00 0.00 C ATOM 0 HA PRO A 36 -21.275 7.434 -8.438 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -21.550 9.464 -10.693 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -22.037 7.781 -10.697 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -23.886 9.672 -10.474 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -24.028 8.210 -9.517 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -23.132 10.956 -8.653 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -24.103 9.788 -7.777 1.00 0.00 H new ATOM 574 N GLN A 37 -18.957 7.846 -8.821 1.00 0.00 N ATOM 575 CA GLN A 37 -17.513 8.039 -8.783 1.00 0.00 C ATOM 576 C GLN A 37 -16.942 8.254 -10.183 1.00 0.00 C ATOM 577 O GLN A 37 -15.917 8.917 -10.348 1.00 0.00 O ATOM 578 CB GLN A 37 -16.847 6.825 -8.126 1.00 0.00 C ATOM 579 CG GLN A 37 -17.292 6.579 -6.691 1.00 0.00 C ATOM 580 CD GLN A 37 -18.473 5.628 -6.591 1.00 0.00 C ATOM 581 OE1 GLN A 37 -18.383 4.463 -6.973 1.00 0.00 O ATOM 582 NE2 GLN A 37 -19.593 6.123 -6.087 1.00 0.00 N ATOM 0 H GLN A 37 -19.244 6.868 -8.775 1.00 0.00 H new ATOM 0 HA GLN A 37 -17.305 8.934 -8.196 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -17.064 5.938 -8.721 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -15.766 6.963 -8.142 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -16.456 6.173 -6.122 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -17.559 7.530 -6.231 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -19.628 7.095 -5.781 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -20.420 5.532 -6.005 1.00 0.00 H new ATOM 591 N ALA A 38 -17.622 7.703 -11.188 1.00 0.00 N ATOM 592 CA ALA A 38 -17.161 7.787 -12.572 1.00 0.00 C ATOM 593 C ALA A 38 -17.190 9.222 -13.086 1.00 0.00 C ATOM 594 O ALA A 38 -16.300 9.640 -13.826 1.00 0.00 O ATOM 595 CB ALA A 38 -18.005 6.891 -13.464 1.00 0.00 C ATOM 0 H ALA A 38 -18.497 7.192 -11.068 1.00 0.00 H new ATOM 0 HA ALA A 38 -16.126 7.445 -12.599 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -17.651 6.963 -14.492 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -17.924 5.859 -13.124 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -19.047 7.208 -13.416 1.00 0.00 H new ATOM 601 N THR A 39 -18.206 9.973 -12.679 1.00 0.00 N ATOM 602 CA THR A 39 -18.347 11.363 -13.084 1.00 0.00 C ATOM 603 C THR A 39 -17.239 12.227 -12.484 1.00 0.00 C ATOM 604 O THR A 39 -16.697 13.104 -13.156 1.00 0.00 O ATOM 605 CB THR A 39 -19.714 11.919 -12.654 1.00 0.00 C ATOM 606 OG1 THR A 39 -20.504 10.869 -12.077 1.00 0.00 O ATOM 607 CG2 THR A 39 -20.452 12.524 -13.838 1.00 0.00 C ATOM 0 H THR A 39 -18.948 9.638 -12.065 1.00 0.00 H new ATOM 0 HA THR A 39 -18.270 11.395 -14.171 1.00 0.00 H new ATOM 0 HB THR A 39 -19.549 12.703 -11.915 1.00 0.00 H new ATOM 0 HG1 THR A 39 -21.406 11.203 -11.891 1.00 0.00 H new ATOM 0 HG21 THR A 39 -21.416 12.910 -13.507 1.00 0.00 H new ATOM 0 HG22 THR A 39 -19.860 13.337 -14.259 1.00 0.00 H new ATOM 0 HG23 THR A 39 -20.609 11.759 -14.598 1.00 0.00 H new ATOM 615 N PHE A 40 -16.891 11.945 -11.230 1.00 0.00 N ATOM 616 CA PHE A 40 -15.859 12.693 -10.521 1.00 0.00 C ATOM 617 C PHE A 40 -14.483 12.435 -11.129 1.00 0.00 C ATOM 618 O PHE A 40 -13.634 13.326 -11.169 1.00 0.00 O ATOM 619 CB PHE A 40 -15.863 12.314 -9.039 1.00 0.00 C ATOM 620 CG PHE A 40 -15.944 13.493 -8.107 1.00 0.00 C ATOM 621 CD1 PHE A 40 -16.708 14.603 -8.431 1.00 0.00 C ATOM 622 CD2 PHE A 40 -15.259 13.486 -6.904 1.00 0.00 C ATOM 623 CE1 PHE A 40 -16.787 15.683 -7.573 1.00 0.00 C ATOM 624 CE2 PHE A 40 -15.333 14.563 -6.040 1.00 0.00 C ATOM 625 CZ PHE A 40 -16.098 15.663 -6.375 1.00 0.00 C ATOM 0 H PHE A 40 -17.314 11.196 -10.681 1.00 0.00 H new ATOM 0 HA PHE A 40 -16.078 13.756 -10.617 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -16.707 11.652 -8.846 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -14.958 11.749 -8.816 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -17.248 14.624 -9.366 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -14.659 12.628 -6.637 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -17.386 16.542 -7.838 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -14.793 14.544 -5.105 1.00 0.00 H new ATOM 0 HZ PHE A 40 -16.158 16.506 -5.702 1.00 0.00 H new ATOM 635 N ALA A 41 -14.281 11.211 -11.614 1.00 0.00 N ATOM 636 CA ALA A 41 -13.041 10.828 -12.282 1.00 0.00 C ATOM 637 C ALA A 41 -12.782 11.700 -13.505 1.00 0.00 C ATOM 638 O ALA A 41 -11.677 12.210 -13.687 1.00 0.00 O ATOM 639 CB ALA A 41 -13.089 9.360 -12.678 1.00 0.00 C ATOM 0 H ALA A 41 -14.970 10.461 -11.555 1.00 0.00 H new ATOM 0 HA ALA A 41 -12.219 10.979 -11.582 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -12.158 9.087 -13.175 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -13.218 8.747 -11.786 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -13.926 9.193 -13.357 1.00 0.00 H new ATOM 645 N THR A 42 -13.812 11.893 -14.321 1.00 0.00 N ATOM 646 CA THR A 42 -13.700 12.707 -15.524 1.00 0.00 C ATOM 647 C THR A 42 -13.573 14.201 -15.192 1.00 0.00 C ATOM 648 O THR A 42 -12.972 14.962 -15.948 1.00 0.00 O ATOM 649 CB THR A 42 -14.914 12.484 -16.445 1.00 0.00 C ATOM 650 OG1 THR A 42 -15.354 11.124 -16.342 1.00 0.00 O ATOM 651 CG2 THR A 42 -14.569 12.800 -17.892 1.00 0.00 C ATOM 0 H THR A 42 -14.738 11.494 -14.169 1.00 0.00 H new ATOM 0 HA THR A 42 -12.792 12.394 -16.039 1.00 0.00 H new ATOM 0 HB THR A 42 -15.712 13.156 -16.128 1.00 0.00 H new ATOM 0 HG1 THR A 42 -16.127 10.985 -16.928 1.00 0.00 H new ATOM 0 HG21 THR A 42 -15.445 12.634 -18.519 1.00 0.00 H new ATOM 0 HG22 THR A 42 -14.257 13.841 -17.973 1.00 0.00 H new ATOM 0 HG23 THR A 42 -13.757 12.152 -18.222 1.00 0.00 H new ATOM 659 N SER A 43 -14.115 14.609 -14.047 1.00 0.00 N ATOM 660 CA SER A 43 -14.107 16.013 -13.652 1.00 0.00 C ATOM 661 C SER A 43 -12.739 16.440 -13.123 1.00 0.00 C ATOM 662 O SER A 43 -12.328 17.588 -13.298 1.00 0.00 O ATOM 663 CB SER A 43 -15.177 16.265 -12.588 1.00 0.00 C ATOM 664 OG SER A 43 -16.477 16.035 -13.104 1.00 0.00 O ATOM 0 H SER A 43 -14.565 13.986 -13.377 1.00 0.00 H new ATOM 0 HA SER A 43 -14.326 16.609 -14.538 1.00 0.00 H new ATOM 0 HB2 SER A 43 -15.002 15.614 -11.731 1.00 0.00 H new ATOM 0 HB3 SER A 43 -15.102 17.291 -12.229 1.00 0.00 H new ATOM 0 HG SER A 43 -16.647 15.071 -13.145 1.00 0.00 H new ATOM 670 N LEU A 44 -12.037 15.519 -12.476 1.00 0.00 N ATOM 671 CA LEU A 44 -10.752 15.837 -11.866 1.00 0.00 C ATOM 672 C LEU A 44 -9.582 15.398 -12.743 1.00 0.00 C ATOM 673 O LEU A 44 -8.437 15.773 -12.492 1.00 0.00 O ATOM 674 CB LEU A 44 -10.648 15.191 -10.478 1.00 0.00 C ATOM 675 CG LEU A 44 -11.198 16.028 -9.309 1.00 0.00 C ATOM 676 CD1 LEU A 44 -11.131 17.516 -9.618 1.00 0.00 C ATOM 677 CD2 LEU A 44 -12.628 15.622 -8.985 1.00 0.00 C ATOM 0 H LEU A 44 -12.334 14.550 -12.360 1.00 0.00 H new ATOM 0 HA LEU A 44 -10.696 16.921 -11.763 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -11.178 14.239 -10.500 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -9.600 14.968 -10.279 1.00 0.00 H new ATOM 0 HG LEU A 44 -10.572 15.833 -8.438 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -11.526 18.081 -8.774 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -10.095 17.805 -9.795 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -11.724 17.730 -10.507 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -12.999 16.225 -8.156 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -13.258 15.781 -9.860 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -12.653 14.568 -8.707 1.00 0.00 H new ATOM 689 N GLY A 45 -9.873 14.600 -13.766 1.00 0.00 N ATOM 690 CA GLY A 45 -8.833 14.118 -14.661 1.00 0.00 C ATOM 691 C GLY A 45 -8.136 12.890 -14.111 1.00 0.00 C ATOM 692 O GLY A 45 -7.055 12.511 -14.567 1.00 0.00 O ATOM 0 H GLY A 45 -10.814 14.277 -13.993 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -9.270 13.883 -15.631 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -8.100 14.908 -14.824 1.00 0.00 H new ATOM 696 N LEU A 46 -8.767 12.265 -13.128 1.00 0.00 N ATOM 697 CA LEU A 46 -8.204 11.106 -12.466 1.00 0.00 C ATOM 698 C LEU A 46 -8.603 9.829 -13.186 1.00 0.00 C ATOM 699 O LEU A 46 -9.573 9.807 -13.950 1.00 0.00 O ATOM 700 CB LEU A 46 -8.699 11.039 -11.019 1.00 0.00 C ATOM 701 CG LEU A 46 -7.765 11.612 -9.944 1.00 0.00 C ATOM 702 CD1 LEU A 46 -7.066 12.880 -10.419 1.00 0.00 C ATOM 703 CD2 LEU A 46 -8.563 11.889 -8.684 1.00 0.00 C ATOM 0 H LEU A 46 -9.679 12.548 -12.771 1.00 0.00 H new ATOM 0 HA LEU A 46 -7.118 11.200 -12.482 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -9.650 11.568 -10.960 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -8.898 9.995 -10.775 1.00 0.00 H new ATOM 0 HG LEU A 46 -6.989 10.875 -9.736 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -6.414 13.254 -9.629 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -6.472 12.658 -11.305 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -7.812 13.637 -10.663 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -7.903 12.296 -7.918 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -9.352 12.609 -8.904 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -9.008 10.961 -8.324 1.00 0.00 H new ATOM 715 N THR A 47 -7.848 8.772 -12.941 1.00 0.00 N ATOM 716 CA THR A 47 -8.208 7.450 -13.410 1.00 0.00 C ATOM 717 C THR A 47 -9.337 6.897 -12.544 1.00 0.00 C ATOM 718 O THR A 47 -9.518 7.339 -11.405 1.00 0.00 O ATOM 719 CB THR A 47 -6.995 6.503 -13.345 1.00 0.00 C ATOM 720 OG1 THR A 47 -5.926 7.131 -12.620 1.00 0.00 O ATOM 721 CG2 THR A 47 -6.519 6.138 -14.741 1.00 0.00 C ATOM 0 H THR A 47 -6.975 8.807 -12.415 1.00 0.00 H new ATOM 0 HA THR A 47 -8.537 7.521 -14.447 1.00 0.00 H new ATOM 0 HB THR A 47 -7.299 5.590 -12.832 1.00 0.00 H new ATOM 0 HG1 THR A 47 -5.157 6.524 -12.580 1.00 0.00 H new ATOM 0 HG21 THR A 47 -5.662 5.469 -14.670 1.00 0.00 H new ATOM 0 HG22 THR A 47 -7.324 5.640 -15.281 1.00 0.00 H new ATOM 0 HG23 THR A 47 -6.229 7.043 -15.275 1.00 0.00 H new ATOM 729 N ARG A 48 -10.098 5.945 -13.074 1.00 0.00 N ATOM 730 CA ARG A 48 -11.196 5.342 -12.320 1.00 0.00 C ATOM 731 C ARG A 48 -10.659 4.616 -11.090 1.00 0.00 C ATOM 732 O ARG A 48 -11.229 4.718 -10.008 1.00 0.00 O ATOM 733 CB ARG A 48 -11.991 4.374 -13.199 1.00 0.00 C ATOM 734 CG ARG A 48 -13.477 4.323 -12.864 1.00 0.00 C ATOM 735 CD ARG A 48 -13.841 3.052 -12.105 1.00 0.00 C ATOM 736 NE ARG A 48 -13.357 1.848 -12.784 1.00 0.00 N ATOM 737 CZ ARG A 48 -13.176 0.666 -12.194 1.00 0.00 C ATOM 738 NH1 ARG A 48 -13.471 0.494 -10.909 1.00 0.00 N ATOM 739 NH2 ARG A 48 -12.707 -0.350 -12.906 1.00 0.00 N ATOM 0 H ARG A 48 -9.977 5.575 -14.017 1.00 0.00 H new ATOM 0 HA ARG A 48 -11.864 6.139 -11.995 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -11.873 4.664 -14.243 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -11.570 3.374 -13.096 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -13.745 5.194 -12.265 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -14.059 4.377 -13.784 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -13.419 3.096 -11.101 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -14.924 2.994 -11.993 1.00 0.00 H new ATOM 0 HE ARG A 48 -13.143 1.919 -13.779 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -13.841 1.272 -10.362 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -13.328 -0.416 -10.470 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -12.489 -0.223 -13.894 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -12.564 -1.259 -12.465 1.00 0.00 H new ATOM 753 N GLY A 49 -9.538 3.917 -11.267 1.00 0.00 N ATOM 754 CA GLY A 49 -8.909 3.200 -10.171 1.00 0.00 C ATOM 755 C GLY A 49 -8.361 4.123 -9.095 1.00 0.00 C ATOM 756 O GLY A 49 -8.246 3.722 -7.940 1.00 0.00 O ATOM 0 H GLY A 49 -9.051 3.835 -12.160 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -9.635 2.521 -9.724 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -8.098 2.586 -10.563 1.00 0.00 H new ATOM 760 N ALA A 50 -8.022 5.357 -9.471 1.00 0.00 N ATOM 761 CA ALA A 50 -7.521 6.342 -8.513 1.00 0.00 C ATOM 762 C ALA A 50 -8.659 6.908 -7.672 1.00 0.00 C ATOM 763 O ALA A 50 -8.510 7.101 -6.464 1.00 0.00 O ATOM 764 CB ALA A 50 -6.788 7.470 -9.224 1.00 0.00 C ATOM 0 H ALA A 50 -8.085 5.697 -10.431 1.00 0.00 H new ATOM 0 HA ALA A 50 -6.818 5.834 -7.853 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -6.426 8.189 -8.489 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -5.944 7.062 -9.779 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -7.469 7.969 -9.914 1.00 0.00 H new ATOM 770 N VAL A 51 -9.793 7.165 -8.320 1.00 0.00 N ATOM 771 CA VAL A 51 -10.968 7.690 -7.635 1.00 0.00 C ATOM 772 C VAL A 51 -11.508 6.666 -6.639 1.00 0.00 C ATOM 773 O VAL A 51 -11.713 6.988 -5.471 1.00 0.00 O ATOM 774 CB VAL A 51 -12.072 8.100 -8.640 1.00 0.00 C ATOM 775 CG1 VAL A 51 -13.395 8.400 -7.941 1.00 0.00 C ATOM 776 CG2 VAL A 51 -11.616 9.309 -9.434 1.00 0.00 C ATOM 0 H VAL A 51 -9.921 7.017 -9.321 1.00 0.00 H new ATOM 0 HA VAL A 51 -10.664 8.584 -7.090 1.00 0.00 H new ATOM 0 HB VAL A 51 -12.241 7.259 -9.313 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -14.142 8.684 -8.682 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -13.733 7.513 -7.406 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -13.256 9.218 -7.235 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -12.395 9.595 -10.141 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -11.420 10.138 -8.754 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -10.704 9.064 -9.979 1.00 0.00 H new ATOM 786 N SER A 52 -11.690 5.424 -7.097 1.00 0.00 N ATOM 787 CA SER A 52 -12.172 4.341 -6.244 1.00 0.00 C ATOM 788 C SER A 52 -11.177 4.016 -5.124 1.00 0.00 C ATOM 789 O SER A 52 -11.564 3.498 -4.076 1.00 0.00 O ATOM 790 CB SER A 52 -12.440 3.097 -7.087 1.00 0.00 C ATOM 791 OG SER A 52 -13.136 3.433 -8.274 1.00 0.00 O ATOM 0 H SER A 52 -11.508 5.145 -8.061 1.00 0.00 H new ATOM 0 HA SER A 52 -13.099 4.670 -5.776 1.00 0.00 H new ATOM 0 HB2 SER A 52 -11.496 2.613 -7.338 1.00 0.00 H new ATOM 0 HB3 SER A 52 -13.023 2.380 -6.509 1.00 0.00 H new ATOM 0 HG SER A 52 -12.498 3.744 -8.950 1.00 0.00 H new ATOM 797 N GLN A 53 -9.902 4.329 -5.349 1.00 0.00 N ATOM 798 CA GLN A 53 -8.874 4.158 -4.327 1.00 0.00 C ATOM 799 C GLN A 53 -9.098 5.143 -3.184 1.00 0.00 C ATOM 800 O GLN A 53 -8.910 4.796 -2.025 1.00 0.00 O ATOM 801 CB GLN A 53 -7.480 4.357 -4.940 1.00 0.00 C ATOM 802 CG GLN A 53 -6.331 4.238 -3.946 1.00 0.00 C ATOM 803 CD GLN A 53 -5.696 5.577 -3.592 1.00 0.00 C ATOM 804 OE1 GLN A 53 -4.991 5.691 -2.590 1.00 0.00 O ATOM 805 NE2 GLN A 53 -5.941 6.600 -4.400 1.00 0.00 N ATOM 0 H GLN A 53 -9.557 4.703 -6.233 1.00 0.00 H new ATOM 0 HA GLN A 53 -8.938 3.145 -3.930 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -7.337 3.622 -5.732 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -7.439 5.341 -5.407 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -6.697 3.765 -3.034 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -5.567 3.581 -4.362 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -6.530 6.471 -5.223 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -5.540 7.516 -4.199 1.00 0.00 H new ATOM 814 N ALA A 54 -9.510 6.363 -3.521 1.00 0.00 N ATOM 815 CA ALA A 54 -9.810 7.384 -2.524 1.00 0.00 C ATOM 816 C ALA A 54 -11.105 7.063 -1.797 1.00 0.00 C ATOM 817 O ALA A 54 -11.227 7.317 -0.597 1.00 0.00 O ATOM 818 CB ALA A 54 -9.894 8.751 -3.179 1.00 0.00 C ATOM 0 H ALA A 54 -9.644 6.669 -4.485 1.00 0.00 H new ATOM 0 HA ALA A 54 -9.003 7.397 -1.792 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -10.119 9.503 -2.423 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -8.941 8.986 -3.653 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -10.683 8.746 -3.931 1.00 0.00 H new ATOM 824 N VAL A 55 -12.064 6.496 -2.531 1.00 0.00 N ATOM 825 CA VAL A 55 -13.311 6.033 -1.938 1.00 0.00 C ATOM 826 C VAL A 55 -13.015 4.976 -0.885 1.00 0.00 C ATOM 827 O VAL A 55 -13.413 5.110 0.268 1.00 0.00 O ATOM 828 CB VAL A 55 -14.264 5.427 -2.998 1.00 0.00 C ATOM 829 CG1 VAL A 55 -15.612 5.078 -2.386 1.00 0.00 C ATOM 830 CG2 VAL A 55 -14.450 6.373 -4.169 1.00 0.00 C ATOM 0 H VAL A 55 -11.997 6.348 -3.538 1.00 0.00 H new ATOM 0 HA VAL A 55 -13.801 6.897 -1.489 1.00 0.00 H new ATOM 0 HB VAL A 55 -13.804 4.510 -3.366 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -16.261 4.655 -3.153 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -15.471 4.350 -1.587 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -16.071 5.979 -1.979 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -15.124 5.922 -4.898 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -14.875 7.312 -3.814 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -13.485 6.566 -4.638 1.00 0.00 H new ATOM 840 N HIS A 56 -12.276 3.945 -1.287 1.00 0.00 N ATOM 841 CA HIS A 56 -11.914 2.870 -0.378 1.00 0.00 C ATOM 842 C HIS A 56 -10.963 3.331 0.722 1.00 0.00 C ATOM 843 O HIS A 56 -11.013 2.801 1.810 1.00 0.00 O ATOM 844 CB HIS A 56 -11.337 1.653 -1.101 1.00 0.00 C ATOM 845 CG HIS A 56 -11.440 0.409 -0.258 1.00 0.00 C ATOM 846 ND1 HIS A 56 -10.407 -0.480 -0.077 1.00 0.00 N ATOM 847 CD2 HIS A 56 -12.464 -0.048 0.507 1.00 0.00 C ATOM 848 CE1 HIS A 56 -10.789 -1.428 0.763 1.00 0.00 C ATOM 849 NE2 HIS A 56 -12.035 -1.189 1.135 1.00 0.00 N ATOM 0 H HIS A 56 -11.918 3.835 -2.236 1.00 0.00 H new ATOM 0 HA HIS A 56 -12.849 2.564 0.091 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -11.868 1.502 -2.041 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -10.292 1.839 -1.351 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -13.440 0.405 0.604 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -10.183 -2.260 1.091 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -12.584 -1.757 1.780 1.00 0.00 H new ATOM 858 N ARG A 57 -10.078 4.278 0.429 1.00 0.00 N ATOM 859 CA ARG A 57 -9.116 4.766 1.424 1.00 0.00 C ATOM 860 C ARG A 57 -9.823 5.301 2.664 1.00 0.00 C ATOM 861 O ARG A 57 -9.511 4.901 3.785 1.00 0.00 O ATOM 862 CB ARG A 57 -8.225 5.858 0.827 1.00 0.00 C ATOM 863 CG ARG A 57 -6.775 5.785 1.283 1.00 0.00 C ATOM 864 CD ARG A 57 -6.196 4.390 1.103 1.00 0.00 C ATOM 865 NE ARG A 57 -5.298 4.314 -0.046 1.00 0.00 N ATOM 866 CZ ARG A 57 -4.384 3.360 -0.224 1.00 0.00 C ATOM 867 NH1 ARG A 57 -4.253 2.379 0.663 1.00 0.00 N ATOM 868 NH2 ARG A 57 -3.605 3.392 -1.296 1.00 0.00 N ATOM 0 H ARG A 57 -10.003 4.725 -0.485 1.00 0.00 H new ATOM 0 HA ARG A 57 -8.495 3.920 1.718 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -8.258 5.787 -0.260 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -8.632 6.833 1.095 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -6.180 6.502 0.717 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -6.709 6.073 2.332 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -5.656 4.103 2.005 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -7.008 3.674 0.976 1.00 0.00 H new ATOM 0 HE ARG A 57 -5.375 5.039 -0.760 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -4.854 2.353 1.487 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -3.551 1.653 0.520 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -3.707 4.143 -1.978 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -2.904 2.665 -1.439 1.00 0.00 H new ATOM 882 N VAL A 58 -10.788 6.183 2.450 1.00 0.00 N ATOM 883 CA VAL A 58 -11.552 6.764 3.543 1.00 0.00 C ATOM 884 C VAL A 58 -12.532 5.743 4.112 1.00 0.00 C ATOM 885 O VAL A 58 -12.707 5.643 5.331 1.00 0.00 O ATOM 886 CB VAL A 58 -12.307 8.026 3.076 1.00 0.00 C ATOM 887 CG1 VAL A 58 -13.138 8.629 4.200 1.00 0.00 C ATOM 888 CG2 VAL A 58 -11.322 9.047 2.535 1.00 0.00 C ATOM 0 H VAL A 58 -11.061 6.513 1.524 1.00 0.00 H new ATOM 0 HA VAL A 58 -10.853 7.053 4.328 1.00 0.00 H new ATOM 0 HB VAL A 58 -12.994 7.735 2.281 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -13.656 9.516 3.834 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -13.870 7.898 4.544 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -12.485 8.905 5.028 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -11.862 9.935 2.207 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -10.615 9.321 3.318 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -10.781 8.619 1.691 1.00 0.00 H new ATOM 898 N TRP A 59 -13.137 4.961 3.223 1.00 0.00 N ATOM 899 CA TRP A 59 -14.122 3.965 3.628 1.00 0.00 C ATOM 900 C TRP A 59 -13.492 2.849 4.458 1.00 0.00 C ATOM 901 O TRP A 59 -14.130 2.333 5.354 1.00 0.00 O ATOM 902 CB TRP A 59 -14.833 3.370 2.411 1.00 0.00 C ATOM 903 CG TRP A 59 -16.180 2.803 2.736 1.00 0.00 C ATOM 904 CD1 TRP A 59 -16.552 1.494 2.662 1.00 0.00 C ATOM 905 CD2 TRP A 59 -17.333 3.524 3.195 1.00 0.00 C ATOM 906 NE1 TRP A 59 -17.860 1.352 3.052 1.00 0.00 N ATOM 907 CE2 TRP A 59 -18.363 2.583 3.379 1.00 0.00 C ATOM 908 CE3 TRP A 59 -17.595 4.869 3.468 1.00 0.00 C ATOM 909 CZ2 TRP A 59 -19.633 2.944 3.823 1.00 0.00 C ATOM 910 CZ3 TRP A 59 -18.854 5.226 3.907 1.00 0.00 C ATOM 911 CH2 TRP A 59 -19.860 4.268 4.082 1.00 0.00 C ATOM 0 H TRP A 59 -12.962 4.998 2.219 1.00 0.00 H new ATOM 0 HA TRP A 59 -14.855 4.478 4.251 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -14.945 4.142 1.650 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -14.210 2.586 1.981 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -15.911 0.686 2.343 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -18.374 0.472 3.092 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -16.826 5.616 3.338 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -20.410 2.206 3.958 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -19.067 6.263 4.119 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -20.834 4.580 4.428 1.00 0.00 H new ATOM 922 N ALA A 60 -12.236 2.505 4.173 1.00 0.00 N ATOM 923 CA ALA A 60 -11.539 1.419 4.872 1.00 0.00 C ATOM 924 C ALA A 60 -11.241 1.779 6.319 1.00 0.00 C ATOM 925 O ALA A 60 -11.182 0.900 7.177 1.00 0.00 O ATOM 926 CB ALA A 60 -10.247 1.044 4.161 1.00 0.00 C ATOM 0 H ALA A 60 -11.674 2.966 3.457 1.00 0.00 H new ATOM 0 HA ALA A 60 -12.210 0.560 4.863 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -9.754 0.237 4.703 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -10.472 0.715 3.147 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -9.588 1.911 4.123 1.00 0.00 H new ATOM 932 N ALA A 61 -11.028 3.064 6.583 1.00 0.00 N ATOM 933 CA ALA A 61 -10.834 3.535 7.948 1.00 0.00 C ATOM 934 C ALA A 61 -12.131 3.393 8.734 1.00 0.00 C ATOM 935 O ALA A 61 -12.125 3.030 9.910 1.00 0.00 O ATOM 936 CB ALA A 61 -10.365 4.978 7.956 1.00 0.00 C ATOM 0 H ALA A 61 -10.986 3.795 5.872 1.00 0.00 H new ATOM 0 HA ALA A 61 -10.064 2.926 8.422 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -10.226 5.310 8.985 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -9.420 5.056 7.419 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -11.112 5.606 7.470 1.00 0.00 H new ATOM 942 N PHE A 62 -13.243 3.677 8.061 1.00 0.00 N ATOM 943 CA PHE A 62 -14.566 3.479 8.644 1.00 0.00 C ATOM 944 C PHE A 62 -14.902 1.985 8.747 1.00 0.00 C ATOM 945 O PHE A 62 -15.530 1.551 9.711 1.00 0.00 O ATOM 946 CB PHE A 62 -15.623 4.198 7.805 1.00 0.00 C ATOM 947 CG PHE A 62 -16.818 4.634 8.599 1.00 0.00 C ATOM 948 CD1 PHE A 62 -16.733 5.704 9.475 1.00 0.00 C ATOM 949 CD2 PHE A 62 -18.025 3.971 8.473 1.00 0.00 C ATOM 950 CE1 PHE A 62 -17.830 6.104 10.210 1.00 0.00 C ATOM 951 CE2 PHE A 62 -19.128 4.366 9.205 1.00 0.00 C ATOM 952 CZ PHE A 62 -19.030 5.434 10.076 1.00 0.00 C ATOM 0 H PHE A 62 -13.254 4.046 7.110 1.00 0.00 H new ATOM 0 HA PHE A 62 -14.562 3.899 9.650 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -15.171 5.071 7.334 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -15.951 3.537 7.003 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -15.797 6.231 9.584 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -18.106 3.135 7.794 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -17.750 6.940 10.889 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -20.065 3.841 9.097 1.00 0.00 H new ATOM 0 HZ PHE A 62 -19.890 5.744 10.651 1.00 0.00 H new ATOM 962 N GLU A 63 -14.477 1.222 7.743 1.00 0.00 N ATOM 963 CA GLU A 63 -14.673 -0.229 7.687 1.00 0.00 C ATOM 964 C GLU A 63 -13.986 -0.923 8.855 1.00 0.00 C ATOM 965 O GLU A 63 -14.577 -1.769 9.520 1.00 0.00 O ATOM 966 CB GLU A 63 -14.110 -0.787 6.372 1.00 0.00 C ATOM 967 CG GLU A 63 -15.073 -0.709 5.199 1.00 0.00 C ATOM 968 CD GLU A 63 -14.510 -1.294 3.912 1.00 0.00 C ATOM 969 OE1 GLU A 63 -13.271 -1.398 3.775 1.00 0.00 O ATOM 970 OE2 GLU A 63 -15.314 -1.652 3.026 1.00 0.00 O ATOM 0 H GLU A 63 -13.980 1.596 6.934 1.00 0.00 H new ATOM 0 HA GLU A 63 -15.744 -0.422 7.744 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -13.201 -0.241 6.118 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -13.825 -1.828 6.525 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -15.991 -1.236 5.457 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -15.341 0.334 5.028 1.00 0.00 H new ATOM 977 N ASP A 64 -12.739 -0.542 9.101 1.00 0.00 N ATOM 978 CA ASP A 64 -11.931 -1.136 10.166 1.00 0.00 C ATOM 979 C ASP A 64 -12.567 -0.918 11.535 1.00 0.00 C ATOM 980 O ASP A 64 -12.470 -1.766 12.421 1.00 0.00 O ATOM 981 CB ASP A 64 -10.523 -0.534 10.149 1.00 0.00 C ATOM 982 CG ASP A 64 -9.493 -1.424 10.813 1.00 0.00 C ATOM 983 OD1 ASP A 64 -9.265 -2.548 10.322 1.00 0.00 O ATOM 984 OD2 ASP A 64 -8.898 -0.996 11.826 1.00 0.00 O ATOM 0 H ASP A 64 -12.258 0.185 8.572 1.00 0.00 H new ATOM 0 HA ASP A 64 -11.874 -2.209 9.985 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -10.225 -0.349 9.117 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -10.540 0.432 10.654 1.00 0.00 H new ATOM 989 N LYS A 65 -13.230 0.219 11.693 1.00 0.00 N ATOM 990 CA LYS A 65 -13.874 0.559 12.951 1.00 0.00 C ATOM 991 C LYS A 65 -15.254 -0.081 13.074 1.00 0.00 C ATOM 992 O LYS A 65 -15.658 -0.502 14.159 1.00 0.00 O ATOM 993 CB LYS A 65 -14.006 2.075 13.079 1.00 0.00 C ATOM 994 CG LYS A 65 -12.685 2.789 13.290 1.00 0.00 C ATOM 995 CD LYS A 65 -12.903 4.230 13.712 1.00 0.00 C ATOM 996 CE LYS A 65 -12.126 5.199 12.837 1.00 0.00 C ATOM 997 NZ LYS A 65 -11.645 6.372 13.614 1.00 0.00 N ATOM 0 H LYS A 65 -13.335 0.923 10.962 1.00 0.00 H new ATOM 0 HA LYS A 65 -13.247 0.170 13.754 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -14.480 2.466 12.179 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -14.669 2.303 13.913 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -12.104 2.268 14.051 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -12.102 2.761 12.369 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -13.966 4.467 13.661 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -12.598 4.354 14.751 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -11.276 4.685 12.390 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -12.760 5.539 12.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -11.702 7.226 13.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -12.238 6.495 14.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -10.658 6.216 13.903 1.00 0.00 H new ATOM 1101 N ALA A 72 -10.789 -10.488 1.836 1.00 0.00 N ATOM 1102 CA ALA A 72 -9.599 -10.286 2.647 1.00 0.00 C ATOM 1103 C ALA A 72 -8.348 -10.569 1.829 1.00 0.00 C ATOM 1104 O ALA A 72 -8.334 -11.471 0.994 1.00 0.00 O ATOM 1105 CB ALA A 72 -9.643 -11.177 3.879 1.00 0.00 C ATOM 0 HA ALA A 72 -9.571 -9.246 2.973 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -8.746 -11.016 4.477 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -10.524 -10.933 4.473 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -9.691 -12.222 3.571 1.00 0.00 H new ATOM 1111 N ARG A 73 -7.309 -9.784 2.057 1.00 0.00 N ATOM 1112 CA ARG A 73 -6.048 -9.965 1.352 1.00 0.00 C ATOM 1113 C ARG A 73 -4.929 -10.277 2.336 1.00 0.00 C ATOM 1114 O ARG A 73 -4.636 -9.486 3.238 1.00 0.00 O ATOM 1115 CB ARG A 73 -5.698 -8.719 0.525 1.00 0.00 C ATOM 1116 CG ARG A 73 -5.924 -7.406 1.265 1.00 0.00 C ATOM 1117 CD ARG A 73 -6.315 -6.271 0.329 1.00 0.00 C ATOM 1118 NE ARG A 73 -7.281 -6.683 -0.695 1.00 0.00 N ATOM 1119 CZ ARG A 73 -8.598 -6.805 -0.488 1.00 0.00 C ATOM 1120 NH1 ARG A 73 -9.110 -6.622 0.725 1.00 0.00 N ATOM 1121 NH2 ARG A 73 -9.399 -7.121 -1.497 1.00 0.00 N ATOM 0 H ARG A 73 -7.312 -9.014 2.725 1.00 0.00 H new ATOM 0 HA ARG A 73 -6.160 -10.807 0.669 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -4.653 -8.778 0.220 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -6.296 -8.719 -0.386 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -6.706 -7.543 2.012 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -5.015 -7.134 1.802 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -6.739 -5.454 0.914 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -5.420 -5.884 -0.158 1.00 0.00 H new ATOM 0 HE ARG A 73 -6.925 -6.891 -1.628 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -8.498 -6.387 1.507 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -10.115 -6.717 0.874 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -9.011 -7.271 -2.428 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -10.403 -7.214 -1.341 1.00 0.00 H new ATOM 1135 N VAL A 74 -4.315 -11.437 2.176 1.00 0.00 N ATOM 1136 CA VAL A 74 -3.201 -11.819 3.031 1.00 0.00 C ATOM 1137 C VAL A 74 -1.874 -11.416 2.390 1.00 0.00 C ATOM 1138 O VAL A 74 -1.726 -11.442 1.165 1.00 0.00 O ATOM 1139 CB VAL A 74 -3.197 -13.337 3.357 1.00 0.00 C ATOM 1140 CG1 VAL A 74 -4.490 -13.743 4.048 1.00 0.00 C ATOM 1141 CG2 VAL A 74 -2.970 -14.180 2.107 1.00 0.00 C ATOM 0 H VAL A 74 -4.566 -12.127 1.468 1.00 0.00 H new ATOM 0 HA VAL A 74 -3.326 -11.285 3.973 1.00 0.00 H new ATOM 0 HB VAL A 74 -2.366 -13.524 4.037 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -4.466 -14.810 4.267 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -4.597 -13.184 4.978 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -5.335 -13.526 3.395 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -2.974 -15.237 2.375 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -3.765 -13.985 1.388 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -2.008 -13.922 1.664 1.00 0.00 H new ATOM 1151 N THR A 75 -0.929 -11.001 3.218 1.00 0.00 N ATOM 1152 CA THR A 75 0.401 -10.652 2.750 1.00 0.00 C ATOM 1153 C THR A 75 1.435 -11.575 3.374 1.00 0.00 C ATOM 1154 O THR A 75 1.553 -11.651 4.597 1.00 0.00 O ATOM 1155 CB THR A 75 0.763 -9.192 3.088 1.00 0.00 C ATOM 1156 OG1 THR A 75 -0.424 -8.394 3.163 1.00 0.00 O ATOM 1157 CG2 THR A 75 1.702 -8.611 2.044 1.00 0.00 C ATOM 0 H THR A 75 -1.061 -10.897 4.224 1.00 0.00 H new ATOM 0 HA THR A 75 0.402 -10.765 1.666 1.00 0.00 H new ATOM 0 HB THR A 75 1.267 -9.184 4.054 1.00 0.00 H new ATOM 0 HG1 THR A 75 -0.183 -7.469 3.380 1.00 0.00 H new ATOM 0 HG21 THR A 75 1.943 -7.580 2.305 1.00 0.00 H new ATOM 0 HG22 THR A 75 2.618 -9.200 2.011 1.00 0.00 H new ATOM 0 HG23 THR A 75 1.219 -8.635 1.067 1.00 0.00 H new ATOM 1165 N ALA A 76 2.161 -12.287 2.532 1.00 0.00 N ATOM 1166 CA ALA A 76 3.206 -13.180 2.994 1.00 0.00 C ATOM 1167 C ALA A 76 4.461 -12.984 2.171 1.00 0.00 C ATOM 1168 O ALA A 76 4.389 -12.620 0.999 1.00 0.00 O ATOM 1169 CB ALA A 76 2.747 -14.629 2.907 1.00 0.00 C ATOM 0 H ALA A 76 2.045 -12.263 1.519 1.00 0.00 H new ATOM 0 HA ALA A 76 3.425 -12.946 4.036 1.00 0.00 H new ATOM 0 HB1 ALA A 76 3.544 -15.285 3.258 1.00 0.00 H new ATOM 0 HB2 ALA A 76 1.862 -14.768 3.528 1.00 0.00 H new ATOM 0 HB3 ALA A 76 2.506 -14.873 1.872 1.00 0.00 H new ATOM 1175 N VAL A 77 5.610 -13.195 2.787 1.00 0.00 N ATOM 1176 CA VAL A 77 6.858 -13.208 2.051 1.00 0.00 C ATOM 1177 C VAL A 77 6.986 -14.554 1.358 1.00 0.00 C ATOM 1178 O VAL A 77 7.027 -15.587 2.019 1.00 0.00 O ATOM 1179 CB VAL A 77 8.082 -12.963 2.967 1.00 0.00 C ATOM 1180 CG1 VAL A 77 9.378 -12.979 2.165 1.00 0.00 C ATOM 1181 CG2 VAL A 77 7.940 -11.643 3.709 1.00 0.00 C ATOM 0 H VAL A 77 5.704 -13.359 3.789 1.00 0.00 H new ATOM 0 HA VAL A 77 6.843 -12.396 1.324 1.00 0.00 H new ATOM 0 HB VAL A 77 8.121 -13.772 3.696 1.00 0.00 H new ATOM 0 HG11 VAL A 77 10.221 -12.804 2.833 1.00 0.00 H new ATOM 0 HG12 VAL A 77 9.494 -13.948 1.680 1.00 0.00 H new ATOM 0 HG13 VAL A 77 9.347 -12.196 1.408 1.00 0.00 H new ATOM 0 HG21 VAL A 77 8.810 -11.489 4.347 1.00 0.00 H new ATOM 0 HG22 VAL A 77 7.869 -10.827 2.990 1.00 0.00 H new ATOM 0 HG23 VAL A 77 7.039 -11.666 4.322 1.00 0.00 H new ATOM 1191 N LEU A 78 6.985 -14.529 0.033 1.00 0.00 N ATOM 1192 CA LEU A 78 7.069 -15.737 -0.777 1.00 0.00 C ATOM 1193 C LEU A 78 7.589 -15.371 -2.161 1.00 0.00 C ATOM 1194 O LEU A 78 7.247 -14.309 -2.682 1.00 0.00 O ATOM 1195 CB LEU A 78 5.693 -16.413 -0.907 1.00 0.00 C ATOM 1196 CG LEU A 78 5.329 -17.409 0.202 1.00 0.00 C ATOM 1197 CD1 LEU A 78 3.889 -17.869 0.055 1.00 0.00 C ATOM 1198 CD2 LEU A 78 6.273 -18.601 0.191 1.00 0.00 C ATOM 0 H LEU A 78 6.926 -13.669 -0.512 1.00 0.00 H new ATOM 0 HA LEU A 78 7.748 -16.438 -0.291 1.00 0.00 H new ATOM 0 HB2 LEU A 78 4.929 -15.636 -0.936 1.00 0.00 H new ATOM 0 HB3 LEU A 78 5.654 -16.934 -1.864 1.00 0.00 H new ATOM 0 HG LEU A 78 5.433 -16.901 1.161 1.00 0.00 H new ATOM 0 HD11 LEU A 78 3.650 -18.575 0.850 1.00 0.00 H new ATOM 0 HD12 LEU A 78 3.224 -17.008 0.121 1.00 0.00 H new ATOM 0 HD13 LEU A 78 3.759 -18.355 -0.912 1.00 0.00 H new ATOM 0 HD21 LEU A 78 5.995 -19.293 0.986 1.00 0.00 H new ATOM 0 HD22 LEU A 78 6.207 -19.109 -0.771 1.00 0.00 H new ATOM 0 HD23 LEU A 78 7.295 -18.257 0.350 1.00 0.00 H new ATOM 1210 N PRO A 79 8.426 -16.228 -2.772 1.00 0.00 N ATOM 1211 CA PRO A 79 8.974 -15.977 -4.111 1.00 0.00 C ATOM 1212 C PRO A 79 7.907 -16.022 -5.208 1.00 0.00 C ATOM 1213 O PRO A 79 6.794 -16.514 -5.000 1.00 0.00 O ATOM 1214 CB PRO A 79 9.986 -17.110 -4.306 1.00 0.00 C ATOM 1215 CG PRO A 79 9.531 -18.191 -3.389 1.00 0.00 C ATOM 1216 CD PRO A 79 8.920 -17.497 -2.206 1.00 0.00 C ATOM 0 HA PRO A 79 9.408 -14.980 -4.183 1.00 0.00 H new ATOM 0 HB2 PRO A 79 10.003 -17.451 -5.341 1.00 0.00 H new ATOM 0 HB3 PRO A 79 10.997 -16.784 -4.061 1.00 0.00 H new ATOM 0 HG2 PRO A 79 8.805 -18.839 -3.879 1.00 0.00 H new ATOM 0 HG3 PRO A 79 10.366 -18.821 -3.084 1.00 0.00 H new ATOM 0 HD2 PRO A 79 8.112 -18.084 -1.769 1.00 0.00 H new ATOM 0 HD3 PRO A 79 9.653 -17.327 -1.417 1.00 0.00 H new ATOM 1224 N GLU A 80 8.275 -15.531 -6.388 1.00 0.00 N ATOM 1225 CA GLU A 80 7.363 -15.466 -7.533 1.00 0.00 C ATOM 1226 C GLU A 80 7.027 -16.864 -8.056 1.00 0.00 C ATOM 1227 O GLU A 80 5.998 -17.063 -8.697 1.00 0.00 O ATOM 1228 CB GLU A 80 7.966 -14.620 -8.669 1.00 0.00 C ATOM 1229 CG GLU A 80 9.486 -14.489 -8.624 1.00 0.00 C ATOM 1230 CD GLU A 80 10.204 -15.770 -9.013 1.00 0.00 C ATOM 1231 OE1 GLU A 80 10.439 -15.985 -10.215 1.00 0.00 O ATOM 1232 OE2 GLU A 80 10.521 -16.574 -8.113 1.00 0.00 O ATOM 0 H GLU A 80 9.209 -15.168 -6.580 1.00 0.00 H new ATOM 0 HA GLU A 80 6.444 -14.993 -7.188 1.00 0.00 H new ATOM 0 HB2 GLU A 80 7.680 -15.061 -9.624 1.00 0.00 H new ATOM 0 HB3 GLU A 80 7.527 -13.623 -8.634 1.00 0.00 H new ATOM 0 HG2 GLU A 80 9.796 -13.687 -9.294 1.00 0.00 H new ATOM 0 HG3 GLU A 80 9.791 -14.199 -7.618 1.00 0.00 H new ATOM 1239 N HIS A 81 7.909 -17.821 -7.784 1.00 0.00 N ATOM 1240 CA HIS A 81 7.682 -19.215 -8.152 1.00 0.00 C ATOM 1241 C HIS A 81 6.474 -19.776 -7.403 1.00 0.00 C ATOM 1242 O HIS A 81 5.680 -20.532 -7.960 1.00 0.00 O ATOM 1243 CB HIS A 81 8.929 -20.049 -7.845 1.00 0.00 C ATOM 1244 CG HIS A 81 9.880 -20.165 -8.998 1.00 0.00 C ATOM 1245 ND1 HIS A 81 10.550 -19.087 -9.541 1.00 0.00 N ATOM 1246 CD2 HIS A 81 10.285 -21.245 -9.703 1.00 0.00 C ATOM 1247 CE1 HIS A 81 11.318 -19.503 -10.531 1.00 0.00 C ATOM 1248 NE2 HIS A 81 11.178 -20.809 -10.649 1.00 0.00 N ATOM 0 H HIS A 81 8.795 -17.654 -7.306 1.00 0.00 H new ATOM 0 HA HIS A 81 7.479 -19.264 -9.222 1.00 0.00 H new ATOM 0 HB2 HIS A 81 9.452 -19.605 -6.998 1.00 0.00 H new ATOM 0 HB3 HIS A 81 8.620 -21.049 -7.540 1.00 0.00 H new ATOM 0 HD1 HIS A 81 10.465 -18.120 -9.227 1.00 0.00 H new ATOM 0 HD2 HIS A 81 9.964 -22.265 -9.550 1.00 0.00 H new ATOM 0 HE1 HIS A 81 11.954 -18.879 -11.141 1.00 0.00 H new ATOM 1257 N GLN A 82 6.341 -19.388 -6.138 1.00 0.00 N ATOM 1258 CA GLN A 82 5.201 -19.783 -5.322 1.00 0.00 C ATOM 1259 C GLN A 82 3.940 -19.036 -5.755 1.00 0.00 C ATOM 1260 O GLN A 82 2.835 -19.573 -5.676 1.00 0.00 O ATOM 1261 CB GLN A 82 5.491 -19.518 -3.847 1.00 0.00 C ATOM 1262 CG GLN A 82 6.354 -20.587 -3.202 1.00 0.00 C ATOM 1263 CD GLN A 82 5.541 -21.597 -2.419 1.00 0.00 C ATOM 1264 OE1 GLN A 82 4.428 -21.955 -2.805 1.00 0.00 O ATOM 1265 NE2 GLN A 82 6.098 -22.069 -1.319 1.00 0.00 N ATOM 0 H GLN A 82 7.016 -18.795 -5.654 1.00 0.00 H new ATOM 0 HA GLN A 82 5.032 -20.851 -5.462 1.00 0.00 H new ATOM 0 HB2 GLN A 82 5.988 -18.553 -3.750 1.00 0.00 H new ATOM 0 HB3 GLN A 82 4.548 -19.447 -3.306 1.00 0.00 H new ATOM 0 HG2 GLN A 82 6.923 -21.104 -3.974 1.00 0.00 H new ATOM 0 HG3 GLN A 82 7.076 -20.113 -2.537 1.00 0.00 H new ATOM 0 HE21 GLN A 82 7.023 -21.745 -1.036 1.00 0.00 H new ATOM 0 HE22 GLN A 82 5.604 -22.758 -0.752 1.00 0.00 H new ATOM 1274 N ALA A 83 4.127 -17.805 -6.242 1.00 0.00 N ATOM 1275 CA ALA A 83 3.020 -16.946 -6.682 1.00 0.00 C ATOM 1276 C ALA A 83 2.254 -17.551 -7.857 1.00 0.00 C ATOM 1277 O ALA A 83 1.098 -17.201 -8.090 1.00 0.00 O ATOM 1278 CB ALA A 83 3.526 -15.560 -7.045 1.00 0.00 C ATOM 0 H ALA A 83 5.047 -17.376 -6.343 1.00 0.00 H new ATOM 0 HA ALA A 83 2.328 -16.865 -5.844 1.00 0.00 H new ATOM 0 HB1 ALA A 83 2.690 -14.940 -7.368 1.00 0.00 H new ATOM 0 HB2 ALA A 83 3.999 -15.106 -6.174 1.00 0.00 H new ATOM 0 HB3 ALA A 83 4.253 -15.638 -7.853 1.00 0.00 H new ATOM 1284 N TYR A 84 2.917 -18.441 -8.600 1.00 0.00 N ATOM 1285 CA TYR A 84 2.284 -19.211 -9.673 1.00 0.00 C ATOM 1286 C TYR A 84 1.027 -19.917 -9.157 1.00 0.00 C ATOM 1287 O TYR A 84 -0.029 -19.888 -9.793 1.00 0.00 O ATOM 1288 CB TYR A 84 3.290 -20.240 -10.220 1.00 0.00 C ATOM 1289 CG TYR A 84 2.702 -21.304 -11.131 1.00 0.00 C ATOM 1290 CD1 TYR A 84 2.561 -21.077 -12.494 1.00 0.00 C ATOM 1291 CD2 TYR A 84 2.301 -22.540 -10.628 1.00 0.00 C ATOM 1292 CE1 TYR A 84 2.038 -22.046 -13.328 1.00 0.00 C ATOM 1293 CE2 TYR A 84 1.777 -23.510 -11.456 1.00 0.00 C ATOM 1294 CZ TYR A 84 1.649 -23.259 -12.805 1.00 0.00 C ATOM 1295 OH TYR A 84 1.129 -24.225 -13.633 1.00 0.00 O ATOM 0 H TYR A 84 3.908 -18.648 -8.474 1.00 0.00 H new ATOM 0 HA TYR A 84 1.987 -18.534 -10.474 1.00 0.00 H new ATOM 0 HB2 TYR A 84 4.068 -19.707 -10.767 1.00 0.00 H new ATOM 0 HB3 TYR A 84 3.774 -20.734 -9.377 1.00 0.00 H new ATOM 0 HD1 TYR A 84 2.865 -20.127 -12.909 1.00 0.00 H new ATOM 0 HD2 TYR A 84 2.402 -22.742 -9.572 1.00 0.00 H new ATOM 0 HE1 TYR A 84 1.935 -21.853 -14.386 1.00 0.00 H new ATOM 0 HE2 TYR A 84 1.468 -24.462 -11.049 1.00 0.00 H new ATOM 0 HH TYR A 84 0.906 -25.021 -13.107 1.00 0.00 H new ATOM 1305 N ILE A 85 1.155 -20.539 -7.994 1.00 0.00 N ATOM 1306 CA ILE A 85 0.049 -21.258 -7.384 1.00 0.00 C ATOM 1307 C ILE A 85 -0.842 -20.318 -6.587 1.00 0.00 C ATOM 1308 O ILE A 85 -2.054 -20.513 -6.518 1.00 0.00 O ATOM 1309 CB ILE A 85 0.528 -22.398 -6.462 1.00 0.00 C ATOM 1310 CG1 ILE A 85 1.935 -22.872 -6.844 1.00 0.00 C ATOM 1311 CG2 ILE A 85 -0.456 -23.549 -6.528 1.00 0.00 C ATOM 1312 CD1 ILE A 85 2.806 -23.200 -5.651 1.00 0.00 C ATOM 0 H ILE A 85 2.019 -20.559 -7.452 1.00 0.00 H new ATOM 0 HA ILE A 85 -0.519 -21.695 -8.205 1.00 0.00 H new ATOM 0 HB ILE A 85 0.576 -22.020 -5.441 1.00 0.00 H new ATOM 0 HG12 ILE A 85 1.853 -23.755 -7.478 1.00 0.00 H new ATOM 0 HG13 ILE A 85 2.422 -22.098 -7.438 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -0.118 -24.355 -5.877 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -1.438 -23.207 -6.202 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -0.521 -23.914 -7.553 1.00 0.00 H new ATOM 0 HD11 ILE A 85 3.787 -23.528 -5.996 1.00 0.00 H new ATOM 0 HD12 ILE A 85 2.919 -22.313 -5.028 1.00 0.00 H new ATOM 0 HD13 ILE A 85 2.341 -23.995 -5.069 1.00 0.00 H new ATOM 1324 N VAL A 86 -0.233 -19.291 -6.002 1.00 0.00 N ATOM 1325 CA VAL A 86 -0.957 -18.313 -5.193 1.00 0.00 C ATOM 1326 C VAL A 86 -1.989 -17.550 -6.037 1.00 0.00 C ATOM 1327 O VAL A 86 -3.048 -17.174 -5.541 1.00 0.00 O ATOM 1328 CB VAL A 86 0.027 -17.325 -4.508 1.00 0.00 C ATOM 1329 CG1 VAL A 86 -0.710 -16.212 -3.782 1.00 0.00 C ATOM 1330 CG2 VAL A 86 0.938 -18.066 -3.538 1.00 0.00 C ATOM 0 H VAL A 86 0.769 -19.113 -6.074 1.00 0.00 H new ATOM 0 HA VAL A 86 -1.494 -18.857 -4.416 1.00 0.00 H new ATOM 0 HB VAL A 86 0.633 -16.871 -5.292 1.00 0.00 H new ATOM 0 HG11 VAL A 86 0.012 -15.541 -3.316 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -1.317 -15.653 -4.494 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -1.354 -16.642 -3.015 1.00 0.00 H new ATOM 0 HG21 VAL A 86 1.621 -17.358 -3.067 1.00 0.00 H new ATOM 0 HG22 VAL A 86 0.335 -18.553 -2.772 1.00 0.00 H new ATOM 0 HG23 VAL A 86 1.512 -18.818 -4.080 1.00 0.00 H new ATOM 1340 N ARG A 87 -1.682 -17.357 -7.317 1.00 0.00 N ATOM 1341 CA ARG A 87 -2.609 -16.721 -8.254 1.00 0.00 C ATOM 1342 C ARG A 87 -3.907 -17.522 -8.375 1.00 0.00 C ATOM 1343 O ARG A 87 -4.998 -16.951 -8.426 1.00 0.00 O ATOM 1344 CB ARG A 87 -1.953 -16.589 -9.628 1.00 0.00 C ATOM 1345 CG ARG A 87 -2.107 -15.211 -10.251 1.00 0.00 C ATOM 1346 CD ARG A 87 -2.782 -15.281 -11.614 1.00 0.00 C ATOM 1347 NE ARG A 87 -2.200 -16.316 -12.475 1.00 0.00 N ATOM 1348 CZ ARG A 87 -1.371 -16.072 -13.493 1.00 0.00 C ATOM 1349 NH1 ARG A 87 -0.985 -14.835 -13.774 1.00 0.00 N ATOM 1350 NH2 ARG A 87 -0.909 -17.076 -14.226 1.00 0.00 N ATOM 0 H ARG A 87 -0.793 -17.633 -7.733 1.00 0.00 H new ATOM 0 HA ARG A 87 -2.853 -15.730 -7.870 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -0.892 -16.820 -9.537 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -2.385 -17.331 -10.299 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -2.693 -14.575 -9.587 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -1.126 -14.747 -10.354 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -3.845 -15.480 -11.480 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -2.699 -14.313 -12.108 1.00 0.00 H new ATOM 0 HE ARG A 87 -2.445 -17.287 -12.283 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -1.322 -14.055 -13.209 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -0.351 -14.663 -14.555 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -1.187 -18.034 -14.012 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -0.276 -16.890 -15.004 1.00 0.00 H new ATOM 1364 N LYS A 88 -3.782 -18.846 -8.393 1.00 0.00 N ATOM 1365 CA LYS A 88 -4.938 -19.730 -8.501 1.00 0.00 C ATOM 1366 C LYS A 88 -5.684 -19.814 -7.172 1.00 0.00 C ATOM 1367 O LYS A 88 -6.897 -20.018 -7.142 1.00 0.00 O ATOM 1368 CB LYS A 88 -4.502 -21.127 -8.942 1.00 0.00 C ATOM 1369 CG LYS A 88 -4.317 -21.257 -10.442 1.00 0.00 C ATOM 1370 CD LYS A 88 -5.540 -21.873 -11.103 1.00 0.00 C ATOM 1371 CE LYS A 88 -5.159 -23.030 -12.015 1.00 0.00 C ATOM 1372 NZ LYS A 88 -4.203 -22.615 -13.078 1.00 0.00 N ATOM 0 H LYS A 88 -2.887 -19.332 -8.334 1.00 0.00 H new ATOM 0 HA LYS A 88 -5.611 -19.315 -9.251 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -3.566 -21.381 -8.445 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -5.245 -21.852 -8.611 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -4.126 -20.274 -10.873 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -3.441 -21.872 -10.650 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -6.230 -22.225 -10.336 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -6.065 -21.112 -11.680 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -4.715 -23.828 -11.420 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -6.058 -23.438 -12.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -4.216 -23.313 -13.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -4.480 -21.684 -13.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -3.244 -22.558 -12.679 1.00 0.00 H new ATOM 1386 N TRP A 89 -4.946 -19.649 -6.078 1.00 0.00 N ATOM 1387 CA TRP A 89 -5.528 -19.645 -4.741 1.00 0.00 C ATOM 1388 C TRP A 89 -6.316 -18.360 -4.508 1.00 0.00 C ATOM 1389 O TRP A 89 -7.336 -18.363 -3.819 1.00 0.00 O ATOM 1390 CB TRP A 89 -4.430 -19.785 -3.685 1.00 0.00 C ATOM 1391 CG TRP A 89 -4.112 -21.208 -3.339 1.00 0.00 C ATOM 1392 CD1 TRP A 89 -3.420 -22.103 -4.103 1.00 0.00 C ATOM 1393 CD2 TRP A 89 -4.475 -21.899 -2.140 1.00 0.00 C ATOM 1394 NE1 TRP A 89 -3.329 -23.309 -3.451 1.00 0.00 N ATOM 1395 CE2 TRP A 89 -3.968 -23.209 -2.244 1.00 0.00 C ATOM 1396 CE3 TRP A 89 -5.178 -21.539 -0.986 1.00 0.00 C ATOM 1397 CZ2 TRP A 89 -4.143 -24.158 -1.240 1.00 0.00 C ATOM 1398 CZ3 TRP A 89 -5.349 -22.482 0.009 1.00 0.00 C ATOM 1399 CH2 TRP A 89 -4.833 -23.777 -0.123 1.00 0.00 C ATOM 0 H TRP A 89 -3.935 -19.515 -6.093 1.00 0.00 H new ATOM 0 HA TRP A 89 -6.208 -20.493 -4.657 1.00 0.00 H new ATOM 0 HB2 TRP A 89 -3.525 -19.296 -4.046 1.00 0.00 H new ATOM 0 HB3 TRP A 89 -4.737 -19.259 -2.781 1.00 0.00 H new ATOM 0 HD1 TRP A 89 -3.005 -21.894 -5.078 1.00 0.00 H new ATOM 0 HE1 TRP A 89 -2.862 -24.143 -3.808 1.00 0.00 H new ATOM 0 HE3 TRP A 89 -5.580 -20.543 -0.875 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 -3.748 -25.158 -1.340 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 -5.890 -22.216 0.905 1.00 0.00 H new ATOM 0 HH2 TRP A 89 -4.983 -24.490 0.674 1.00 0.00 H new ATOM 1410 N GLU A 90 -5.833 -17.270 -5.099 1.00 0.00 N ATOM 1411 CA GLU A 90 -6.508 -15.979 -5.029 1.00 0.00 C ATOM 1412 C GLU A 90 -7.856 -16.045 -5.739 1.00 0.00 C ATOM 1413 O GLU A 90 -8.867 -15.549 -5.237 1.00 0.00 O ATOM 1414 CB GLU A 90 -5.639 -14.891 -5.665 1.00 0.00 C ATOM 1415 CG GLU A 90 -6.272 -13.508 -5.640 1.00 0.00 C ATOM 1416 CD GLU A 90 -5.693 -12.581 -6.685 1.00 0.00 C ATOM 1417 OE1 GLU A 90 -5.978 -12.778 -7.883 1.00 0.00 O ATOM 1418 OE2 GLU A 90 -4.960 -11.645 -6.312 1.00 0.00 O ATOM 0 H GLU A 90 -4.967 -17.257 -5.637 1.00 0.00 H new ATOM 0 HA GLU A 90 -6.673 -15.733 -3.980 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -4.682 -14.852 -5.144 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -5.428 -15.165 -6.699 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -7.346 -13.602 -5.799 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -6.133 -13.067 -4.653 1.00 0.00 H new ATOM 1425 N ALA A 91 -7.859 -16.679 -6.909 1.00 0.00 N ATOM 1426 CA ALA A 91 -9.075 -16.859 -7.689 1.00 0.00 C ATOM 1427 C ALA A 91 -10.045 -17.801 -6.979 1.00 0.00 C ATOM 1428 O ALA A 91 -11.260 -17.686 -7.133 1.00 0.00 O ATOM 1429 CB ALA A 91 -8.738 -17.388 -9.075 1.00 0.00 C ATOM 0 H ALA A 91 -7.024 -17.079 -7.338 1.00 0.00 H new ATOM 0 HA ALA A 91 -9.561 -15.889 -7.792 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -9.656 -17.518 -9.648 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -8.088 -16.678 -9.587 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -8.228 -18.347 -8.984 1.00 0.00 H new ATOM 1435 N ASP A 92 -9.495 -18.715 -6.183 1.00 0.00 N ATOM 1436 CA ASP A 92 -10.293 -19.684 -5.440 1.00 0.00 C ATOM 1437 C ASP A 92 -11.020 -19.024 -4.276 1.00 0.00 C ATOM 1438 O ASP A 92 -12.189 -19.308 -4.036 1.00 0.00 O ATOM 1439 CB ASP A 92 -9.416 -20.820 -4.918 1.00 0.00 C ATOM 1440 CG ASP A 92 -10.064 -22.178 -5.090 1.00 0.00 C ATOM 1441 OD1 ASP A 92 -11.225 -22.354 -4.667 1.00 0.00 O ATOM 1442 OD2 ASP A 92 -9.412 -23.082 -5.651 1.00 0.00 O ATOM 0 H ASP A 92 -8.490 -18.804 -6.036 1.00 0.00 H new ATOM 0 HA ASP A 92 -11.034 -20.091 -6.127 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -8.461 -20.808 -5.443 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -9.202 -20.654 -3.862 1.00 0.00 H new ATOM 1447 N ALA A 93 -10.329 -18.134 -3.562 1.00 0.00 N ATOM 1448 CA ALA A 93 -10.934 -17.414 -2.442 1.00 0.00 C ATOM 1449 C ALA A 93 -11.998 -16.441 -2.936 1.00 0.00 C ATOM 1450 O ALA A 93 -13.007 -16.214 -2.269 1.00 0.00 O ATOM 1451 CB ALA A 93 -9.877 -16.677 -1.642 1.00 0.00 C ATOM 0 H ALA A 93 -9.353 -17.895 -3.739 1.00 0.00 H new ATOM 0 HA ALA A 93 -11.412 -18.146 -1.791 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -10.350 -16.149 -0.814 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -9.153 -17.392 -1.250 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -9.367 -15.960 -2.286 1.00 0.00 H new ATOM 1457 N LYS A 94 -11.771 -15.877 -4.118 1.00 0.00 N ATOM 1458 CA LYS A 94 -12.755 -15.014 -4.757 1.00 0.00 C ATOM 1459 C LYS A 94 -13.982 -15.822 -5.180 1.00 0.00 C ATOM 1460 O LYS A 94 -15.103 -15.323 -5.163 1.00 0.00 O ATOM 1461 CB LYS A 94 -12.137 -14.320 -5.971 1.00 0.00 C ATOM 1462 CG LYS A 94 -12.449 -12.836 -6.045 1.00 0.00 C ATOM 1463 CD LYS A 94 -12.795 -12.409 -7.463 1.00 0.00 C ATOM 1464 CE LYS A 94 -14.234 -12.752 -7.815 1.00 0.00 C ATOM 1465 NZ LYS A 94 -15.148 -11.603 -7.590 1.00 0.00 N ATOM 0 H LYS A 94 -10.912 -16.003 -4.653 1.00 0.00 H new ATOM 0 HA LYS A 94 -13.070 -14.256 -4.039 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -11.056 -14.455 -5.945 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -12.497 -14.804 -6.879 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -13.282 -12.605 -5.381 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -11.591 -12.265 -5.691 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -12.640 -11.335 -7.568 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -12.121 -12.899 -8.166 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -14.289 -13.060 -8.859 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -14.562 -13.600 -7.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -16.119 -11.877 -7.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -15.115 -11.324 -6.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -14.850 -10.801 -8.182 1.00 0.00 H new ATOM 1479 N LYS A 95 -13.751 -17.081 -5.535 1.00 0.00 N ATOM 1480 CA LYS A 95 -14.812 -17.996 -5.946 1.00 0.00 C ATOM 1481 C LYS A 95 -15.488 -18.634 -4.723 1.00 0.00 C ATOM 1482 O LYS A 95 -16.533 -19.274 -4.833 1.00 0.00 O ATOM 1483 CB LYS A 95 -14.218 -19.075 -6.863 1.00 0.00 C ATOM 1484 CG LYS A 95 -15.242 -19.974 -7.541 1.00 0.00 C ATOM 1485 CD LYS A 95 -14.654 -21.339 -7.865 1.00 0.00 C ATOM 1486 CE LYS A 95 -14.204 -22.068 -6.608 1.00 0.00 C ATOM 1487 NZ LYS A 95 -12.952 -22.841 -6.826 1.00 0.00 N ATOM 0 H LYS A 95 -12.820 -17.498 -5.546 1.00 0.00 H new ATOM 0 HA LYS A 95 -15.575 -17.439 -6.490 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -13.618 -18.588 -7.632 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -13.541 -19.697 -6.277 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -16.109 -20.095 -6.892 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -15.594 -19.501 -8.458 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -15.397 -21.941 -8.389 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -13.807 -21.220 -8.540 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -14.048 -21.346 -5.807 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -14.994 -22.743 -6.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -12.391 -22.847 -5.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -13.189 -23.818 -7.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -12.399 -22.399 -7.588 1.00 0.00 H new ATOM 1680 N ARG B 4 23.397 6.687 -2.148 1.00 0.00 N ATOM 1681 CA ARG B 4 22.796 7.978 -2.430 1.00 0.00 C ATOM 1682 C ARG B 4 23.127 8.391 -3.855 1.00 0.00 C ATOM 1683 O ARG B 4 24.028 7.827 -4.478 1.00 0.00 O ATOM 1684 CB ARG B 4 23.242 9.076 -1.446 1.00 0.00 C ATOM 1685 CG ARG B 4 24.206 8.635 -0.357 1.00 0.00 C ATOM 1686 CD ARG B 4 25.595 9.209 -0.584 1.00 0.00 C ATOM 1687 NE ARG B 4 25.573 10.657 -0.816 1.00 0.00 N ATOM 1688 CZ ARG B 4 25.979 11.242 -1.946 1.00 0.00 C ATOM 1689 NH1 ARG B 4 26.413 10.507 -2.962 1.00 0.00 N ATOM 1690 NH2 ARG B 4 25.944 12.564 -2.060 1.00 0.00 N ATOM 0 HA ARG B 4 21.719 7.867 -2.308 1.00 0.00 H new ATOM 0 HB2 ARG B 4 23.709 9.880 -2.015 1.00 0.00 H new ATOM 0 HB3 ARG B 4 22.355 9.495 -0.972 1.00 0.00 H new ATOM 0 HG2 ARG B 4 23.832 8.956 0.615 1.00 0.00 H new ATOM 0 HG3 ARG B 4 24.259 7.547 -0.334 1.00 0.00 H new ATOM 0 HD2 ARG B 4 26.220 8.993 0.282 1.00 0.00 H new ATOM 0 HD3 ARG B 4 26.054 8.714 -1.440 1.00 0.00 H new ATOM 0 HE ARG B 4 25.226 11.255 -0.067 1.00 0.00 H new ATOM 0 HH11 ARG B 4 26.438 9.490 -2.882 1.00 0.00 H new ATOM 0 HH12 ARG B 4 26.722 10.959 -3.823 1.00 0.00 H new ATOM 0 HH21 ARG B 4 25.607 13.134 -1.284 1.00 0.00 H new ATOM 0 HH22 ARG B 4 26.254 13.010 -2.923 1.00 0.00 H new ATOM 1704 N LEU B 5 22.403 9.368 -4.366 1.00 0.00 N ATOM 1705 CA LEU B 5 22.553 9.783 -5.751 1.00 0.00 C ATOM 1706 C LEU B 5 22.190 11.256 -5.926 1.00 0.00 C ATOM 1707 O LEU B 5 21.769 11.912 -4.974 1.00 0.00 O ATOM 1708 CB LEU B 5 21.731 8.853 -6.675 1.00 0.00 C ATOM 1709 CG LEU B 5 20.238 9.172 -6.912 1.00 0.00 C ATOM 1710 CD1 LEU B 5 19.611 8.034 -7.689 1.00 0.00 C ATOM 1711 CD2 LEU B 5 19.457 9.376 -5.619 1.00 0.00 C ATOM 0 H LEU B 5 21.702 9.892 -3.842 1.00 0.00 H new ATOM 0 HA LEU B 5 23.600 9.689 -6.040 1.00 0.00 H new ATOM 0 HB2 LEU B 5 22.223 8.834 -7.647 1.00 0.00 H new ATOM 0 HB3 LEU B 5 21.793 7.844 -6.267 1.00 0.00 H new ATOM 0 HG LEU B 5 20.193 10.109 -7.467 1.00 0.00 H new ATOM 0 HD11 LEU B 5 18.556 8.249 -7.862 1.00 0.00 H new ATOM 0 HD12 LEU B 5 20.120 7.923 -8.646 1.00 0.00 H new ATOM 0 HD13 LEU B 5 19.704 7.110 -7.119 1.00 0.00 H new ATOM 0 HD21 LEU B 5 18.416 9.597 -5.854 1.00 0.00 H new ATOM 0 HD22 LEU B 5 19.509 8.470 -5.016 1.00 0.00 H new ATOM 0 HD23 LEU B 5 19.887 10.208 -5.061 1.00 0.00 H new ATOM 1723 N THR B 6 22.365 11.771 -7.136 1.00 0.00 N ATOM 1724 CA THR B 6 22.180 13.191 -7.404 1.00 0.00 C ATOM 1725 C THR B 6 20.703 13.526 -7.620 1.00 0.00 C ATOM 1726 O THR B 6 19.905 12.638 -7.928 1.00 0.00 O ATOM 1727 CB THR B 6 23.004 13.609 -8.638 1.00 0.00 C ATOM 1728 OG1 THR B 6 23.690 12.463 -9.169 1.00 0.00 O ATOM 1729 CG2 THR B 6 24.020 14.679 -8.271 1.00 0.00 C ATOM 0 H THR B 6 22.637 11.222 -7.952 1.00 0.00 H new ATOM 0 HA THR B 6 22.529 13.747 -6.534 1.00 0.00 H new ATOM 0 HB THR B 6 22.324 14.015 -9.387 1.00 0.00 H new ATOM 0 HG1 THR B 6 23.132 12.036 -9.852 1.00 0.00 H new ATOM 0 HG21 THR B 6 24.590 14.959 -9.157 1.00 0.00 H new ATOM 0 HG22 THR B 6 23.501 15.555 -7.882 1.00 0.00 H new ATOM 0 HG23 THR B 6 24.698 14.291 -7.511 1.00 0.00 H new ATOM 1737 N GLU B 7 20.350 14.809 -7.468 1.00 0.00 N ATOM 1738 CA GLU B 7 18.959 15.259 -7.591 1.00 0.00 C ATOM 1739 C GLU B 7 18.425 15.061 -9.015 1.00 0.00 C ATOM 1740 O GLU B 7 17.219 14.932 -9.217 1.00 0.00 O ATOM 1741 CB GLU B 7 18.826 16.731 -7.174 1.00 0.00 C ATOM 1742 CG GLU B 7 17.385 17.225 -7.134 1.00 0.00 C ATOM 1743 CD GLU B 7 17.041 17.978 -5.866 1.00 0.00 C ATOM 1744 OE1 GLU B 7 17.439 17.536 -4.773 1.00 0.00 O ATOM 1745 OE2 GLU B 7 16.356 19.018 -5.960 1.00 0.00 O ATOM 0 H GLU B 7 21.012 15.556 -7.259 1.00 0.00 H new ATOM 0 HA GLU B 7 18.357 14.646 -6.919 1.00 0.00 H new ATOM 0 HB2 GLU B 7 19.274 16.863 -6.189 1.00 0.00 H new ATOM 0 HB3 GLU B 7 19.394 17.350 -7.868 1.00 0.00 H new ATOM 0 HG2 GLU B 7 17.207 17.873 -7.992 1.00 0.00 H new ATOM 0 HG3 GLU B 7 16.714 16.372 -7.234 1.00 0.00 H new ATOM 1752 N SER B 8 19.327 15.020 -9.991 1.00 0.00 N ATOM 1753 CA SER B 8 18.956 14.751 -11.375 1.00 0.00 C ATOM 1754 C SER B 8 18.299 13.372 -11.496 1.00 0.00 C ATOM 1755 O SER B 8 17.244 13.218 -12.116 1.00 0.00 O ATOM 1756 CB SER B 8 20.204 14.824 -12.256 1.00 0.00 C ATOM 1757 OG SER B 8 21.380 14.607 -11.486 1.00 0.00 O ATOM 0 H SER B 8 20.325 15.171 -9.847 1.00 0.00 H new ATOM 0 HA SER B 8 18.236 15.500 -11.705 1.00 0.00 H new ATOM 0 HB2 SER B 8 20.140 14.078 -13.048 1.00 0.00 H new ATOM 0 HB3 SER B 8 20.256 15.799 -12.740 1.00 0.00 H new ATOM 0 HG SER B 8 21.722 15.466 -11.162 1.00 0.00 H new ATOM 1763 N GLN B 9 18.927 12.382 -10.868 1.00 0.00 N ATOM 1764 CA GLN B 9 18.424 11.014 -10.868 1.00 0.00 C ATOM 1765 C GLN B 9 17.287 10.856 -9.860 1.00 0.00 C ATOM 1766 O GLN B 9 16.427 9.989 -10.005 1.00 0.00 O ATOM 1767 CB GLN B 9 19.554 10.035 -10.556 1.00 0.00 C ATOM 1768 CG GLN B 9 20.462 9.754 -11.743 1.00 0.00 C ATOM 1769 CD GLN B 9 21.518 10.822 -11.934 1.00 0.00 C ATOM 1770 OE1 GLN B 9 22.488 10.891 -11.182 1.00 0.00 O ATOM 1771 NE2 GLN B 9 21.331 11.670 -12.929 1.00 0.00 N ATOM 0 H GLN B 9 19.795 12.506 -10.347 1.00 0.00 H new ATOM 0 HA GLN B 9 18.033 10.791 -11.861 1.00 0.00 H new ATOM 0 HB2 GLN B 9 20.153 10.434 -9.737 1.00 0.00 H new ATOM 0 HB3 GLN B 9 19.124 9.096 -10.208 1.00 0.00 H new ATOM 0 HG2 GLN B 9 20.948 8.788 -11.603 1.00 0.00 H new ATOM 0 HG3 GLN B 9 19.859 9.679 -12.648 1.00 0.00 H new ATOM 0 HE21 GLN B 9 20.512 11.578 -13.530 1.00 0.00 H new ATOM 0 HE22 GLN B 9 22.005 12.417 -13.096 1.00 0.00 H new ATOM 1780 N PHE B 10 17.299 11.710 -8.839 1.00 0.00 N ATOM 1781 CA PHE B 10 16.239 11.760 -7.835 1.00 0.00 C ATOM 1782 C PHE B 10 14.920 12.204 -8.475 1.00 0.00 C ATOM 1783 O PHE B 10 13.855 11.681 -8.147 1.00 0.00 O ATOM 1784 CB PHE B 10 16.660 12.723 -6.716 1.00 0.00 C ATOM 1785 CG PHE B 10 15.597 13.058 -5.705 1.00 0.00 C ATOM 1786 CD1 PHE B 10 15.208 12.134 -4.748 1.00 0.00 C ATOM 1787 CD2 PHE B 10 15.010 14.315 -5.693 1.00 0.00 C ATOM 1788 CE1 PHE B 10 14.256 12.457 -3.802 1.00 0.00 C ATOM 1789 CE2 PHE B 10 14.054 14.639 -4.752 1.00 0.00 C ATOM 1790 CZ PHE B 10 13.678 13.709 -3.805 1.00 0.00 C ATOM 0 H PHE B 10 18.045 12.388 -8.684 1.00 0.00 H new ATOM 0 HA PHE B 10 16.083 10.768 -7.412 1.00 0.00 H new ATOM 0 HB2 PHE B 10 17.511 12.289 -6.190 1.00 0.00 H new ATOM 0 HB3 PHE B 10 17.006 13.651 -7.172 1.00 0.00 H new ATOM 0 HD1 PHE B 10 15.655 11.151 -4.742 1.00 0.00 H new ATOM 0 HD2 PHE B 10 15.305 15.049 -6.429 1.00 0.00 H new ATOM 0 HE1 PHE B 10 13.964 11.729 -3.060 1.00 0.00 H new ATOM 0 HE2 PHE B 10 13.601 15.619 -4.757 1.00 0.00 H new ATOM 0 HZ PHE B 10 12.931 13.961 -3.066 1.00 0.00 H new ATOM 1800 N GLN B 11 15.015 13.154 -9.408 1.00 0.00 N ATOM 1801 CA GLN B 11 13.862 13.641 -10.158 1.00 0.00 C ATOM 1802 C GLN B 11 13.264 12.532 -11.013 1.00 0.00 C ATOM 1803 O GLN B 11 12.049 12.440 -11.165 1.00 0.00 O ATOM 1804 CB GLN B 11 14.278 14.812 -11.048 1.00 0.00 C ATOM 1805 CG GLN B 11 13.814 16.158 -10.526 1.00 0.00 C ATOM 1806 CD GLN B 11 12.435 16.538 -11.027 1.00 0.00 C ATOM 1807 OE1 GLN B 11 11.424 16.230 -10.396 1.00 0.00 O ATOM 1808 NE2 GLN B 11 12.382 17.214 -12.163 1.00 0.00 N ATOM 0 H GLN B 11 15.894 13.605 -9.662 1.00 0.00 H new ATOM 0 HA GLN B 11 13.106 13.975 -9.447 1.00 0.00 H new ATOM 0 HB2 GLN B 11 15.364 14.821 -11.140 1.00 0.00 H new ATOM 0 HB3 GLN B 11 13.874 14.660 -12.049 1.00 0.00 H new ATOM 0 HG2 GLN B 11 13.807 16.137 -9.436 1.00 0.00 H new ATOM 0 HG3 GLN B 11 14.529 16.925 -10.825 1.00 0.00 H new ATOM 0 HE21 GLN B 11 13.243 17.450 -12.656 1.00 0.00 H new ATOM 0 HE22 GLN B 11 11.480 17.499 -12.545 1.00 0.00 H new ATOM 1817 N GLU B 12 14.136 11.685 -11.547 1.00 0.00 N ATOM 1818 CA GLU B 12 13.722 10.548 -12.366 1.00 0.00 C ATOM 1819 C GLU B 12 12.933 9.536 -11.535 1.00 0.00 C ATOM 1820 O GLU B 12 11.999 8.902 -12.027 1.00 0.00 O ATOM 1821 CB GLU B 12 14.949 9.870 -12.977 1.00 0.00 C ATOM 1822 CG GLU B 12 15.021 9.976 -14.489 1.00 0.00 C ATOM 1823 CD GLU B 12 14.207 8.905 -15.185 1.00 0.00 C ATOM 1824 OE1 GLU B 12 14.440 7.706 -14.927 1.00 0.00 O ATOM 1825 OE2 GLU B 12 13.330 9.255 -15.996 1.00 0.00 O ATOM 0 H GLU B 12 15.146 11.765 -11.426 1.00 0.00 H new ATOM 0 HA GLU B 12 13.077 10.918 -13.163 1.00 0.00 H new ATOM 0 HB2 GLU B 12 15.848 10.313 -12.548 1.00 0.00 H new ATOM 0 HB3 GLU B 12 14.948 8.817 -12.696 1.00 0.00 H new ATOM 0 HG2 GLU B 12 14.664 10.958 -14.799 1.00 0.00 H new ATOM 0 HG3 GLU B 12 16.061 9.901 -14.806 1.00 0.00 H new ATOM 1832 N ALA B 13 13.315 9.404 -10.270 1.00 0.00 N ATOM 1833 CA ALA B 13 12.671 8.469 -9.361 1.00 0.00 C ATOM 1834 C ALA B 13 11.302 8.973 -8.899 1.00 0.00 C ATOM 1835 O ALA B 13 10.307 8.252 -8.981 1.00 0.00 O ATOM 1836 CB ALA B 13 13.571 8.217 -8.164 1.00 0.00 C ATOM 0 H ALA B 13 14.075 9.939 -9.850 1.00 0.00 H new ATOM 0 HA ALA B 13 12.508 7.535 -9.900 1.00 0.00 H new ATOM 0 HB1 ALA B 13 13.086 7.516 -7.485 1.00 0.00 H new ATOM 0 HB2 ALA B 13 14.518 7.797 -8.503 1.00 0.00 H new ATOM 0 HB3 ALA B 13 13.756 9.157 -7.644 1.00 0.00 H new ATOM 1842 N ILE B 14 11.245 10.226 -8.448 1.00 0.00 N ATOM 1843 CA ILE B 14 10.009 10.787 -7.892 1.00 0.00 C ATOM 1844 C ILE B 14 8.985 11.116 -8.980 1.00 0.00 C ATOM 1845 O ILE B 14 7.831 11.413 -8.683 1.00 0.00 O ATOM 1846 CB ILE B 14 10.271 12.048 -7.046 1.00 0.00 C ATOM 1847 CG1 ILE B 14 11.014 13.101 -7.866 1.00 0.00 C ATOM 1848 CG2 ILE B 14 11.051 11.688 -5.790 1.00 0.00 C ATOM 1849 CD1 ILE B 14 10.733 14.522 -7.433 1.00 0.00 C ATOM 0 H ILE B 14 12.035 10.871 -8.456 1.00 0.00 H new ATOM 0 HA ILE B 14 9.599 10.010 -7.246 1.00 0.00 H new ATOM 0 HB ILE B 14 9.312 12.471 -6.745 1.00 0.00 H new ATOM 0 HG12 ILE B 14 12.085 12.914 -7.794 1.00 0.00 H new ATOM 0 HG13 ILE B 14 10.741 12.990 -8.915 1.00 0.00 H new ATOM 0 HG21 ILE B 14 11.229 12.588 -5.202 1.00 0.00 H new ATOM 0 HG22 ILE B 14 10.478 10.975 -5.198 1.00 0.00 H new ATOM 0 HG23 ILE B 14 12.006 11.243 -6.070 1.00 0.00 H new ATOM 0 HD11 ILE B 14 11.296 15.212 -8.062 1.00 0.00 H new ATOM 0 HD12 ILE B 14 9.667 14.728 -7.532 1.00 0.00 H new ATOM 0 HD13 ILE B 14 11.033 14.652 -6.393 1.00 0.00 H new ATOM 1861 N GLN B 15 9.410 11.050 -10.240 1.00 0.00 N ATOM 1862 CA GLN B 15 8.511 11.271 -11.368 1.00 0.00 C ATOM 1863 C GLN B 15 7.680 10.028 -11.661 1.00 0.00 C ATOM 1864 O GLN B 15 6.778 10.041 -12.499 1.00 0.00 O ATOM 1865 CB GLN B 15 9.298 11.676 -12.606 1.00 0.00 C ATOM 1866 CG GLN B 15 8.765 12.944 -13.224 1.00 0.00 C ATOM 1867 CD GLN B 15 9.455 14.182 -12.691 1.00 0.00 C ATOM 1868 OE1 GLN B 15 10.416 14.671 -13.279 1.00 0.00 O ATOM 1869 NE2 GLN B 15 8.967 14.701 -11.574 1.00 0.00 N ATOM 0 H GLN B 15 10.373 10.845 -10.505 1.00 0.00 H new ATOM 0 HA GLN B 15 7.832 12.081 -11.099 1.00 0.00 H new ATOM 0 HB2 GLN B 15 10.346 11.815 -12.340 1.00 0.00 H new ATOM 0 HB3 GLN B 15 9.259 10.871 -13.340 1.00 0.00 H new ATOM 0 HG2 GLN B 15 8.891 12.898 -14.306 1.00 0.00 H new ATOM 0 HG3 GLN B 15 7.695 13.017 -13.031 1.00 0.00 H new ATOM 0 HE21 GLN B 15 8.167 14.265 -11.116 1.00 0.00 H new ATOM 0 HE22 GLN B 15 9.391 15.537 -11.172 1.00 0.00 H new ATOM 1878 N GLY B 16 8.006 8.957 -10.965 1.00 0.00 N ATOM 1879 CA GLY B 16 7.238 7.735 -11.053 1.00 0.00 C ATOM 1880 C GLY B 16 6.420 7.494 -9.800 1.00 0.00 C ATOM 1881 O GLY B 16 5.894 6.399 -9.593 1.00 0.00 O ATOM 0 H GLY B 16 8.802 8.910 -10.329 1.00 0.00 H new ATOM 0 HA2 GLY B 16 6.575 7.784 -11.917 1.00 0.00 H new ATOM 0 HA3 GLY B 16 7.911 6.893 -11.215 1.00 0.00 H new ATOM 1885 N LEU B 17 6.309 8.524 -8.967 1.00 0.00 N ATOM 1886 CA LEU B 17 5.611 8.425 -7.699 1.00 0.00 C ATOM 1887 C LEU B 17 4.616 9.563 -7.524 1.00 0.00 C ATOM 1888 O LEU B 17 4.973 10.733 -7.651 1.00 0.00 O ATOM 1889 CB LEU B 17 6.614 8.460 -6.539 1.00 0.00 C ATOM 1890 CG LEU B 17 6.881 7.123 -5.846 1.00 0.00 C ATOM 1891 CD1 LEU B 17 5.647 6.239 -5.879 1.00 0.00 C ATOM 1892 CD2 LEU B 17 8.049 6.424 -6.505 1.00 0.00 C ATOM 0 H LEU B 17 6.701 9.447 -9.155 1.00 0.00 H new ATOM 0 HA LEU B 17 5.069 7.479 -7.696 1.00 0.00 H new ATOM 0 HB2 LEU B 17 7.561 8.848 -6.915 1.00 0.00 H new ATOM 0 HB3 LEU B 17 6.253 9.168 -5.793 1.00 0.00 H new ATOM 0 HG LEU B 17 7.127 7.318 -4.802 1.00 0.00 H new ATOM 0 HD11 LEU B 17 5.863 5.294 -5.380 1.00 0.00 H new ATOM 0 HD12 LEU B 17 4.826 6.741 -5.367 1.00 0.00 H new ATOM 0 HD13 LEU B 17 5.365 6.046 -6.914 1.00 0.00 H new ATOM 0 HD21 LEU B 17 8.233 5.473 -6.006 1.00 0.00 H new ATOM 0 HD22 LEU B 17 7.820 6.244 -7.555 1.00 0.00 H new ATOM 0 HD23 LEU B 17 8.938 7.051 -6.430 1.00 0.00 H new ATOM 1904 N GLU B 18 3.367 9.217 -7.244 1.00 0.00 N ATOM 1905 CA GLU B 18 2.389 10.203 -6.807 1.00 0.00 C ATOM 1906 C GLU B 18 2.242 10.099 -5.304 1.00 0.00 C ATOM 1907 O GLU B 18 1.353 9.423 -4.786 1.00 0.00 O ATOM 1908 CB GLU B 18 1.028 10.023 -7.503 1.00 0.00 C ATOM 1909 CG GLU B 18 0.876 8.716 -8.268 1.00 0.00 C ATOM 1910 CD GLU B 18 0.804 8.925 -9.766 1.00 0.00 C ATOM 1911 OE1 GLU B 18 -0.060 9.702 -10.224 1.00 0.00 O ATOM 1912 OE2 GLU B 18 1.610 8.312 -10.492 1.00 0.00 O ATOM 0 H GLU B 18 3.008 8.265 -7.311 1.00 0.00 H new ATOM 0 HA GLU B 18 2.745 11.195 -7.084 1.00 0.00 H new ATOM 0 HB2 GLU B 18 0.240 10.083 -6.752 1.00 0.00 H new ATOM 0 HB3 GLU B 18 0.875 10.853 -8.193 1.00 0.00 H new ATOM 0 HG2 GLU B 18 1.717 8.063 -8.036 1.00 0.00 H new ATOM 0 HG3 GLU B 18 -0.026 8.205 -7.932 1.00 0.00 H new ATOM 1919 N VAL B 19 3.146 10.769 -4.612 1.00 0.00 N ATOM 1920 CA VAL B 19 3.209 10.705 -3.170 1.00 0.00 C ATOM 1921 C VAL B 19 3.249 12.087 -2.576 1.00 0.00 C ATOM 1922 O VAL B 19 3.464 13.084 -3.272 1.00 0.00 O ATOM 1923 CB VAL B 19 4.437 9.906 -2.667 1.00 0.00 C ATOM 1924 CG1 VAL B 19 4.196 8.408 -2.771 1.00 0.00 C ATOM 1925 CG2 VAL B 19 5.694 10.298 -3.427 1.00 0.00 C ATOM 0 H VAL B 19 3.853 11.370 -5.036 1.00 0.00 H new ATOM 0 HA VAL B 19 2.307 10.185 -2.846 1.00 0.00 H new ATOM 0 HB VAL B 19 4.583 10.155 -1.616 1.00 0.00 H new ATOM 0 HG11 VAL B 19 5.074 7.872 -2.411 1.00 0.00 H new ATOM 0 HG12 VAL B 19 3.332 8.136 -2.165 1.00 0.00 H new ATOM 0 HG13 VAL B 19 4.009 8.141 -3.811 1.00 0.00 H new ATOM 0 HG21 VAL B 19 6.540 9.721 -3.053 1.00 0.00 H new ATOM 0 HG22 VAL B 19 5.556 10.093 -4.489 1.00 0.00 H new ATOM 0 HG23 VAL B 19 5.888 11.361 -3.285 1.00 0.00 H new ATOM 1935 N GLY B 20 3.019 12.121 -1.284 1.00 0.00 N ATOM 1936 CA GLY B 20 3.077 13.348 -0.535 1.00 0.00 C ATOM 1937 C GLY B 20 4.471 13.925 -0.496 1.00 0.00 C ATOM 1938 O GLY B 20 5.463 13.200 -0.626 1.00 0.00 O ATOM 0 H GLY B 20 2.787 11.299 -0.726 1.00 0.00 H new ATOM 0 HA2 GLY B 20 2.397 14.075 -0.978 1.00 0.00 H new ATOM 0 HA3 GLY B 20 2.731 13.167 0.483 1.00 0.00 H new ATOM 1942 N GLN B 21 4.530 15.228 -0.314 1.00 0.00 N ATOM 1943 CA GLN B 21 5.792 15.967 -0.254 1.00 0.00 C ATOM 1944 C GLN B 21 6.683 15.483 0.886 1.00 0.00 C ATOM 1945 O GLN B 21 7.900 15.593 0.805 1.00 0.00 O ATOM 1946 CB GLN B 21 5.518 17.462 -0.093 1.00 0.00 C ATOM 1947 CG GLN B 21 5.176 18.162 -1.396 1.00 0.00 C ATOM 1948 CD GLN B 21 5.664 19.596 -1.429 1.00 0.00 C ATOM 1949 OE1 GLN B 21 4.972 20.513 -0.981 1.00 0.00 O ATOM 1950 NE2 GLN B 21 6.858 19.800 -1.958 1.00 0.00 N ATOM 0 H GLN B 21 3.704 15.815 -0.202 1.00 0.00 H new ATOM 0 HA GLN B 21 6.320 15.787 -1.190 1.00 0.00 H new ATOM 0 HB2 GLN B 21 4.696 17.598 0.609 1.00 0.00 H new ATOM 0 HB3 GLN B 21 6.395 17.938 0.346 1.00 0.00 H new ATOM 0 HG2 GLN B 21 5.618 17.612 -2.227 1.00 0.00 H new ATOM 0 HG3 GLN B 21 4.096 18.146 -1.541 1.00 0.00 H new ATOM 0 HE21 GLN B 21 7.398 19.013 -2.317 1.00 0.00 H new ATOM 0 HE22 GLN B 21 7.240 20.745 -2.007 1.00 0.00 H new ATOM 1959 N GLN B 22 6.071 14.937 1.935 1.00 0.00 N ATOM 1960 CA GLN B 22 6.814 14.419 3.082 1.00 0.00 C ATOM 1961 C GLN B 22 7.761 13.298 2.657 1.00 0.00 C ATOM 1962 O GLN B 22 8.941 13.315 2.999 1.00 0.00 O ATOM 1963 CB GLN B 22 5.854 13.904 4.159 1.00 0.00 C ATOM 1964 CG GLN B 22 4.704 14.853 4.470 1.00 0.00 C ATOM 1965 CD GLN B 22 3.395 14.404 3.846 1.00 0.00 C ATOM 1966 OE1 GLN B 22 3.206 14.500 2.632 1.00 0.00 O ATOM 1967 NE2 GLN B 22 2.486 13.910 4.670 1.00 0.00 N ATOM 0 H GLN B 22 5.059 14.842 2.014 1.00 0.00 H new ATOM 0 HA GLN B 22 7.404 15.238 3.494 1.00 0.00 H new ATOM 0 HB2 GLN B 22 5.444 12.946 3.838 1.00 0.00 H new ATOM 0 HB3 GLN B 22 6.417 13.719 5.074 1.00 0.00 H new ATOM 0 HG2 GLN B 22 4.581 14.928 5.550 1.00 0.00 H new ATOM 0 HG3 GLN B 22 4.952 15.851 4.108 1.00 0.00 H new ATOM 0 HE21 GLN B 22 2.683 13.848 5.669 1.00 0.00 H new ATOM 0 HE22 GLN B 22 1.588 13.591 4.307 1.00 0.00 H new ATOM 1976 N THR B 23 7.236 12.347 1.886 1.00 0.00 N ATOM 1977 CA THR B 23 8.014 11.213 1.392 1.00 0.00 C ATOM 1978 C THR B 23 9.180 11.670 0.505 1.00 0.00 C ATOM 1979 O THR B 23 10.292 11.146 0.599 1.00 0.00 O ATOM 1980 CB THR B 23 7.110 10.255 0.589 1.00 0.00 C ATOM 1981 OG1 THR B 23 5.758 10.741 0.598 1.00 0.00 O ATOM 1982 CG2 THR B 23 7.142 8.850 1.167 1.00 0.00 C ATOM 0 H THR B 23 6.261 12.341 1.587 1.00 0.00 H new ATOM 0 HA THR B 23 8.423 10.696 2.260 1.00 0.00 H new ATOM 0 HB THR B 23 7.486 10.216 -0.433 1.00 0.00 H new ATOM 0 HG1 THR B 23 5.697 11.548 0.045 1.00 0.00 H new ATOM 0 HG21 THR B 23 6.495 8.200 0.579 1.00 0.00 H new ATOM 0 HG22 THR B 23 8.163 8.468 1.139 1.00 0.00 H new ATOM 0 HG23 THR B 23 6.792 8.873 2.199 1.00 0.00 H new ATOM 1990 N ILE B 24 8.913 12.660 -0.341 1.00 0.00 N ATOM 1991 CA ILE B 24 9.910 13.185 -1.271 1.00 0.00 C ATOM 1992 C ILE B 24 11.011 13.956 -0.535 1.00 0.00 C ATOM 1993 O ILE B 24 12.195 13.780 -0.819 1.00 0.00 O ATOM 1994 CB ILE B 24 9.243 14.096 -2.330 1.00 0.00 C ATOM 1995 CG1 ILE B 24 8.102 13.343 -3.022 1.00 0.00 C ATOM 1996 CG2 ILE B 24 10.263 14.582 -3.355 1.00 0.00 C ATOM 1997 CD1 ILE B 24 7.095 14.245 -3.704 1.00 0.00 C ATOM 0 H ILE B 24 8.005 13.120 -0.402 1.00 0.00 H new ATOM 0 HA ILE B 24 10.369 12.334 -1.774 1.00 0.00 H new ATOM 0 HB ILE B 24 8.835 14.971 -1.825 1.00 0.00 H new ATOM 0 HG12 ILE B 24 8.525 12.663 -3.761 1.00 0.00 H new ATOM 0 HG13 ILE B 24 7.584 12.730 -2.284 1.00 0.00 H new ATOM 0 HG21 ILE B 24 9.768 15.220 -4.087 1.00 0.00 H new ATOM 0 HG22 ILE B 24 11.045 15.149 -2.850 1.00 0.00 H new ATOM 0 HG23 ILE B 24 10.706 13.725 -3.862 1.00 0.00 H new ATOM 0 HD11 ILE B 24 6.319 13.637 -4.170 1.00 0.00 H new ATOM 0 HD12 ILE B 24 6.642 14.908 -2.967 1.00 0.00 H new ATOM 0 HD13 ILE B 24 7.597 14.840 -4.467 1.00 0.00 H new ATOM 2009 N GLU B 25 10.615 14.784 0.426 1.00 0.00 N ATOM 2010 CA GLU B 25 11.546 15.626 1.155 1.00 0.00 C ATOM 2011 C GLU B 25 12.447 14.810 2.084 1.00 0.00 C ATOM 2012 O GLU B 25 13.584 15.202 2.348 1.00 0.00 O ATOM 2013 CB GLU B 25 10.772 16.668 1.951 1.00 0.00 C ATOM 2014 CG GLU B 25 10.262 17.844 1.123 1.00 0.00 C ATOM 2015 CD GLU B 25 11.147 18.177 -0.063 1.00 0.00 C ATOM 2016 OE1 GLU B 25 12.257 18.703 0.148 1.00 0.00 O ATOM 2017 OE2 GLU B 25 10.733 17.924 -1.212 1.00 0.00 O ATOM 0 H GLU B 25 9.643 14.887 0.718 1.00 0.00 H new ATOM 0 HA GLU B 25 12.193 16.121 0.431 1.00 0.00 H new ATOM 0 HB2 GLU B 25 9.923 16.183 2.432 1.00 0.00 H new ATOM 0 HB3 GLU B 25 11.413 17.050 2.746 1.00 0.00 H new ATOM 0 HG2 GLU B 25 9.258 17.618 0.765 1.00 0.00 H new ATOM 0 HG3 GLU B 25 10.181 18.722 1.764 1.00 0.00 H new ATOM 2024 N ILE B 26 11.945 13.674 2.573 1.00 0.00 N ATOM 2025 CA ILE B 26 12.770 12.766 3.374 1.00 0.00 C ATOM 2026 C ILE B 26 13.880 12.195 2.500 1.00 0.00 C ATOM 2027 O ILE B 26 15.056 12.245 2.857 1.00 0.00 O ATOM 2028 CB ILE B 26 11.945 11.601 3.985 1.00 0.00 C ATOM 2029 CG1 ILE B 26 10.976 12.125 5.053 1.00 0.00 C ATOM 2030 CG2 ILE B 26 12.857 10.522 4.578 1.00 0.00 C ATOM 2031 CD1 ILE B 26 11.650 12.699 6.284 1.00 0.00 C ATOM 0 H ILE B 26 10.984 13.363 2.431 1.00 0.00 H new ATOM 0 HA ILE B 26 13.186 13.341 4.201 1.00 0.00 H new ATOM 0 HB ILE B 26 11.367 11.148 3.179 1.00 0.00 H new ATOM 0 HG12 ILE B 26 10.345 12.894 4.607 1.00 0.00 H new ATOM 0 HG13 ILE B 26 10.319 11.312 5.360 1.00 0.00 H new ATOM 0 HG21 ILE B 26 12.248 9.721 4.997 1.00 0.00 H new ATOM 0 HG22 ILE B 26 13.499 10.118 3.795 1.00 0.00 H new ATOM 0 HG23 ILE B 26 13.474 10.958 5.364 1.00 0.00 H new ATOM 0 HD11 ILE B 26 10.891 13.045 6.986 1.00 0.00 H new ATOM 0 HD12 ILE B 26 12.258 11.929 6.758 1.00 0.00 H new ATOM 0 HD13 ILE B 26 12.285 13.536 5.994 1.00 0.00 H new ATOM 2043 N ALA B 27 13.486 11.702 1.329 1.00 0.00 N ATOM 2044 CA ALA B 27 14.408 11.098 0.373 1.00 0.00 C ATOM 2045 C ALA B 27 15.436 12.111 -0.145 1.00 0.00 C ATOM 2046 O ALA B 27 16.566 11.746 -0.469 1.00 0.00 O ATOM 2047 CB ALA B 27 13.620 10.510 -0.782 1.00 0.00 C ATOM 0 H ALA B 27 12.515 11.710 1.016 1.00 0.00 H new ATOM 0 HA ALA B 27 14.961 10.309 0.883 1.00 0.00 H new ATOM 0 HB1 ALA B 27 14.306 10.058 -1.498 1.00 0.00 H new ATOM 0 HB2 ALA B 27 12.936 9.750 -0.406 1.00 0.00 H new ATOM 0 HB3 ALA B 27 13.051 11.299 -1.273 1.00 0.00 H new ATOM 2053 N ARG B 28 15.033 13.383 -0.190 1.00 0.00 N ATOM 2054 CA ARG B 28 15.884 14.476 -0.672 1.00 0.00 C ATOM 2055 C ARG B 28 17.150 14.636 0.172 1.00 0.00 C ATOM 2056 O ARG B 28 18.178 15.095 -0.316 1.00 0.00 O ATOM 2057 CB ARG B 28 15.099 15.789 -0.684 1.00 0.00 C ATOM 2058 CG ARG B 28 15.615 16.791 -1.699 1.00 0.00 C ATOM 2059 CD ARG B 28 14.586 17.865 -1.991 1.00 0.00 C ATOM 2060 NE ARG B 28 14.600 18.260 -3.395 1.00 0.00 N ATOM 2061 CZ ARG B 28 13.513 18.591 -4.091 1.00 0.00 C ATOM 2062 NH1 ARG B 28 12.310 18.558 -3.527 1.00 0.00 N ATOM 2063 NH2 ARG B 28 13.631 18.952 -5.360 1.00 0.00 N ATOM 0 H ARG B 28 14.105 13.686 0.107 1.00 0.00 H new ATOM 0 HA ARG B 28 16.193 14.223 -1.686 1.00 0.00 H new ATOM 0 HB2 ARG B 28 14.051 15.575 -0.896 1.00 0.00 H new ATOM 0 HB3 ARG B 28 15.138 16.236 0.309 1.00 0.00 H new ATOM 0 HG2 ARG B 28 16.528 17.253 -1.324 1.00 0.00 H new ATOM 0 HG3 ARG B 28 15.875 16.274 -2.623 1.00 0.00 H new ATOM 0 HD2 ARG B 28 13.594 17.500 -1.726 1.00 0.00 H new ATOM 0 HD3 ARG B 28 14.782 18.736 -1.366 1.00 0.00 H new ATOM 0 HE ARG B 28 15.500 18.284 -3.875 1.00 0.00 H new ATOM 0 HH11 ARG B 28 12.212 18.277 -2.551 1.00 0.00 H new ATOM 0 HH12 ARG B 28 11.485 18.814 -4.070 1.00 0.00 H new ATOM 0 HH21 ARG B 28 14.551 18.976 -5.800 1.00 0.00 H new ATOM 0 HH22 ARG B 28 12.802 19.206 -5.897 1.00 0.00 H new ATOM 2077 N GLY B 29 17.072 14.274 1.439 1.00 0.00 N ATOM 2078 CA GLY B 29 18.250 14.326 2.281 1.00 0.00 C ATOM 2079 C GLY B 29 18.793 12.947 2.582 1.00 0.00 C ATOM 2080 O GLY B 29 19.995 12.765 2.755 1.00 0.00 O ATOM 0 H GLY B 29 16.223 13.947 1.900 1.00 0.00 H new ATOM 0 HA2 GLY B 29 19.021 14.920 1.790 1.00 0.00 H new ATOM 0 HA3 GLY B 29 18.006 14.831 3.215 1.00 0.00 H new ATOM 2084 N VAL B 30 17.903 11.970 2.604 1.00 0.00 N ATOM 2085 CA VAL B 30 18.242 10.620 3.002 1.00 0.00 C ATOM 2086 C VAL B 30 19.032 9.889 1.908 1.00 0.00 C ATOM 2087 O VAL B 30 20.085 9.319 2.183 1.00 0.00 O ATOM 2088 CB VAL B 30 16.945 9.864 3.397 1.00 0.00 C ATOM 2089 CG1 VAL B 30 16.905 8.435 2.894 1.00 0.00 C ATOM 2090 CG2 VAL B 30 16.764 9.904 4.900 1.00 0.00 C ATOM 0 H VAL B 30 16.924 12.093 2.345 1.00 0.00 H new ATOM 0 HA VAL B 30 18.899 10.656 3.871 1.00 0.00 H new ATOM 0 HB VAL B 30 16.117 10.379 2.910 1.00 0.00 H new ATOM 0 HG11 VAL B 30 15.972 7.966 3.206 1.00 0.00 H new ATOM 0 HG12 VAL B 30 16.968 8.430 1.806 1.00 0.00 H new ATOM 0 HG13 VAL B 30 17.746 7.880 3.308 1.00 0.00 H new ATOM 0 HG21 VAL B 30 15.852 9.372 5.171 1.00 0.00 H new ATOM 0 HG22 VAL B 30 17.618 9.429 5.382 1.00 0.00 H new ATOM 0 HG23 VAL B 30 16.691 10.940 5.230 1.00 0.00 H new ATOM 2100 N LEU B 31 18.548 9.931 0.669 1.00 0.00 N ATOM 2101 CA LEU B 31 19.213 9.204 -0.413 1.00 0.00 C ATOM 2102 C LEU B 31 19.776 10.137 -1.482 1.00 0.00 C ATOM 2103 O LEU B 31 20.299 9.680 -2.487 1.00 0.00 O ATOM 2104 CB LEU B 31 18.279 8.164 -1.051 1.00 0.00 C ATOM 2105 CG LEU B 31 16.868 8.644 -1.390 1.00 0.00 C ATOM 2106 CD1 LEU B 31 16.748 8.971 -2.871 1.00 0.00 C ATOM 2107 CD2 LEU B 31 15.847 7.589 -0.999 1.00 0.00 C ATOM 0 H LEU B 31 17.715 10.449 0.391 1.00 0.00 H new ATOM 0 HA LEU B 31 20.054 8.681 0.043 1.00 0.00 H new ATOM 0 HB2 LEU B 31 18.746 7.799 -1.966 1.00 0.00 H new ATOM 0 HB3 LEU B 31 18.198 7.314 -0.373 1.00 0.00 H new ATOM 0 HG LEU B 31 16.670 9.554 -0.823 1.00 0.00 H new ATOM 0 HD11 LEU B 31 15.735 9.310 -3.088 1.00 0.00 H new ATOM 0 HD12 LEU B 31 17.457 9.758 -3.129 1.00 0.00 H new ATOM 0 HD13 LEU B 31 16.966 8.080 -3.459 1.00 0.00 H new ATOM 0 HD21 LEU B 31 14.846 7.943 -1.245 1.00 0.00 H new ATOM 0 HD22 LEU B 31 16.050 6.667 -1.543 1.00 0.00 H new ATOM 0 HD23 LEU B 31 15.911 7.400 0.073 1.00 0.00 H new ATOM 2119 N VAL B 32 19.641 11.438 -1.297 1.00 0.00 N ATOM 2120 CA VAL B 32 20.322 12.385 -2.175 1.00 0.00 C ATOM 2121 C VAL B 32 21.617 12.856 -1.523 1.00 0.00 C ATOM 2122 O VAL B 32 22.694 12.771 -2.115 1.00 0.00 O ATOM 2123 CB VAL B 32 19.432 13.593 -2.538 1.00 0.00 C ATOM 2124 CG1 VAL B 32 20.170 14.582 -3.430 1.00 0.00 C ATOM 2125 CG2 VAL B 32 18.162 13.125 -3.220 1.00 0.00 C ATOM 0 H VAL B 32 19.077 11.862 -0.561 1.00 0.00 H new ATOM 0 HA VAL B 32 20.549 11.866 -3.106 1.00 0.00 H new ATOM 0 HB VAL B 32 19.173 14.105 -1.611 1.00 0.00 H new ATOM 0 HG11 VAL B 32 19.513 15.420 -3.666 1.00 0.00 H new ATOM 0 HG12 VAL B 32 21.055 14.950 -2.911 1.00 0.00 H new ATOM 0 HG13 VAL B 32 20.470 14.086 -4.353 1.00 0.00 H new ATOM 0 HG21 VAL B 32 17.544 13.988 -3.470 1.00 0.00 H new ATOM 0 HG22 VAL B 32 18.417 12.584 -4.132 1.00 0.00 H new ATOM 0 HG23 VAL B 32 17.611 12.466 -2.549 1.00 0.00 H new ATOM 2135 N ASP B 33 21.501 13.325 -0.286 1.00 0.00 N ATOM 2136 CA ASP B 33 22.655 13.794 0.468 1.00 0.00 C ATOM 2137 C ASP B 33 23.356 12.617 1.128 1.00 0.00 C ATOM 2138 O ASP B 33 24.585 12.564 1.199 1.00 0.00 O ATOM 2139 CB ASP B 33 22.230 14.807 1.537 1.00 0.00 C ATOM 2140 CG ASP B 33 23.400 15.597 2.093 1.00 0.00 C ATOM 2141 OD1 ASP B 33 23.870 16.533 1.415 1.00 0.00 O ATOM 2142 OD2 ASP B 33 23.854 15.290 3.213 1.00 0.00 O ATOM 0 H ASP B 33 20.616 13.390 0.217 1.00 0.00 H new ATOM 0 HA ASP B 33 23.341 14.284 -0.223 1.00 0.00 H new ATOM 0 HB2 ASP B 33 21.502 15.496 1.109 1.00 0.00 H new ATOM 0 HB3 ASP B 33 21.732 14.282 2.352 1.00 0.00 H new ATOM 2147 N GLY B 34 22.561 11.663 1.589 1.00 0.00 N ATOM 2148 CA GLY B 34 23.102 10.519 2.282 1.00 0.00 C ATOM 2149 C GLY B 34 23.099 10.731 3.772 1.00 0.00 C ATOM 2150 O GLY B 34 24.113 10.540 4.439 1.00 0.00 O ATOM 0 H GLY B 34 21.546 11.664 1.493 1.00 0.00 H new ATOM 0 HA2 GLY B 34 22.517 9.633 2.037 1.00 0.00 H new ATOM 0 HA3 GLY B 34 24.120 10.333 1.941 1.00 0.00 H new ATOM 2154 N LYS B 35 21.958 11.147 4.292 1.00 0.00 N ATOM 2155 CA LYS B 35 21.832 11.436 5.706 1.00 0.00 C ATOM 2156 C LYS B 35 21.181 10.268 6.439 1.00 0.00 C ATOM 2157 O LYS B 35 20.307 9.598 5.881 1.00 0.00 O ATOM 2158 CB LYS B 35 21.014 12.712 5.916 1.00 0.00 C ATOM 2159 CG LYS B 35 21.815 13.990 5.731 1.00 0.00 C ATOM 2160 CD LYS B 35 22.678 14.285 6.947 1.00 0.00 C ATOM 2161 CE LYS B 35 23.462 15.574 6.774 1.00 0.00 C ATOM 2162 NZ LYS B 35 24.642 15.397 5.887 1.00 0.00 N ATOM 0 H LYS B 35 21.104 11.292 3.753 1.00 0.00 H new ATOM 0 HA LYS B 35 22.831 11.586 6.115 1.00 0.00 H new ATOM 0 HB2 LYS B 35 20.176 12.715 5.218 1.00 0.00 H new ATOM 0 HB3 LYS B 35 20.592 12.701 6.921 1.00 0.00 H new ATOM 0 HG2 LYS B 35 22.447 13.900 4.848 1.00 0.00 H new ATOM 0 HG3 LYS B 35 21.136 14.824 5.554 1.00 0.00 H new ATOM 0 HD2 LYS B 35 22.047 14.358 7.833 1.00 0.00 H new ATOM 0 HD3 LYS B 35 23.368 13.458 7.114 1.00 0.00 H new ATOM 0 HE2 LYS B 35 22.809 16.342 6.359 1.00 0.00 H new ATOM 0 HE3 LYS B 35 23.793 15.930 7.750 1.00 0.00 H new ATOM 0 HZ1 LYS B 35 25.282 16.210 5.995 1.00 0.00 H new ATOM 0 HZ2 LYS B 35 25.144 14.524 6.147 1.00 0.00 H new ATOM 0 HZ3 LYS B 35 24.326 15.333 4.898 1.00 0.00 H new ATOM 2176 N PRO B 36 21.607 10.007 7.697 1.00 0.00 N ATOM 2177 CA PRO B 36 21.088 8.894 8.506 1.00 0.00 C ATOM 2178 C PRO B 36 19.572 8.956 8.693 1.00 0.00 C ATOM 2179 O PRO B 36 19.007 10.013 8.993 1.00 0.00 O ATOM 2180 CB PRO B 36 21.796 9.056 9.853 1.00 0.00 C ATOM 2181 CG PRO B 36 23.011 9.865 9.561 1.00 0.00 C ATOM 2182 CD PRO B 36 22.638 10.773 8.426 1.00 0.00 C ATOM 0 HA PRO B 36 21.275 7.934 8.025 1.00 0.00 H new ATOM 0 HB2 PRO B 36 21.154 9.557 10.577 1.00 0.00 H new ATOM 0 HB3 PRO B 36 22.060 8.088 10.278 1.00 0.00 H new ATOM 0 HG2 PRO B 36 23.318 10.439 10.436 1.00 0.00 H new ATOM 0 HG3 PRO B 36 23.850 9.225 9.289 1.00 0.00 H new ATOM 0 HD2 PRO B 36 22.251 11.726 8.785 1.00 0.00 H new ATOM 0 HD3 PRO B 36 23.496 10.996 7.792 1.00 0.00 H new ATOM 2190 N GLN B 37 18.931 7.806 8.532 1.00 0.00 N ATOM 2191 CA GLN B 37 17.476 7.707 8.568 1.00 0.00 C ATOM 2192 C GLN B 37 16.952 7.775 10.000 1.00 0.00 C ATOM 2193 O GLN B 37 15.848 8.266 10.243 1.00 0.00 O ATOM 2194 CB GLN B 37 17.029 6.398 7.913 1.00 0.00 C ATOM 2195 CG GLN B 37 16.936 6.472 6.397 1.00 0.00 C ATOM 2196 CD GLN B 37 18.209 6.018 5.702 1.00 0.00 C ATOM 2197 OE1 GLN B 37 19.054 6.968 5.333 1.00 0.00 O flip ATOM 2198 NE2 GLN B 37 18.430 4.825 5.497 1.00 0.00 N flip ATOM 0 H GLN B 37 19.403 6.916 8.373 1.00 0.00 H new ATOM 0 HA GLN B 37 17.064 8.552 8.016 1.00 0.00 H new ATOM 0 HB2 GLN B 37 17.728 5.608 8.187 1.00 0.00 H new ATOM 0 HB3 GLN B 37 16.056 6.115 8.314 1.00 0.00 H new ATOM 0 HG2 GLN B 37 16.104 5.855 6.059 1.00 0.00 H new ATOM 0 HG3 GLN B 37 16.713 7.497 6.102 1.00 0.00 H new ATOM 0 HE21 GLN B 37 17.754 4.122 5.797 1.00 0.00 H new ATOM 0 HE22 GLN B 37 19.289 4.539 5.028 1.00 0.00 H new ATOM 2207 N ALA B 38 17.760 7.292 10.941 1.00 0.00 N ATOM 2208 CA ALA B 38 17.381 7.261 12.350 1.00 0.00 C ATOM 2209 C ALA B 38 17.182 8.670 12.905 1.00 0.00 C ATOM 2210 O ALA B 38 16.183 8.943 13.568 1.00 0.00 O ATOM 2211 CB ALA B 38 18.426 6.507 13.160 1.00 0.00 C ATOM 0 H ALA B 38 18.688 6.914 10.750 1.00 0.00 H new ATOM 0 HA ALA B 38 16.428 6.738 12.432 1.00 0.00 H new ATOM 0 HB1 ALA B 38 18.131 6.491 14.209 1.00 0.00 H new ATOM 0 HB2 ALA B 38 18.505 5.485 12.790 1.00 0.00 H new ATOM 0 HB3 ALA B 38 19.391 7.004 13.062 1.00 0.00 H new ATOM 2217 N THR B 39 18.116 9.566 12.600 1.00 0.00 N ATOM 2218 CA THR B 39 18.046 10.939 13.083 1.00 0.00 C ATOM 2219 C THR B 39 17.000 11.744 12.318 1.00 0.00 C ATOM 2220 O THR B 39 16.426 12.694 12.850 1.00 0.00 O ATOM 2221 CB THR B 39 19.409 11.639 12.957 1.00 0.00 C ATOM 2222 OG1 THR B 39 20.264 10.889 12.082 1.00 0.00 O ATOM 2223 CG2 THR B 39 20.063 11.785 14.320 1.00 0.00 C ATOM 0 H THR B 39 18.930 9.364 12.020 1.00 0.00 H new ATOM 0 HA THR B 39 17.760 10.892 14.134 1.00 0.00 H new ATOM 0 HB THR B 39 19.251 12.634 12.540 1.00 0.00 H new ATOM 0 HG1 THR B 39 21.130 11.341 12.004 1.00 0.00 H new ATOM 0 HG21 THR B 39 21.027 12.283 14.210 1.00 0.00 H new ATOM 0 HG22 THR B 39 19.420 12.378 14.970 1.00 0.00 H new ATOM 0 HG23 THR B 39 20.212 10.799 14.759 1.00 0.00 H new ATOM 2231 N PHE B 40 16.746 11.343 11.073 1.00 0.00 N ATOM 2232 CA PHE B 40 15.780 12.025 10.221 1.00 0.00 C ATOM 2233 C PHE B 40 14.366 11.844 10.762 1.00 0.00 C ATOM 2234 O PHE B 40 13.539 12.758 10.700 1.00 0.00 O ATOM 2235 CB PHE B 40 15.870 11.482 8.796 1.00 0.00 C ATOM 2236 CG PHE B 40 16.128 12.540 7.762 1.00 0.00 C ATOM 2237 CD1 PHE B 40 15.079 13.244 7.194 1.00 0.00 C ATOM 2238 CD2 PHE B 40 17.419 12.829 7.354 1.00 0.00 C ATOM 2239 CE1 PHE B 40 15.314 14.215 6.239 1.00 0.00 C ATOM 2240 CE2 PHE B 40 17.659 13.800 6.399 1.00 0.00 C ATOM 2241 CZ PHE B 40 16.606 14.493 5.841 1.00 0.00 C ATOM 0 H PHE B 40 17.201 10.543 10.632 1.00 0.00 H new ATOM 0 HA PHE B 40 16.012 13.090 10.214 1.00 0.00 H new ATOM 0 HB2 PHE B 40 16.666 10.739 8.749 1.00 0.00 H new ATOM 0 HB3 PHE B 40 14.940 10.968 8.553 1.00 0.00 H new ATOM 0 HD1 PHE B 40 14.066 13.032 7.501 1.00 0.00 H new ATOM 0 HD2 PHE B 40 18.249 12.290 7.787 1.00 0.00 H new ATOM 0 HE1 PHE B 40 14.487 14.756 5.804 1.00 0.00 H new ATOM 0 HE2 PHE B 40 18.671 14.015 6.090 1.00 0.00 H new ATOM 0 HZ PHE B 40 16.791 15.251 5.095 1.00 0.00 H new ATOM 2251 N ALA B 41 14.113 10.662 11.321 1.00 0.00 N ATOM 2252 CA ALA B 41 12.821 10.339 11.907 1.00 0.00 C ATOM 2253 C ALA B 41 12.568 11.168 13.161 1.00 0.00 C ATOM 2254 O ALA B 41 11.452 11.622 13.399 1.00 0.00 O ATOM 2255 CB ALA B 41 12.753 8.853 12.231 1.00 0.00 C ATOM 0 H ALA B 41 14.797 9.907 11.379 1.00 0.00 H new ATOM 0 HA ALA B 41 12.044 10.580 11.181 1.00 0.00 H new ATOM 0 HB1 ALA B 41 11.783 8.620 12.669 1.00 0.00 H new ATOM 0 HB2 ALA B 41 12.886 8.275 11.317 1.00 0.00 H new ATOM 0 HB3 ALA B 41 13.541 8.599 12.939 1.00 0.00 H new ATOM 2261 N THR B 42 13.620 11.386 13.939 1.00 0.00 N ATOM 2262 CA THR B 42 13.512 12.129 15.186 1.00 0.00 C ATOM 2263 C THR B 42 13.351 13.631 14.939 1.00 0.00 C ATOM 2264 O THR B 42 12.638 14.314 15.674 1.00 0.00 O ATOM 2265 CB THR B 42 14.745 11.889 16.072 1.00 0.00 C ATOM 2266 OG1 THR B 42 15.428 10.707 15.642 1.00 0.00 O ATOM 2267 CG2 THR B 42 14.344 11.744 17.529 1.00 0.00 C ATOM 0 H THR B 42 14.562 11.057 13.726 1.00 0.00 H new ATOM 0 HA THR B 42 12.620 11.765 15.697 1.00 0.00 H new ATOM 0 HB THR B 42 15.407 12.750 15.979 1.00 0.00 H new ATOM 0 HG1 THR B 42 16.214 10.559 16.208 1.00 0.00 H new ATOM 0 HG21 THR B 42 15.233 11.575 18.136 1.00 0.00 H new ATOM 0 HG22 THR B 42 13.845 12.654 17.861 1.00 0.00 H new ATOM 0 HG23 THR B 42 13.665 10.898 17.637 1.00 0.00 H new ATOM 2275 N SER B 43 14.011 14.133 13.898 1.00 0.00 N ATOM 2276 CA SER B 43 13.978 15.556 13.576 1.00 0.00 C ATOM 2277 C SER B 43 12.596 16.000 13.098 1.00 0.00 C ATOM 2278 O SER B 43 12.038 16.970 13.614 1.00 0.00 O ATOM 2279 CB SER B 43 15.025 15.878 12.512 1.00 0.00 C ATOM 2280 OG SER B 43 16.334 15.677 13.013 1.00 0.00 O ATOM 0 H SER B 43 14.577 13.572 13.261 1.00 0.00 H new ATOM 0 HA SER B 43 14.205 16.105 14.490 1.00 0.00 H new ATOM 0 HB2 SER B 43 14.866 15.248 11.637 1.00 0.00 H new ATOM 0 HB3 SER B 43 14.911 16.912 12.185 1.00 0.00 H new ATOM 0 HG SER B 43 16.534 14.718 13.030 1.00 0.00 H new ATOM 2286 N LEU B 44 12.043 15.282 12.126 1.00 0.00 N ATOM 2287 CA LEU B 44 10.754 15.649 11.550 1.00 0.00 C ATOM 2288 C LEU B 44 9.605 15.193 12.444 1.00 0.00 C ATOM 2289 O LEU B 44 8.499 15.732 12.377 1.00 0.00 O ATOM 2290 CB LEU B 44 10.609 15.043 10.154 1.00 0.00 C ATOM 2291 CG LEU B 44 10.569 16.059 9.012 1.00 0.00 C ATOM 2292 CD1 LEU B 44 11.875 16.036 8.234 1.00 0.00 C ATOM 2293 CD2 LEU B 44 9.390 15.779 8.092 1.00 0.00 C ATOM 0 H LEU B 44 12.465 14.446 11.722 1.00 0.00 H new ATOM 0 HA LEU B 44 10.713 16.735 11.472 1.00 0.00 H new ATOM 0 HB2 LEU B 44 11.440 14.358 9.983 1.00 0.00 H new ATOM 0 HB3 LEU B 44 9.695 14.449 10.125 1.00 0.00 H new ATOM 0 HG LEU B 44 10.442 17.054 9.438 1.00 0.00 H new ATOM 0 HD11 LEU B 44 11.829 16.765 7.425 1.00 0.00 H new ATOM 0 HD12 LEU B 44 12.700 16.285 8.901 1.00 0.00 H new ATOM 0 HD13 LEU B 44 12.033 15.041 7.817 1.00 0.00 H new ATOM 0 HD21 LEU B 44 9.376 16.511 7.285 1.00 0.00 H new ATOM 0 HD22 LEU B 44 9.486 14.778 7.672 1.00 0.00 H new ATOM 0 HD23 LEU B 44 8.462 15.847 8.659 1.00 0.00 H new ATOM 2305 N GLY B 45 9.878 14.203 13.283 1.00 0.00 N ATOM 2306 CA GLY B 45 8.859 13.674 14.163 1.00 0.00 C ATOM 2307 C GLY B 45 8.006 12.640 13.470 1.00 0.00 C ATOM 2308 O GLY B 45 6.858 12.413 13.850 1.00 0.00 O ATOM 0 H GLY B 45 10.791 13.756 13.369 1.00 0.00 H new ATOM 0 HA2 GLY B 45 9.330 13.229 15.040 1.00 0.00 H new ATOM 0 HA3 GLY B 45 8.227 14.488 14.519 1.00 0.00 H new ATOM 2312 N LEU B 46 8.567 12.029 12.436 1.00 0.00 N ATOM 2313 CA LEU B 46 7.881 10.986 11.698 1.00 0.00 C ATOM 2314 C LEU B 46 8.139 9.637 12.349 1.00 0.00 C ATOM 2315 O LEU B 46 9.055 9.498 13.162 1.00 0.00 O ATOM 2316 CB LEU B 46 8.369 10.956 10.246 1.00 0.00 C ATOM 2317 CG LEU B 46 7.509 11.711 9.223 1.00 0.00 C ATOM 2318 CD1 LEU B 46 7.033 13.053 9.765 1.00 0.00 C ATOM 2319 CD2 LEU B 46 8.299 11.914 7.948 1.00 0.00 C ATOM 0 H LEU B 46 9.502 12.242 12.090 1.00 0.00 H new ATOM 0 HA LEU B 46 6.811 11.195 11.710 1.00 0.00 H new ATOM 0 HB2 LEU B 46 9.378 11.368 10.216 1.00 0.00 H new ATOM 0 HB3 LEU B 46 8.441 9.915 9.931 1.00 0.00 H new ATOM 0 HG LEU B 46 6.624 11.110 9.016 1.00 0.00 H new ATOM 0 HD11 LEU B 46 6.428 13.556 9.011 1.00 0.00 H new ATOM 0 HD12 LEU B 46 6.435 12.892 10.662 1.00 0.00 H new ATOM 0 HD13 LEU B 46 7.895 13.673 10.011 1.00 0.00 H new ATOM 0 HD21 LEU B 46 7.687 12.450 7.222 1.00 0.00 H new ATOM 0 HD22 LEU B 46 9.197 12.493 8.164 1.00 0.00 H new ATOM 0 HD23 LEU B 46 8.583 10.945 7.538 1.00 0.00 H new ATOM 2331 N THR B 47 7.336 8.648 11.996 1.00 0.00 N ATOM 2332 CA THR B 47 7.543 7.301 12.487 1.00 0.00 C ATOM 2333 C THR B 47 8.697 6.640 11.737 1.00 0.00 C ATOM 2334 O THR B 47 9.015 7.029 10.609 1.00 0.00 O ATOM 2335 CB THR B 47 6.269 6.451 12.330 1.00 0.00 C ATOM 2336 OG1 THR B 47 5.417 7.031 11.333 1.00 0.00 O ATOM 2337 CG2 THR B 47 5.518 6.354 13.650 1.00 0.00 C ATOM 0 H THR B 47 6.536 8.754 11.372 1.00 0.00 H new ATOM 0 HA THR B 47 7.787 7.364 13.547 1.00 0.00 H new ATOM 0 HB THR B 47 6.561 5.447 12.022 1.00 0.00 H new ATOM 0 HG1 THR B 47 4.609 6.485 11.236 1.00 0.00 H new ATOM 0 HG21 THR B 47 4.622 5.749 13.515 1.00 0.00 H new ATOM 0 HG22 THR B 47 6.159 5.891 14.400 1.00 0.00 H new ATOM 0 HG23 THR B 47 5.235 7.353 13.982 1.00 0.00 H new ATOM 2345 N ARG B 48 9.317 5.645 12.362 1.00 0.00 N ATOM 2346 CA ARG B 48 10.437 4.927 11.757 1.00 0.00 C ATOM 2347 C ARG B 48 10.010 4.242 10.464 1.00 0.00 C ATOM 2348 O ARG B 48 10.743 4.251 9.475 1.00 0.00 O ATOM 2349 CB ARG B 48 10.997 3.895 12.736 1.00 0.00 C ATOM 2350 CG ARG B 48 12.324 4.299 13.358 1.00 0.00 C ATOM 2351 CD ARG B 48 12.390 3.954 14.844 1.00 0.00 C ATOM 2352 NE ARG B 48 11.690 2.705 15.172 1.00 0.00 N ATOM 2353 CZ ARG B 48 12.204 1.480 15.019 1.00 0.00 C ATOM 2354 NH1 ARG B 48 13.444 1.313 14.563 1.00 0.00 N ATOM 2355 NH2 ARG B 48 11.475 0.418 15.336 1.00 0.00 N ATOM 0 H ARG B 48 9.062 5.315 13.293 1.00 0.00 H new ATOM 0 HA ARG B 48 11.216 5.652 11.521 1.00 0.00 H new ATOM 0 HB2 ARG B 48 10.269 3.729 13.530 1.00 0.00 H new ATOM 0 HB3 ARG B 48 11.124 2.945 12.216 1.00 0.00 H new ATOM 0 HG2 ARG B 48 13.137 3.798 12.833 1.00 0.00 H new ATOM 0 HG3 ARG B 48 12.474 5.371 13.228 1.00 0.00 H new ATOM 0 HD2 ARG B 48 13.434 3.870 15.146 1.00 0.00 H new ATOM 0 HD3 ARG B 48 11.956 4.770 15.421 1.00 0.00 H new ATOM 0 HE ARG B 48 10.743 2.777 15.544 1.00 0.00 H new ATOM 0 HH11 ARG B 48 14.014 2.125 14.326 1.00 0.00 H new ATOM 0 HH12 ARG B 48 13.824 0.373 14.451 1.00 0.00 H new ATOM 0 HH21 ARG B 48 10.528 0.538 15.694 1.00 0.00 H new ATOM 0 HH22 ARG B 48 11.862 -0.519 15.221 1.00 0.00 H new ATOM 2369 N GLY B 49 8.806 3.674 10.475 1.00 0.00 N ATOM 2370 CA GLY B 49 8.275 3.008 9.299 1.00 0.00 C ATOM 2371 C GLY B 49 7.956 3.970 8.167 1.00 0.00 C ATOM 2372 O GLY B 49 8.026 3.598 6.998 1.00 0.00 O ATOM 0 H GLY B 49 8.185 3.664 11.284 1.00 0.00 H new ATOM 0 HA2 GLY B 49 8.997 2.270 8.949 1.00 0.00 H new ATOM 0 HA3 GLY B 49 7.371 2.465 9.573 1.00 0.00 H new ATOM 2376 N ALA B 50 7.617 5.212 8.510 1.00 0.00 N ATOM 2377 CA ALA B 50 7.297 6.227 7.510 1.00 0.00 C ATOM 2378 C ALA B 50 8.560 6.722 6.816 1.00 0.00 C ATOM 2379 O ALA B 50 8.587 6.880 5.596 1.00 0.00 O ATOM 2380 CB ALA B 50 6.557 7.390 8.152 1.00 0.00 C ATOM 0 H ALA B 50 7.557 5.539 9.474 1.00 0.00 H new ATOM 0 HA ALA B 50 6.650 5.772 6.759 1.00 0.00 H new ATOM 0 HB1 ALA B 50 6.326 8.138 7.393 1.00 0.00 H new ATOM 0 HB2 ALA B 50 5.631 7.029 8.600 1.00 0.00 H new ATOM 0 HB3 ALA B 50 7.183 7.838 8.924 1.00 0.00 H new ATOM 2386 N VAL B 51 9.606 6.955 7.604 1.00 0.00 N ATOM 2387 CA VAL B 51 10.889 7.399 7.071 1.00 0.00 C ATOM 2388 C VAL B 51 11.510 6.318 6.182 1.00 0.00 C ATOM 2389 O VAL B 51 11.991 6.611 5.089 1.00 0.00 O ATOM 2390 CB VAL B 51 11.863 7.788 8.209 1.00 0.00 C ATOM 2391 CG1 VAL B 51 13.258 8.106 7.678 1.00 0.00 C ATOM 2392 CG2 VAL B 51 11.310 8.977 8.973 1.00 0.00 C ATOM 0 H VAL B 51 9.589 6.843 8.618 1.00 0.00 H new ATOM 0 HA VAL B 51 10.708 8.286 6.463 1.00 0.00 H new ATOM 0 HB VAL B 51 11.955 6.933 8.879 1.00 0.00 H new ATOM 0 HG11 VAL B 51 13.911 8.374 8.508 1.00 0.00 H new ATOM 0 HG12 VAL B 51 13.661 7.231 7.167 1.00 0.00 H new ATOM 0 HG13 VAL B 51 13.200 8.940 6.978 1.00 0.00 H new ATOM 0 HG21 VAL B 51 11.999 9.248 9.773 1.00 0.00 H new ATOM 0 HG22 VAL B 51 11.192 9.822 8.295 1.00 0.00 H new ATOM 0 HG23 VAL B 51 10.342 8.716 9.400 1.00 0.00 H new ATOM 2402 N SER B 52 11.454 5.065 6.641 1.00 0.00 N ATOM 2403 CA SER B 52 11.992 3.938 5.885 1.00 0.00 C ATOM 2404 C SER B 52 11.211 3.706 4.586 1.00 0.00 C ATOM 2405 O SER B 52 11.769 3.234 3.592 1.00 0.00 O ATOM 2406 CB SER B 52 11.962 2.674 6.746 1.00 0.00 C ATOM 2407 OG SER B 52 12.645 2.872 7.975 1.00 0.00 O ATOM 0 H SER B 52 11.039 4.808 7.537 1.00 0.00 H new ATOM 0 HA SER B 52 13.022 4.174 5.617 1.00 0.00 H new ATOM 0 HB2 SER B 52 10.928 2.390 6.943 1.00 0.00 H new ATOM 0 HB3 SER B 52 12.421 1.849 6.201 1.00 0.00 H new ATOM 0 HG SER B 52 12.065 3.359 8.597 1.00 0.00 H new ATOM 2413 N GLN B 53 9.923 4.047 4.601 1.00 0.00 N ATOM 2414 CA GLN B 53 9.075 3.913 3.421 1.00 0.00 C ATOM 2415 C GLN B 53 9.468 4.922 2.346 1.00 0.00 C ATOM 2416 O GLN B 53 9.384 4.628 1.158 1.00 0.00 O ATOM 2417 CB GLN B 53 7.603 4.102 3.792 1.00 0.00 C ATOM 2418 CG GLN B 53 6.675 3.099 3.128 1.00 0.00 C ATOM 2419 CD GLN B 53 6.817 1.700 3.696 1.00 0.00 C ATOM 2420 OE1 GLN B 53 7.051 0.739 2.963 1.00 0.00 O ATOM 2421 NE2 GLN B 53 6.691 1.578 5.006 1.00 0.00 N ATOM 0 H GLN B 53 9.444 4.419 5.421 1.00 0.00 H new ATOM 0 HA GLN B 53 9.217 2.908 3.024 1.00 0.00 H new ATOM 0 HB2 GLN B 53 7.496 4.022 4.874 1.00 0.00 H new ATOM 0 HB3 GLN B 53 7.294 5.110 3.515 1.00 0.00 H new ATOM 0 HG2 GLN B 53 5.644 3.431 3.247 1.00 0.00 H new ATOM 0 HG3 GLN B 53 6.881 3.074 2.058 1.00 0.00 H new ATOM 0 HE21 GLN B 53 6.497 2.400 5.578 1.00 0.00 H new ATOM 0 HE22 GLN B 53 6.788 0.662 5.445 1.00 0.00 H new ATOM 2430 N ALA B 54 9.906 6.104 2.774 1.00 0.00 N ATOM 2431 CA ALA B 54 10.334 7.151 1.853 1.00 0.00 C ATOM 2432 C ALA B 54 11.614 6.756 1.135 1.00 0.00 C ATOM 2433 O ALA B 54 11.762 7.002 -0.062 1.00 0.00 O ATOM 2434 CB ALA B 54 10.524 8.462 2.596 1.00 0.00 C ATOM 0 H ALA B 54 9.973 6.360 3.759 1.00 0.00 H new ATOM 0 HA ALA B 54 9.554 7.284 1.103 1.00 0.00 H new ATOM 0 HB1 ALA B 54 10.843 9.234 1.896 1.00 0.00 H new ATOM 0 HB2 ALA B 54 9.582 8.758 3.058 1.00 0.00 H new ATOM 0 HB3 ALA B 54 11.283 8.336 3.368 1.00 0.00 H new ATOM 2440 N VAL B 55 12.529 6.131 1.873 1.00 0.00 N ATOM 2441 CA VAL B 55 13.760 5.612 1.287 1.00 0.00 C ATOM 2442 C VAL B 55 13.432 4.529 0.262 1.00 0.00 C ATOM 2443 O VAL B 55 13.902 4.567 -0.871 1.00 0.00 O ATOM 2444 CB VAL B 55 14.707 5.000 2.351 1.00 0.00 C ATOM 2445 CG1 VAL B 55 16.131 4.915 1.824 1.00 0.00 C ATOM 2446 CG2 VAL B 55 14.671 5.790 3.647 1.00 0.00 C ATOM 0 H VAL B 55 12.440 5.972 2.877 1.00 0.00 H new ATOM 0 HA VAL B 55 14.265 6.456 0.817 1.00 0.00 H new ATOM 0 HB VAL B 55 14.353 3.991 2.561 1.00 0.00 H new ATOM 0 HG11 VAL B 55 16.777 4.482 2.588 1.00 0.00 H new ATOM 0 HG12 VAL B 55 16.152 4.287 0.933 1.00 0.00 H new ATOM 0 HG13 VAL B 55 16.486 5.914 1.572 1.00 0.00 H new ATOM 0 HG21 VAL B 55 15.346 5.333 4.370 1.00 0.00 H new ATOM 0 HG22 VAL B 55 14.984 6.817 3.456 1.00 0.00 H new ATOM 0 HG23 VAL B 55 13.657 5.788 4.046 1.00 0.00 H new ATOM 2456 N HIS B 56 12.590 3.585 0.677 1.00 0.00 N ATOM 2457 CA HIS B 56 12.240 2.428 -0.142 1.00 0.00 C ATOM 2458 C HIS B 56 11.481 2.822 -1.407 1.00 0.00 C ATOM 2459 O HIS B 56 11.772 2.315 -2.479 1.00 0.00 O ATOM 2460 CB HIS B 56 11.402 1.439 0.672 1.00 0.00 C ATOM 2461 CG HIS B 56 11.640 0.006 0.307 1.00 0.00 C ATOM 2462 ND1 HIS B 56 10.635 -0.845 -0.100 1.00 0.00 N ATOM 2463 CD2 HIS B 56 12.779 -0.724 0.292 1.00 0.00 C ATOM 2464 CE1 HIS B 56 11.147 -2.037 -0.349 1.00 0.00 C ATOM 2465 NE2 HIS B 56 12.444 -1.988 -0.116 1.00 0.00 N ATOM 0 H HIS B 56 12.132 3.601 1.588 1.00 0.00 H new ATOM 0 HA HIS B 56 13.175 1.958 -0.449 1.00 0.00 H new ATOM 0 HB2 HIS B 56 11.621 1.576 1.731 1.00 0.00 H new ATOM 0 HB3 HIS B 56 10.346 1.670 0.532 1.00 0.00 H new ATOM 0 HD2 HIS B 56 13.767 -0.375 0.553 1.00 0.00 H new ATOM 0 HE1 HIS B 56 10.597 -2.904 -0.686 1.00 0.00 H new ATOM 0 HE2 HIS B 56 13.094 -2.767 -0.223 1.00 0.00 H new ATOM 2474 N ARG B 57 10.517 3.724 -1.274 1.00 0.00 N ATOM 2475 CA ARG B 57 9.645 4.096 -2.387 1.00 0.00 C ATOM 2476 C ARG B 57 10.403 4.822 -3.487 1.00 0.00 C ATOM 2477 O ARG B 57 10.284 4.478 -4.662 1.00 0.00 O ATOM 2478 CB ARG B 57 8.498 4.975 -1.894 1.00 0.00 C ATOM 2479 CG ARG B 57 7.203 4.212 -1.715 1.00 0.00 C ATOM 2480 CD ARG B 57 6.677 3.698 -3.046 1.00 0.00 C ATOM 2481 NE ARG B 57 6.363 2.269 -3.003 1.00 0.00 N ATOM 2482 CZ ARG B 57 6.925 1.350 -3.795 1.00 0.00 C ATOM 2483 NH1 ARG B 57 7.845 1.697 -4.691 1.00 0.00 N ATOM 2484 NH2 ARG B 57 6.559 0.078 -3.692 1.00 0.00 N ATOM 0 H ARG B 57 10.317 4.215 -0.403 1.00 0.00 H new ATOM 0 HA ARG B 57 9.247 3.171 -2.805 1.00 0.00 H new ATOM 0 HB2 ARG B 57 8.779 5.431 -0.945 1.00 0.00 H new ATOM 0 HB3 ARG B 57 8.340 5.788 -2.603 1.00 0.00 H new ATOM 0 HG2 ARG B 57 7.363 3.374 -1.036 1.00 0.00 H new ATOM 0 HG3 ARG B 57 6.458 4.859 -1.252 1.00 0.00 H new ATOM 0 HD2 ARG B 57 5.782 4.257 -3.321 1.00 0.00 H new ATOM 0 HD3 ARG B 57 7.419 3.882 -3.823 1.00 0.00 H new ATOM 0 HE ARG B 57 5.670 1.954 -2.324 1.00 0.00 H new ATOM 0 HH11 ARG B 57 8.129 2.673 -4.779 1.00 0.00 H new ATOM 0 HH12 ARG B 57 8.267 0.987 -5.290 1.00 0.00 H new ATOM 0 HH21 ARG B 57 5.851 -0.195 -3.010 1.00 0.00 H new ATOM 0 HH22 ARG B 57 6.986 -0.626 -4.295 1.00 0.00 H new ATOM 2498 N VAL B 58 11.179 5.819 -3.094 1.00 0.00 N ATOM 2499 CA VAL B 58 11.899 6.652 -4.051 1.00 0.00 C ATOM 2500 C VAL B 58 13.070 5.892 -4.679 1.00 0.00 C ATOM 2501 O VAL B 58 13.264 5.943 -5.895 1.00 0.00 O ATOM 2502 CB VAL B 58 12.396 7.960 -3.392 1.00 0.00 C ATOM 2503 CG1 VAL B 58 13.239 8.785 -4.358 1.00 0.00 C ATOM 2504 CG2 VAL B 58 11.209 8.774 -2.899 1.00 0.00 C ATOM 0 H VAL B 58 11.328 6.074 -2.118 1.00 0.00 H new ATOM 0 HA VAL B 58 11.199 6.914 -4.844 1.00 0.00 H new ATOM 0 HB VAL B 58 13.028 7.695 -2.545 1.00 0.00 H new ATOM 0 HG11 VAL B 58 13.572 9.697 -3.863 1.00 0.00 H new ATOM 0 HG12 VAL B 58 14.107 8.204 -4.671 1.00 0.00 H new ATOM 0 HG13 VAL B 58 12.642 9.044 -5.232 1.00 0.00 H new ATOM 0 HG21 VAL B 58 11.566 9.694 -2.436 1.00 0.00 H new ATOM 0 HG22 VAL B 58 10.561 9.019 -3.741 1.00 0.00 H new ATOM 0 HG23 VAL B 58 10.648 8.193 -2.167 1.00 0.00 H new ATOM 2514 N TRP B 59 13.826 5.161 -3.860 1.00 0.00 N ATOM 2515 CA TRP B 59 14.981 4.413 -4.364 1.00 0.00 C ATOM 2516 C TRP B 59 14.544 3.304 -5.322 1.00 0.00 C ATOM 2517 O TRP B 59 15.150 3.120 -6.376 1.00 0.00 O ATOM 2518 CB TRP B 59 15.805 3.824 -3.213 1.00 0.00 C ATOM 2519 CG TRP B 59 17.157 3.332 -3.641 1.00 0.00 C ATOM 2520 CD1 TRP B 59 17.558 2.034 -3.740 1.00 0.00 C ATOM 2521 CD2 TRP B 59 18.283 4.128 -4.027 1.00 0.00 C ATOM 2522 NE1 TRP B 59 18.861 1.971 -4.171 1.00 0.00 N ATOM 2523 CE2 TRP B 59 19.327 3.243 -4.355 1.00 0.00 C ATOM 2524 CE3 TRP B 59 18.509 5.504 -4.134 1.00 0.00 C ATOM 2525 CZ2 TRP B 59 20.576 3.688 -4.779 1.00 0.00 C ATOM 2526 CZ3 TRP B 59 19.749 5.942 -4.555 1.00 0.00 C ATOM 2527 CH2 TRP B 59 20.768 5.037 -4.875 1.00 0.00 C ATOM 0 H TRP B 59 13.664 5.070 -2.857 1.00 0.00 H new ATOM 0 HA TRP B 59 15.609 5.115 -4.912 1.00 0.00 H new ATOM 0 HB2 TRP B 59 15.930 4.582 -2.440 1.00 0.00 H new ATOM 0 HB3 TRP B 59 15.251 2.999 -2.764 1.00 0.00 H new ATOM 0 HD1 TRP B 59 16.941 1.178 -3.512 1.00 0.00 H new ATOM 0 HE1 TRP B 59 19.393 1.115 -4.328 1.00 0.00 H new ATOM 0 HE3 TRP B 59 17.729 6.210 -3.892 1.00 0.00 H new ATOM 0 HZ2 TRP B 59 21.365 2.992 -5.023 1.00 0.00 H new ATOM 0 HZ3 TRP B 59 19.936 7.002 -4.639 1.00 0.00 H new ATOM 0 HH2 TRP B 59 21.725 5.413 -5.204 1.00 0.00 H new ATOM 2538 N ALA B 60 13.475 2.592 -4.964 1.00 0.00 N ATOM 2539 CA ALA B 60 12.943 1.509 -5.793 1.00 0.00 C ATOM 2540 C ALA B 60 12.434 2.021 -7.138 1.00 0.00 C ATOM 2541 O ALA B 60 12.420 1.281 -8.114 1.00 0.00 O ATOM 2542 CB ALA B 60 11.839 0.756 -5.072 1.00 0.00 C ATOM 0 H ALA B 60 12.957 2.747 -4.099 1.00 0.00 H new ATOM 0 HA ALA B 60 13.769 0.823 -5.983 1.00 0.00 H new ATOM 0 HB1 ALA B 60 11.464 -0.042 -5.713 1.00 0.00 H new ATOM 0 HB2 ALA B 60 12.233 0.327 -4.151 1.00 0.00 H new ATOM 0 HB3 ALA B 60 11.026 1.442 -4.834 1.00 0.00 H new ATOM 2548 N ALA B 61 11.981 3.272 -7.173 1.00 0.00 N ATOM 2549 CA ALA B 61 11.526 3.892 -8.414 1.00 0.00 C ATOM 2550 C ALA B 61 12.677 4.048 -9.403 1.00 0.00 C ATOM 2551 O ALA B 61 12.527 3.757 -10.590 1.00 0.00 O ATOM 2552 CB ALA B 61 10.893 5.235 -8.127 1.00 0.00 C ATOM 0 H ALA B 61 11.919 3.877 -6.354 1.00 0.00 H new ATOM 0 HA ALA B 61 10.779 3.239 -8.866 1.00 0.00 H new ATOM 0 HB1 ALA B 61 10.558 5.686 -9.061 1.00 0.00 H new ATOM 0 HB2 ALA B 61 10.040 5.100 -7.463 1.00 0.00 H new ATOM 0 HB3 ALA B 61 11.624 5.888 -7.650 1.00 0.00 H new ATOM 2558 N PHE B 62 13.828 4.497 -8.904 1.00 0.00 N ATOM 2559 CA PHE B 62 15.031 4.593 -9.728 1.00 0.00 C ATOM 2560 C PHE B 62 15.539 3.194 -10.086 1.00 0.00 C ATOM 2561 O PHE B 62 16.041 2.960 -11.188 1.00 0.00 O ATOM 2562 CB PHE B 62 16.128 5.387 -9.004 1.00 0.00 C ATOM 2563 CG PHE B 62 17.316 5.684 -9.878 1.00 0.00 C ATOM 2564 CD1 PHE B 62 17.198 6.535 -10.966 1.00 0.00 C ATOM 2565 CD2 PHE B 62 18.547 5.101 -9.618 1.00 0.00 C ATOM 2566 CE1 PHE B 62 18.285 6.797 -11.777 1.00 0.00 C ATOM 2567 CE2 PHE B 62 19.636 5.363 -10.425 1.00 0.00 C ATOM 2568 CZ PHE B 62 19.506 6.211 -11.505 1.00 0.00 C ATOM 0 H PHE B 62 13.952 4.799 -7.938 1.00 0.00 H new ATOM 0 HA PHE B 62 14.776 5.123 -10.646 1.00 0.00 H new ATOM 0 HB2 PHE B 62 15.709 6.325 -8.640 1.00 0.00 H new ATOM 0 HB3 PHE B 62 16.459 4.825 -8.130 1.00 0.00 H new ATOM 0 HD1 PHE B 62 16.246 6.998 -11.182 1.00 0.00 H new ATOM 0 HD2 PHE B 62 18.655 4.435 -8.775 1.00 0.00 H new ATOM 0 HE1 PHE B 62 18.180 7.460 -12.623 1.00 0.00 H new ATOM 0 HE2 PHE B 62 20.590 4.904 -10.211 1.00 0.00 H new ATOM 0 HZ PHE B 62 20.357 6.417 -12.137 1.00 0.00 H new ATOM 2578 N GLU B 63 15.384 2.266 -9.145 1.00 0.00 N ATOM 2579 CA GLU B 63 15.784 0.877 -9.340 1.00 0.00 C ATOM 2580 C GLU B 63 14.910 0.181 -10.382 1.00 0.00 C ATOM 2581 O GLU B 63 15.361 -0.728 -11.061 1.00 0.00 O ATOM 2582 CB GLU B 63 15.713 0.115 -8.018 1.00 0.00 C ATOM 2583 CG GLU B 63 16.828 0.472 -7.053 1.00 0.00 C ATOM 2584 CD GLU B 63 17.041 -0.576 -5.980 1.00 0.00 C ATOM 2585 OE1 GLU B 63 16.046 -1.110 -5.449 1.00 0.00 O ATOM 2586 OE2 GLU B 63 18.213 -0.853 -5.649 1.00 0.00 O ATOM 0 H GLU B 63 14.979 2.456 -8.229 1.00 0.00 H new ATOM 0 HA GLU B 63 16.811 0.879 -9.705 1.00 0.00 H new ATOM 0 HB2 GLU B 63 14.753 0.317 -7.542 1.00 0.00 H new ATOM 0 HB3 GLU B 63 15.749 -0.955 -8.222 1.00 0.00 H new ATOM 0 HG2 GLU B 63 17.755 0.606 -7.611 1.00 0.00 H new ATOM 0 HG3 GLU B 63 16.600 1.427 -6.580 1.00 0.00 H new ATOM 2593 N ASP B 64 13.664 0.625 -10.516 1.00 0.00 N ATOM 2594 CA ASP B 64 12.718 0.030 -11.467 1.00 0.00 C ATOM 2595 C ASP B 64 13.173 0.242 -12.910 1.00 0.00 C ATOM 2596 O ASP B 64 12.793 -0.504 -13.813 1.00 0.00 O ATOM 2597 CB ASP B 64 11.321 0.629 -11.275 1.00 0.00 C ATOM 2598 CG ASP B 64 10.213 -0.388 -11.473 1.00 0.00 C ATOM 2599 OD1 ASP B 64 9.764 -0.575 -12.624 1.00 0.00 O ATOM 2600 OD2 ASP B 64 9.777 -0.998 -10.473 1.00 0.00 O ATOM 0 H ASP B 64 13.280 1.400 -9.976 1.00 0.00 H new ATOM 0 HA ASP B 64 12.683 -1.042 -11.271 1.00 0.00 H new ATOM 0 HB2 ASP B 64 11.246 1.051 -10.273 1.00 0.00 H new ATOM 0 HB3 ASP B 64 11.183 1.451 -11.978 1.00 0.00 H new ATOM 2717 N ALA B 72 10.354 -10.477 -2.961 1.00 0.00 N ATOM 2718 CA ALA B 72 8.977 -10.698 -3.351 1.00 0.00 C ATOM 2719 C ALA B 72 8.083 -10.899 -2.135 1.00 0.00 C ATOM 2720 O ALA B 72 8.351 -11.740 -1.275 1.00 0.00 O ATOM 2721 CB ALA B 72 8.884 -11.889 -4.294 1.00 0.00 C ATOM 0 HA ALA B 72 8.624 -9.809 -3.874 1.00 0.00 H new ATOM 0 HB1 ALA B 72 7.844 -12.046 -4.581 1.00 0.00 H new ATOM 0 HB2 ALA B 72 9.481 -11.695 -5.185 1.00 0.00 H new ATOM 0 HB3 ALA B 72 9.260 -12.781 -3.792 1.00 0.00 H new ATOM 2727 N ARG B 73 7.039 -10.093 -2.063 1.00 0.00 N ATOM 2728 CA ARG B 73 6.014 -10.235 -1.045 1.00 0.00 C ATOM 2729 C ARG B 73 4.671 -10.417 -1.732 1.00 0.00 C ATOM 2730 O ARG B 73 4.135 -9.476 -2.325 1.00 0.00 O ATOM 2731 CB ARG B 73 5.979 -9.005 -0.129 1.00 0.00 C ATOM 2732 CG ARG B 73 7.240 -8.821 0.702 1.00 0.00 C ATOM 2733 CD ARG B 73 7.657 -7.360 0.760 1.00 0.00 C ATOM 2734 NE ARG B 73 7.440 -6.785 2.089 1.00 0.00 N ATOM 2735 CZ ARG B 73 8.382 -6.172 2.811 1.00 0.00 C ATOM 2736 NH1 ARG B 73 9.594 -5.962 2.302 1.00 0.00 N ATOM 2737 NH2 ARG B 73 8.094 -5.742 4.036 1.00 0.00 N ATOM 0 H ARG B 73 6.878 -9.321 -2.710 1.00 0.00 H new ATOM 0 HA ARG B 73 6.237 -11.104 -0.425 1.00 0.00 H new ATOM 0 HB2 ARG B 73 5.824 -8.115 -0.738 1.00 0.00 H new ATOM 0 HB3 ARG B 73 5.123 -9.087 0.541 1.00 0.00 H new ATOM 0 HG2 ARG B 73 7.069 -9.193 1.712 1.00 0.00 H new ATOM 0 HG3 ARG B 73 8.048 -9.415 0.276 1.00 0.00 H new ATOM 0 HD2 ARG B 73 8.710 -7.272 0.493 1.00 0.00 H new ATOM 0 HD3 ARG B 73 7.092 -6.791 0.021 1.00 0.00 H new ATOM 0 HE ARG B 73 6.505 -6.857 2.491 1.00 0.00 H new ATOM 0 HH11 ARG B 73 9.809 -6.270 1.354 1.00 0.00 H new ATOM 0 HH12 ARG B 73 10.307 -5.493 2.860 1.00 0.00 H new ATOM 0 HH21 ARG B 73 7.159 -5.881 4.419 1.00 0.00 H new ATOM 0 HH22 ARG B 73 8.808 -5.273 4.593 1.00 0.00 H new ATOM 2751 N VAL B 74 4.130 -11.622 -1.663 1.00 0.00 N ATOM 2752 CA VAL B 74 2.922 -11.937 -2.407 1.00 0.00 C ATOM 2753 C VAL B 74 1.671 -11.522 -1.630 1.00 0.00 C ATOM 2754 O VAL B 74 1.489 -11.868 -0.459 1.00 0.00 O ATOM 2755 CB VAL B 74 2.853 -13.437 -2.808 1.00 0.00 C ATOM 2756 CG1 VAL B 74 4.010 -13.794 -3.729 1.00 0.00 C ATOM 2757 CG2 VAL B 74 2.846 -14.354 -1.590 1.00 0.00 C ATOM 0 H VAL B 74 4.503 -12.391 -1.106 1.00 0.00 H new ATOM 0 HA VAL B 74 2.959 -11.359 -3.330 1.00 0.00 H new ATOM 0 HB VAL B 74 1.913 -13.589 -3.338 1.00 0.00 H new ATOM 0 HG11 VAL B 74 3.947 -14.848 -4.001 1.00 0.00 H new ATOM 0 HG12 VAL B 74 3.959 -13.183 -4.630 1.00 0.00 H new ATOM 0 HG13 VAL B 74 4.954 -13.607 -3.217 1.00 0.00 H new ATOM 0 HG21 VAL B 74 2.797 -15.393 -1.917 1.00 0.00 H new ATOM 0 HG22 VAL B 74 3.757 -14.198 -1.012 1.00 0.00 H new ATOM 0 HG23 VAL B 74 1.979 -14.128 -0.969 1.00 0.00 H new ATOM 2767 N THR B 75 0.843 -10.721 -2.284 1.00 0.00 N ATOM 2768 CA THR B 75 -0.410 -10.269 -1.708 1.00 0.00 C ATOM 2769 C THR B 75 -1.573 -10.719 -2.580 1.00 0.00 C ATOM 2770 O THR B 75 -1.695 -10.306 -3.738 1.00 0.00 O ATOM 2771 CB THR B 75 -0.442 -8.734 -1.560 1.00 0.00 C ATOM 2772 OG1 THR B 75 0.893 -8.235 -1.390 1.00 0.00 O ATOM 2773 CG2 THR B 75 -1.301 -8.324 -0.373 1.00 0.00 C ATOM 0 H THR B 75 1.021 -10.369 -3.224 1.00 0.00 H new ATOM 0 HA THR B 75 -0.499 -10.710 -0.715 1.00 0.00 H new ATOM 0 HB THR B 75 -0.877 -8.308 -2.464 1.00 0.00 H new ATOM 0 HG1 THR B 75 0.868 -7.260 -1.298 1.00 0.00 H new ATOM 0 HG21 THR B 75 -1.309 -7.237 -0.288 1.00 0.00 H new ATOM 0 HG22 THR B 75 -2.319 -8.684 -0.519 1.00 0.00 H new ATOM 0 HG23 THR B 75 -0.891 -8.756 0.540 1.00 0.00 H new ATOM 2781 N ALA B 76 -2.414 -11.575 -2.031 1.00 0.00 N ATOM 2782 CA ALA B 76 -3.531 -12.122 -2.777 1.00 0.00 C ATOM 2783 C ALA B 76 -4.770 -12.197 -1.906 1.00 0.00 C ATOM 2784 O ALA B 76 -4.687 -12.066 -0.683 1.00 0.00 O ATOM 2785 CB ALA B 76 -3.179 -13.498 -3.316 1.00 0.00 C ATOM 0 H ALA B 76 -2.344 -11.907 -1.069 1.00 0.00 H new ATOM 0 HA ALA B 76 -3.743 -11.460 -3.617 1.00 0.00 H new ATOM 0 HB1 ALA B 76 -4.026 -13.898 -3.874 1.00 0.00 H new ATOM 0 HB2 ALA B 76 -2.314 -13.420 -3.975 1.00 0.00 H new ATOM 0 HB3 ALA B 76 -2.944 -14.165 -2.486 1.00 0.00 H new ATOM 2791 N VAL B 77 -5.912 -12.404 -2.541 1.00 0.00 N ATOM 2792 CA VAL B 77 -7.165 -12.568 -1.827 1.00 0.00 C ATOM 2793 C VAL B 77 -7.244 -13.980 -1.261 1.00 0.00 C ATOM 2794 O VAL B 77 -7.312 -14.953 -2.007 1.00 0.00 O ATOM 2795 CB VAL B 77 -8.385 -12.298 -2.745 1.00 0.00 C ATOM 2796 CG1 VAL B 77 -9.692 -12.394 -1.968 1.00 0.00 C ATOM 2797 CG2 VAL B 77 -8.265 -10.935 -3.412 1.00 0.00 C ATOM 0 H VAL B 77 -5.996 -12.462 -3.556 1.00 0.00 H new ATOM 0 HA VAL B 77 -7.193 -11.840 -1.016 1.00 0.00 H new ATOM 0 HB VAL B 77 -8.394 -13.065 -3.519 1.00 0.00 H new ATOM 0 HG11 VAL B 77 -10.529 -12.200 -2.639 1.00 0.00 H new ATOM 0 HG12 VAL B 77 -9.791 -13.393 -1.544 1.00 0.00 H new ATOM 0 HG13 VAL B 77 -9.693 -11.658 -1.164 1.00 0.00 H new ATOM 0 HG21 VAL B 77 -9.131 -10.765 -4.052 1.00 0.00 H new ATOM 0 HG22 VAL B 77 -8.221 -10.159 -2.648 1.00 0.00 H new ATOM 0 HG23 VAL B 77 -7.357 -10.903 -4.015 1.00 0.00 H new ATOM 2807 N LEU B 78 -7.196 -14.067 0.060 1.00 0.00 N ATOM 2808 CA LEU B 78 -7.248 -15.332 0.783 1.00 0.00 C ATOM 2809 C LEU B 78 -7.919 -15.080 2.132 1.00 0.00 C ATOM 2810 O LEU B 78 -7.751 -14.003 2.706 1.00 0.00 O ATOM 2811 CB LEU B 78 -5.828 -15.889 1.004 1.00 0.00 C ATOM 2812 CG LEU B 78 -5.366 -17.048 0.093 1.00 0.00 C ATOM 2813 CD1 LEU B 78 -6.537 -17.843 -0.468 1.00 0.00 C ATOM 2814 CD2 LEU B 78 -4.489 -16.526 -1.035 1.00 0.00 C ATOM 0 H LEU B 78 -7.119 -13.252 0.669 1.00 0.00 H new ATOM 0 HA LEU B 78 -7.812 -16.064 0.205 1.00 0.00 H new ATOM 0 HB2 LEU B 78 -5.122 -15.067 0.886 1.00 0.00 H new ATOM 0 HB3 LEU B 78 -5.756 -16.225 2.038 1.00 0.00 H new ATOM 0 HG LEU B 78 -4.781 -17.728 0.712 1.00 0.00 H new ATOM 0 HD11 LEU B 78 -6.161 -18.646 -1.102 1.00 0.00 H new ATOM 0 HD12 LEU B 78 -7.114 -18.268 0.353 1.00 0.00 H new ATOM 0 HD13 LEU B 78 -7.175 -17.184 -1.057 1.00 0.00 H new ATOM 0 HD21 LEU B 78 -4.174 -17.357 -1.665 1.00 0.00 H new ATOM 0 HD22 LEU B 78 -5.053 -15.811 -1.633 1.00 0.00 H new ATOM 0 HD23 LEU B 78 -3.611 -16.035 -0.616 1.00 0.00 H new ATOM 2826 N PRO B 79 -8.701 -16.044 2.656 1.00 0.00 N ATOM 2827 CA PRO B 79 -9.383 -15.883 3.944 1.00 0.00 C ATOM 2828 C PRO B 79 -8.417 -15.885 5.131 1.00 0.00 C ATOM 2829 O PRO B 79 -7.233 -16.202 4.990 1.00 0.00 O ATOM 2830 CB PRO B 79 -10.315 -17.096 4.012 1.00 0.00 C ATOM 2831 CG PRO B 79 -9.685 -18.116 3.131 1.00 0.00 C ATOM 2832 CD PRO B 79 -8.999 -17.349 2.034 1.00 0.00 C ATOM 0 HA PRO B 79 -9.900 -14.925 4.006 1.00 0.00 H new ATOM 0 HB2 PRO B 79 -10.411 -17.463 5.034 1.00 0.00 H new ATOM 0 HB3 PRO B 79 -11.318 -16.843 3.668 1.00 0.00 H new ATOM 0 HG2 PRO B 79 -8.972 -18.725 3.687 1.00 0.00 H new ATOM 0 HG3 PRO B 79 -10.434 -18.795 2.723 1.00 0.00 H new ATOM 0 HD2 PRO B 79 -8.091 -17.851 1.701 1.00 0.00 H new ATOM 0 HD3 PRO B 79 -9.641 -17.239 1.160 1.00 0.00 H new ATOM 2840 N GLU B 80 -8.946 -15.556 6.307 1.00 0.00 N ATOM 2841 CA GLU B 80 -8.153 -15.499 7.540 1.00 0.00 C ATOM 2842 C GLU B 80 -7.696 -16.896 7.969 1.00 0.00 C ATOM 2843 O GLU B 80 -6.748 -17.042 8.742 1.00 0.00 O ATOM 2844 CB GLU B 80 -8.963 -14.843 8.671 1.00 0.00 C ATOM 2845 CG GLU B 80 -10.478 -14.984 8.528 1.00 0.00 C ATOM 2846 CD GLU B 80 -10.956 -16.414 8.694 1.00 0.00 C ATOM 2847 OE1 GLU B 80 -11.005 -16.900 9.839 1.00 0.00 O ATOM 2848 OE2 GLU B 80 -11.257 -17.067 7.671 1.00 0.00 O ATOM 0 H GLU B 80 -9.930 -15.322 6.436 1.00 0.00 H new ATOM 0 HA GLU B 80 -7.268 -14.895 7.338 1.00 0.00 H new ATOM 0 HB2 GLU B 80 -8.658 -15.281 9.621 1.00 0.00 H new ATOM 0 HB3 GLU B 80 -8.712 -13.783 8.714 1.00 0.00 H new ATOM 0 HG2 GLU B 80 -10.968 -14.354 9.270 1.00 0.00 H new ATOM 0 HG3 GLU B 80 -10.781 -14.616 7.548 1.00 0.00 H new ATOM 2855 N HIS B 81 -8.387 -17.915 7.463 1.00 0.00 N ATOM 2856 CA HIS B 81 -8.020 -19.306 7.699 1.00 0.00 C ATOM 2857 C HIS B 81 -6.652 -19.598 7.091 1.00 0.00 C ATOM 2858 O HIS B 81 -5.838 -20.316 7.670 1.00 0.00 O ATOM 2859 CB HIS B 81 -9.078 -20.237 7.093 1.00 0.00 C ATOM 2860 CG HIS B 81 -10.152 -20.642 8.056 1.00 0.00 C ATOM 2861 ND1 HIS B 81 -11.092 -19.764 8.552 1.00 0.00 N ATOM 2862 CD2 HIS B 81 -10.443 -21.845 8.601 1.00 0.00 C ATOM 2863 CE1 HIS B 81 -11.910 -20.408 9.359 1.00 0.00 C ATOM 2864 NE2 HIS B 81 -11.540 -21.672 9.407 1.00 0.00 N ATOM 0 H HIS B 81 -9.215 -17.798 6.879 1.00 0.00 H new ATOM 0 HA HIS B 81 -7.970 -19.481 8.774 1.00 0.00 H new ATOM 0 HB2 HIS B 81 -9.538 -19.741 6.238 1.00 0.00 H new ATOM 0 HB3 HIS B 81 -8.586 -21.133 6.715 1.00 0.00 H new ATOM 0 HD1 HIS B 81 -11.146 -18.770 8.329 1.00 0.00 H new ATOM 0 HD2 HIS B 81 -9.911 -22.770 8.433 1.00 0.00 H new ATOM 0 HE1 HIS B 81 -12.743 -19.974 9.891 1.00 0.00 H new ATOM 2873 N GLN B 82 -6.407 -19.016 5.922 1.00 0.00 N ATOM 2874 CA GLN B 82 -5.125 -19.147 5.241 1.00 0.00 C ATOM 2875 C GLN B 82 -4.045 -18.321 5.937 1.00 0.00 C ATOM 2876 O GLN B 82 -2.863 -18.656 5.876 1.00 0.00 O ATOM 2877 CB GLN B 82 -5.255 -18.720 3.777 1.00 0.00 C ATOM 2878 CG GLN B 82 -5.313 -19.887 2.802 1.00 0.00 C ATOM 2879 CD GLN B 82 -6.306 -20.955 3.223 1.00 0.00 C ATOM 2880 OE1 GLN B 82 -7.493 -20.684 3.392 1.00 0.00 O ATOM 2881 NE2 GLN B 82 -5.827 -22.177 3.398 1.00 0.00 N ATOM 0 H GLN B 82 -7.087 -18.443 5.423 1.00 0.00 H new ATOM 0 HA GLN B 82 -4.828 -20.195 5.280 1.00 0.00 H new ATOM 0 HB2 GLN B 82 -6.156 -18.117 3.662 1.00 0.00 H new ATOM 0 HB3 GLN B 82 -4.410 -18.083 3.517 1.00 0.00 H new ATOM 0 HG2 GLN B 82 -5.583 -19.516 1.813 1.00 0.00 H new ATOM 0 HG3 GLN B 82 -4.322 -20.332 2.716 1.00 0.00 H new ATOM 0 HE21 GLN B 82 -4.835 -22.362 3.248 1.00 0.00 H new ATOM 0 HE22 GLN B 82 -6.450 -22.933 3.683 1.00 0.00 H new ATOM 2890 N ALA B 83 -4.466 -17.248 6.611 1.00 0.00 N ATOM 2891 CA ALA B 83 -3.543 -16.336 7.290 1.00 0.00 C ATOM 2892 C ALA B 83 -2.809 -17.017 8.448 1.00 0.00 C ATOM 2893 O ALA B 83 -1.722 -16.583 8.840 1.00 0.00 O ATOM 2894 CB ALA B 83 -4.273 -15.097 7.777 1.00 0.00 C ATOM 0 H ALA B 83 -5.448 -16.988 6.701 1.00 0.00 H new ATOM 0 HA ALA B 83 -2.791 -16.037 6.560 1.00 0.00 H new ATOM 0 HB1 ALA B 83 -3.569 -14.433 8.278 1.00 0.00 H new ATOM 0 HB2 ALA B 83 -4.718 -14.579 6.927 1.00 0.00 H new ATOM 0 HB3 ALA B 83 -5.058 -15.388 8.476 1.00 0.00 H new ATOM 2900 N TYR B 84 -3.414 -18.081 8.986 1.00 0.00 N ATOM 2901 CA TYR B 84 -2.784 -18.912 10.016 1.00 0.00 C ATOM 2902 C TYR B 84 -1.427 -19.422 9.533 1.00 0.00 C ATOM 2903 O TYR B 84 -0.423 -19.346 10.247 1.00 0.00 O ATOM 2904 CB TYR B 84 -3.705 -20.099 10.357 1.00 0.00 C ATOM 2905 CG TYR B 84 -3.062 -21.187 11.203 1.00 0.00 C ATOM 2906 CD1 TYR B 84 -3.067 -21.100 12.587 1.00 0.00 C ATOM 2907 CD2 TYR B 84 -2.463 -22.303 10.618 1.00 0.00 C ATOM 2908 CE1 TYR B 84 -2.497 -22.086 13.368 1.00 0.00 C ATOM 2909 CE2 TYR B 84 -1.889 -23.292 11.395 1.00 0.00 C ATOM 2910 CZ TYR B 84 -1.910 -23.179 12.769 1.00 0.00 C ATOM 2911 OH TYR B 84 -1.346 -24.163 13.547 1.00 0.00 O ATOM 0 H TYR B 84 -4.350 -18.389 8.721 1.00 0.00 H new ATOM 0 HA TYR B 84 -2.627 -18.309 10.911 1.00 0.00 H new ATOM 0 HB2 TYR B 84 -4.581 -19.720 10.883 1.00 0.00 H new ATOM 0 HB3 TYR B 84 -4.059 -20.544 9.427 1.00 0.00 H new ATOM 0 HD1 TYR B 84 -3.525 -20.245 13.063 1.00 0.00 H new ATOM 0 HD2 TYR B 84 -2.447 -22.396 9.542 1.00 0.00 H new ATOM 0 HE1 TYR B 84 -2.511 -22.001 14.445 1.00 0.00 H new ATOM 0 HE2 TYR B 84 -1.426 -24.149 10.928 1.00 0.00 H new ATOM 0 HH TYR B 84 -0.976 -24.864 12.971 1.00 0.00 H new ATOM 2921 N ILE B 85 -1.408 -19.920 8.304 1.00 0.00 N ATOM 2922 CA ILE B 85 -0.202 -20.485 7.721 1.00 0.00 C ATOM 2923 C ILE B 85 0.671 -19.390 7.124 1.00 0.00 C ATOM 2924 O ILE B 85 1.888 -19.534 7.040 1.00 0.00 O ATOM 2925 CB ILE B 85 -0.522 -21.528 6.628 1.00 0.00 C ATOM 2926 CG1 ILE B 85 -1.886 -22.187 6.872 1.00 0.00 C ATOM 2927 CG2 ILE B 85 0.568 -22.582 6.592 1.00 0.00 C ATOM 2928 CD1 ILE B 85 -2.732 -22.320 5.623 1.00 0.00 C ATOM 0 H ILE B 85 -2.221 -19.943 7.689 1.00 0.00 H new ATOM 0 HA ILE B 85 0.333 -20.985 8.528 1.00 0.00 H new ATOM 0 HB ILE B 85 -0.564 -21.016 5.667 1.00 0.00 H new ATOM 0 HG12 ILE B 85 -1.729 -23.177 7.301 1.00 0.00 H new ATOM 0 HG13 ILE B 85 -2.435 -21.603 7.611 1.00 0.00 H new ATOM 0 HG21 ILE B 85 0.339 -23.316 5.820 1.00 0.00 H new ATOM 0 HG22 ILE B 85 1.525 -22.109 6.370 1.00 0.00 H new ATOM 0 HG23 ILE B 85 0.625 -23.080 7.560 1.00 0.00 H new ATOM 0 HD11 ILE B 85 -3.680 -22.794 5.875 1.00 0.00 H new ATOM 0 HD12 ILE B 85 -2.921 -21.331 5.204 1.00 0.00 H new ATOM 0 HD13 ILE B 85 -2.205 -22.930 4.890 1.00 0.00 H new ATOM 2940 N VAL B 86 0.035 -18.291 6.732 1.00 0.00 N ATOM 2941 CA VAL B 86 0.731 -17.147 6.152 1.00 0.00 C ATOM 2942 C VAL B 86 1.706 -16.535 7.166 1.00 0.00 C ATOM 2943 O VAL B 86 2.806 -16.110 6.803 1.00 0.00 O ATOM 2944 CB VAL B 86 -0.295 -16.090 5.654 1.00 0.00 C ATOM 2945 CG1 VAL B 86 0.298 -14.689 5.574 1.00 0.00 C ATOM 2946 CG2 VAL B 86 -0.860 -16.505 4.305 1.00 0.00 C ATOM 0 H VAL B 86 -0.975 -18.168 6.807 1.00 0.00 H new ATOM 0 HA VAL B 86 1.312 -17.489 5.296 1.00 0.00 H new ATOM 0 HB VAL B 86 -1.099 -16.051 6.389 1.00 0.00 H new ATOM 0 HG11 VAL B 86 -0.462 -13.992 5.221 1.00 0.00 H new ATOM 0 HG12 VAL B 86 0.641 -14.382 6.562 1.00 0.00 H new ATOM 0 HG13 VAL B 86 1.140 -14.689 4.882 1.00 0.00 H new ATOM 0 HG21 VAL B 86 -1.577 -15.758 3.966 1.00 0.00 H new ATOM 0 HG22 VAL B 86 -0.050 -16.586 3.580 1.00 0.00 H new ATOM 0 HG23 VAL B 86 -1.359 -17.470 4.401 1.00 0.00 H new ATOM 2956 N ARG B 87 1.298 -16.530 8.438 1.00 0.00 N ATOM 2957 CA ARG B 87 2.142 -16.056 9.535 1.00 0.00 C ATOM 2958 C ARG B 87 3.470 -16.816 9.566 1.00 0.00 C ATOM 2959 O ARG B 87 4.539 -16.228 9.752 1.00 0.00 O ATOM 2960 CB ARG B 87 1.400 -16.240 10.868 1.00 0.00 C ATOM 2961 CG ARG B 87 2.072 -15.571 12.059 1.00 0.00 C ATOM 2962 CD ARG B 87 2.796 -16.583 12.938 1.00 0.00 C ATOM 2963 NE ARG B 87 1.947 -17.097 14.013 1.00 0.00 N ATOM 2964 CZ ARG B 87 1.960 -16.631 15.264 1.00 0.00 C ATOM 2965 NH1 ARG B 87 2.771 -15.634 15.606 1.00 0.00 N ATOM 2966 NH2 ARG B 87 1.162 -17.166 16.178 1.00 0.00 N ATOM 0 H ARG B 87 0.377 -16.853 8.734 1.00 0.00 H new ATOM 0 HA ARG B 87 2.358 -14.999 9.380 1.00 0.00 H new ATOM 0 HB2 ARG B 87 0.390 -15.843 10.766 1.00 0.00 H new ATOM 0 HB3 ARG B 87 1.304 -17.306 11.072 1.00 0.00 H new ATOM 0 HG2 ARG B 87 2.782 -14.824 11.704 1.00 0.00 H new ATOM 0 HG3 ARG B 87 1.323 -15.044 12.651 1.00 0.00 H new ATOM 0 HD2 ARG B 87 3.141 -17.414 12.322 1.00 0.00 H new ATOM 0 HD3 ARG B 87 3.682 -16.117 13.370 1.00 0.00 H new ATOM 0 HE ARG B 87 1.305 -17.859 13.793 1.00 0.00 H new ATOM 0 HH11 ARG B 87 3.390 -15.219 14.910 1.00 0.00 H new ATOM 0 HH12 ARG B 87 2.774 -15.285 16.564 1.00 0.00 H new ATOM 0 HH21 ARG B 87 0.539 -17.933 15.925 1.00 0.00 H new ATOM 0 HH22 ARG B 87 1.171 -16.811 17.134 1.00 0.00 H new ATOM 2980 N LYS B 88 3.386 -18.121 9.361 1.00 0.00 N ATOM 2981 CA LYS B 88 4.551 -18.990 9.393 1.00 0.00 C ATOM 2982 C LYS B 88 5.361 -18.865 8.099 1.00 0.00 C ATOM 2983 O LYS B 88 6.592 -18.845 8.130 1.00 0.00 O ATOM 2984 CB LYS B 88 4.089 -20.437 9.620 1.00 0.00 C ATOM 2985 CG LYS B 88 5.129 -21.502 9.300 1.00 0.00 C ATOM 2986 CD LYS B 88 4.468 -22.840 9.008 1.00 0.00 C ATOM 2987 CE LYS B 88 4.950 -23.932 9.954 1.00 0.00 C ATOM 2988 NZ LYS B 88 5.057 -23.454 11.359 1.00 0.00 N ATOM 0 H LYS B 88 2.510 -18.607 9.168 1.00 0.00 H new ATOM 0 HA LYS B 88 5.204 -18.691 10.212 1.00 0.00 H new ATOM 0 HB2 LYS B 88 3.787 -20.547 10.662 1.00 0.00 H new ATOM 0 HB3 LYS B 88 3.204 -20.620 9.010 1.00 0.00 H new ATOM 0 HG2 LYS B 88 5.721 -21.190 8.440 1.00 0.00 H new ATOM 0 HG3 LYS B 88 5.816 -21.608 10.139 1.00 0.00 H new ATOM 0 HD2 LYS B 88 3.386 -22.737 9.094 1.00 0.00 H new ATOM 0 HD3 LYS B 88 4.679 -23.132 7.979 1.00 0.00 H new ATOM 0 HE2 LYS B 88 4.262 -24.777 9.911 1.00 0.00 H new ATOM 0 HE3 LYS B 88 5.922 -24.295 9.621 1.00 0.00 H new ATOM 0 HZ1 LYS B 88 4.850 -24.239 12.009 1.00 0.00 H new ATOM 0 HZ2 LYS B 88 6.021 -23.104 11.534 1.00 0.00 H new ATOM 0 HZ3 LYS B 88 4.375 -22.684 11.517 1.00 0.00 H new ATOM 3002 N TRP B 89 4.657 -18.746 6.973 1.00 0.00 N ATOM 3003 CA TRP B 89 5.287 -18.727 5.650 1.00 0.00 C ATOM 3004 C TRP B 89 6.109 -17.461 5.420 1.00 0.00 C ATOM 3005 O TRP B 89 7.071 -17.478 4.652 1.00 0.00 O ATOM 3006 CB TRP B 89 4.225 -18.869 4.559 1.00 0.00 C ATOM 3007 CG TRP B 89 3.796 -20.289 4.336 1.00 0.00 C ATOM 3008 CD1 TRP B 89 4.285 -21.398 4.964 1.00 0.00 C ATOM 3009 CD2 TRP B 89 2.792 -20.752 3.427 1.00 0.00 C ATOM 3010 NE1 TRP B 89 3.651 -22.522 4.501 1.00 0.00 N ATOM 3011 CE2 TRP B 89 2.728 -22.154 3.557 1.00 0.00 C ATOM 3012 CE3 TRP B 89 1.941 -20.121 2.518 1.00 0.00 C ATOM 3013 CZ2 TRP B 89 1.848 -22.931 2.810 1.00 0.00 C ATOM 3014 CZ3 TRP B 89 1.068 -20.894 1.777 1.00 0.00 C ATOM 3015 CH2 TRP B 89 1.027 -22.286 1.927 1.00 0.00 C ATOM 0 H TRP B 89 3.641 -18.661 6.950 1.00 0.00 H new ATOM 0 HA TRP B 89 5.973 -19.573 5.605 1.00 0.00 H new ATOM 0 HB2 TRP B 89 3.354 -18.271 4.828 1.00 0.00 H new ATOM 0 HB3 TRP B 89 4.615 -18.463 3.626 1.00 0.00 H new ATOM 0 HD1 TRP B 89 5.059 -21.391 5.717 1.00 0.00 H new ATOM 0 HE1 TRP B 89 3.836 -23.477 4.809 1.00 0.00 H new ATOM 0 HE3 TRP B 89 1.965 -19.048 2.396 1.00 0.00 H new ATOM 0 HZ2 TRP B 89 1.815 -24.005 2.923 1.00 0.00 H new ATOM 0 HZ3 TRP B 89 0.406 -20.417 1.070 1.00 0.00 H new ATOM 0 HH2 TRP B 89 0.333 -22.862 1.333 1.00 0.00 H new ATOM 3026 N GLU B 90 5.725 -16.376 6.094 1.00 0.00 N ATOM 3027 CA GLU B 90 6.459 -15.113 6.033 1.00 0.00 C ATOM 3028 C GLU B 90 7.917 -15.310 6.448 1.00 0.00 C ATOM 3029 O GLU B 90 8.840 -14.907 5.740 1.00 0.00 O ATOM 3030 CB GLU B 90 5.798 -14.084 6.952 1.00 0.00 C ATOM 3031 CG GLU B 90 4.940 -13.067 6.218 1.00 0.00 C ATOM 3032 CD GLU B 90 5.344 -11.634 6.510 1.00 0.00 C ATOM 3033 OE1 GLU B 90 6.472 -11.410 6.997 1.00 0.00 O ATOM 3034 OE2 GLU B 90 4.533 -10.721 6.249 1.00 0.00 O ATOM 0 H GLU B 90 4.901 -16.348 6.694 1.00 0.00 H new ATOM 0 HA GLU B 90 6.437 -14.753 5.004 1.00 0.00 H new ATOM 0 HB2 GLU B 90 5.180 -14.607 7.682 1.00 0.00 H new ATOM 0 HB3 GLU B 90 6.573 -13.557 7.509 1.00 0.00 H new ATOM 0 HG2 GLU B 90 5.009 -13.247 5.145 1.00 0.00 H new ATOM 0 HG3 GLU B 90 3.896 -13.209 6.499 1.00 0.00 H new ATOM 3041 N ALA B 91 8.106 -15.950 7.596 1.00 0.00 N ATOM 3042 CA ALA B 91 9.438 -16.215 8.125 1.00 0.00 C ATOM 3043 C ALA B 91 10.090 -17.417 7.441 1.00 0.00 C ATOM 3044 O ALA B 91 11.314 -17.545 7.434 1.00 0.00 O ATOM 3045 CB ALA B 91 9.369 -16.433 9.630 1.00 0.00 C ATOM 0 H ALA B 91 7.347 -16.297 8.182 1.00 0.00 H new ATOM 0 HA ALA B 91 10.059 -15.344 7.917 1.00 0.00 H new ATOM 0 HB1 ALA B 91 10.369 -16.630 10.015 1.00 0.00 H new ATOM 0 HB2 ALA B 91 8.965 -15.541 10.109 1.00 0.00 H new ATOM 0 HB3 ALA B 91 8.723 -17.284 9.845 1.00 0.00 H new ATOM 3051 N ASP B 92 9.270 -18.291 6.866 1.00 0.00 N ATOM 3052 CA ASP B 92 9.763 -19.532 6.271 1.00 0.00 C ATOM 3053 C ASP B 92 10.437 -19.291 4.925 1.00 0.00 C ATOM 3054 O ASP B 92 11.433 -19.938 4.604 1.00 0.00 O ATOM 3055 CB ASP B 92 8.631 -20.544 6.113 1.00 0.00 C ATOM 3056 CG ASP B 92 9.020 -21.913 6.631 1.00 0.00 C ATOM 3057 OD1 ASP B 92 9.508 -22.003 7.778 1.00 0.00 O ATOM 3058 OD2 ASP B 92 8.842 -22.907 5.899 1.00 0.00 O ATOM 0 H ASP B 92 8.260 -18.164 6.799 1.00 0.00 H new ATOM 0 HA ASP B 92 10.512 -19.937 6.952 1.00 0.00 H new ATOM 0 HB2 ASP B 92 7.750 -20.190 6.649 1.00 0.00 H new ATOM 0 HB3 ASP B 92 8.355 -20.619 5.061 1.00 0.00 H new ATOM 3063 N ALA B 93 9.904 -18.357 4.140 1.00 0.00 N ATOM 3064 CA ALA B 93 10.526 -17.991 2.872 1.00 0.00 C ATOM 3065 C ALA B 93 11.806 -17.205 3.121 1.00 0.00 C ATOM 3066 O ALA B 93 12.753 -17.276 2.338 1.00 0.00 O ATOM 3067 CB ALA B 93 9.572 -17.192 2.005 1.00 0.00 C ATOM 0 H ALA B 93 9.050 -17.844 4.358 1.00 0.00 H new ATOM 0 HA ALA B 93 10.775 -18.908 2.338 1.00 0.00 H new ATOM 0 HB1 ALA B 93 10.063 -16.933 1.067 1.00 0.00 H new ATOM 0 HB2 ALA B 93 8.683 -17.788 1.797 1.00 0.00 H new ATOM 0 HB3 ALA B 93 9.283 -16.280 2.527 1.00 0.00 H new