USER MOD reduce.3.24.130724 H: found=0, std=0, add=913, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 914 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 396 HIS : no HD1:sc= -2.78 X(o=-2.6,f=-3) USER MOD Set 1.2: A 399 LYS NZ :NH3+ 174:sc= 0.174 (180deg=-0.0138) USER MOD Set 2.1: A 334 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 435 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 332 SER OG : rot 180:sc= 0.00228 USER MOD Set 3.2: A 333 HIS : no HD1:sc= 0 X(o=0.0023,f=0.0023) USER MOD Single : A 340 TYR OH : rot 119:sc= 0.0173 USER MOD Single : A 342 TYR OH : rot 127:sc= -0.972! USER MOD Single : A 343 GLN : amide:sc= -1.45 K(o=-1.4,f=-0.45) USER MOD Single : A 346 SER OG : rot -20:sc= 0.139 USER MOD Single : A 348 SER OG : rot 180:sc= 0.113 USER MOD Single : A 350 TYR OH : rot 180:sc= 0 USER MOD Single : A 352 ASN : amide:sc= -0.269 X(o=-0.27,f=-0.2) USER MOD Single : A 359 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 361 SER OG : rot 86:sc= 1.25 USER MOD Single : A 362 LYS NZ :NH3+ 147:sc= 1.18 (180deg=-0.655!) USER MOD Single : A 370 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 378 ASN : amide:sc= -0.216 K(o=-0.22,f=-1.1!) USER MOD Single : A 379 HIS : no HD1:sc= -0.334 K(o=-0.33,f=-2.5) USER MOD Single : A 380 LYS NZ :NH3+ 180:sc= 2.47 (180deg=2.47) USER MOD Single : A 381 ASN : amide:sc= -0.229 K(o=-0.23,f=-1.2) USER MOD Single : A 383 THR OG1 : rot 180:sc= 0 USER MOD Single : A 384 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 385 MET CE :methyl 151:sc= -2.76 (180deg=-5.74!) USER MOD Single : A 386 THR OG1 : rot -170:sc= -0.952 USER MOD Single : A 387 TYR OH : rot 180:sc= 0 USER MOD Single : A 389 LYS NZ :NH3+ -176:sc= 1.2 (180deg=1.02) USER MOD Single : A 390 MET CE :methyl -116:sc= -6.18! (180deg=-6.49!) USER MOD Single : A 391 SER OG : rot 180:sc= 0 USER MOD Single : A 397 TYR OH : rot -105:sc= -2.14! USER MOD Single : A 398 TYR OH : rot -20:sc= 0.116 USER MOD Single : A 401 ASN : amide:sc= -1.81! C(o=-1.8!,f=-2!) USER MOD Single : A 405 LYS NZ :NH3+ 170:sc= 1.05 (180deg=0.803) USER MOD Single : A 409 GLN : amide:sc= -4.02! K(o=-4!,f=-1.9) USER MOD Single : A 416 MET CE :methyl 143:sc= -0.0741 (180deg=-1.14) USER MOD Single : A 417 LYS NZ :NH3+ -170:sc=-0.00348 (180deg=-0.101) USER MOD Single : A 418 THR OG1 : rot -67:sc= 1.27 USER MOD Single : A 423 MET CE :methyl -172:sc=-0.000899 (180deg=-0.113) USER MOD Single : A 424 SER OG : rot 180:sc= -0.251 USER MOD Single : A 427 THR OG1 : rot -47:sc= -0.399! USER MOD Single : A 432 HIS : no HD1:sc= -0.33 X(o=-0.33,f=0.058) USER MOD Single : A 436 GLN : amide:sc= 0 X(o=0,f=0.046) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 331 -3.590 -8.766 8.721 1.00 6.78 N ATOM 2 CA GLY A 331 -4.083 -8.104 9.953 1.00 6.11 C ATOM 3 C GLY A 331 -5.518 -8.476 10.257 1.00 5.22 C ATOM 4 O GLY A 331 -6.172 -9.140 9.453 1.00 5.14 O ATOM 0 HA2 GLY A 331 -3.449 -8.384 10.794 1.00 6.11 H new ATOM 0 HA3 GLY A 331 -4.004 -7.023 9.841 1.00 6.11 H new ATOM 10 N SER A 332 -6.010 -8.058 11.415 1.00 4.99 N ATOM 11 CA SER A 332 -7.387 -8.331 11.798 1.00 4.63 C ATOM 12 C SER A 332 -8.288 -7.160 11.422 1.00 3.82 C ATOM 13 O SER A 332 -9.473 -7.336 11.143 1.00 4.13 O ATOM 14 CB SER A 332 -7.470 -8.609 13.301 1.00 5.44 C ATOM 15 OG SER A 332 -6.802 -7.599 14.042 1.00 6.08 O ATOM 0 H SER A 332 -5.476 -7.529 12.105 1.00 4.99 H new ATOM 0 HA SER A 332 -7.731 -9.214 11.259 1.00 4.63 H new ATOM 0 HB2 SER A 332 -8.515 -8.660 13.608 1.00 5.44 H new ATOM 0 HB3 SER A 332 -7.026 -9.580 13.520 1.00 5.44 H new ATOM 0 HG SER A 332 -6.870 -7.797 14.999 1.00 6.08 H new ATOM 21 N HIS A 333 -7.714 -5.963 11.412 1.00 3.28 N ATOM 22 CA HIS A 333 -8.445 -4.772 11.007 1.00 2.94 C ATOM 23 C HIS A 333 -8.461 -4.667 9.493 1.00 2.02 C ATOM 24 O HIS A 333 -7.480 -5.007 8.830 1.00 2.49 O ATOM 25 CB HIS A 333 -7.827 -3.511 11.614 1.00 3.89 C ATOM 26 CG HIS A 333 -8.215 -3.275 13.042 1.00 4.68 C ATOM 27 ND1 HIS A 333 -8.764 -2.090 13.481 1.00 5.34 N ATOM 28 CD2 HIS A 333 -8.122 -4.071 14.132 1.00 5.35 C ATOM 29 CE1 HIS A 333 -8.991 -2.168 14.777 1.00 6.24 C ATOM 30 NE2 HIS A 333 -8.611 -3.358 15.197 1.00 6.26 N ATOM 0 H HIS A 333 -6.745 -5.793 11.680 1.00 3.28 H new ATOM 0 HA HIS A 333 -9.467 -4.857 11.375 1.00 2.94 H new ATOM 0 HB2 HIS A 333 -6.741 -3.582 11.549 1.00 3.89 H new ATOM 0 HB3 HIS A 333 -8.126 -2.648 11.019 1.00 3.89 H new ATOM 0 HD2 HIS A 333 -7.735 -5.079 14.159 1.00 5.35 H new ATOM 0 HE1 HIS A 333 -9.417 -1.388 15.391 1.00 6.24 H new ATOM 0 HE2 HIS A 333 -8.671 -3.694 16.158 1.00 6.26 H new ATOM 39 N MET A 334 -9.570 -4.192 8.952 1.00 1.20 N ATOM 40 CA MET A 334 -9.757 -4.139 7.512 1.00 0.62 C ATOM 41 C MET A 334 -9.042 -2.933 6.911 1.00 0.57 C ATOM 42 O MET A 334 -9.665 -1.943 6.520 1.00 0.92 O ATOM 43 CB MET A 334 -11.248 -4.107 7.164 1.00 1.35 C ATOM 44 CG MET A 334 -11.527 -4.234 5.674 1.00 2.01 C ATOM 45 SD MET A 334 -13.286 -4.215 5.286 1.00 3.03 S ATOM 46 CE MET A 334 -13.226 -4.407 3.508 1.00 3.71 C ATOM 0 H MET A 334 -10.359 -3.836 9.492 1.00 1.20 H new ATOM 0 HA MET A 334 -9.320 -5.040 7.082 1.00 0.62 H new ATOM 0 HB2 MET A 334 -11.753 -4.917 7.690 1.00 1.35 H new ATOM 0 HB3 MET A 334 -11.678 -3.174 7.528 1.00 1.35 H new ATOM 0 HG2 MET A 334 -11.035 -3.417 5.146 1.00 2.01 H new ATOM 0 HG3 MET A 334 -11.089 -5.161 5.305 1.00 2.01 H new ATOM 0 HE1 MET A 334 -14.240 -4.415 3.108 1.00 3.71 H new ATOM 0 HE2 MET A 334 -12.670 -3.577 3.071 1.00 3.71 H new ATOM 0 HE3 MET A 334 -12.731 -5.346 3.260 1.00 3.71 H new ATOM 56 N ARG A 335 -7.724 -3.018 6.863 1.00 0.40 N ATOM 57 CA ARG A 335 -6.915 -1.998 6.223 1.00 0.32 C ATOM 58 C ARG A 335 -7.050 -2.121 4.714 1.00 0.28 C ATOM 59 O ARG A 335 -7.173 -3.229 4.194 1.00 0.42 O ATOM 60 CB ARG A 335 -5.446 -2.158 6.606 1.00 0.37 C ATOM 61 CG ARG A 335 -5.194 -2.190 8.097 1.00 0.56 C ATOM 62 CD ARG A 335 -3.762 -1.814 8.394 1.00 0.93 C ATOM 63 NE ARG A 335 -3.477 -1.753 9.825 1.00 1.32 N ATOM 64 CZ ARG A 335 -2.806 -0.759 10.409 1.00 2.05 C ATOM 65 NH1 ARG A 335 -2.473 0.328 9.723 1.00 2.81 N ATOM 66 NH2 ARG A 335 -2.498 -0.837 11.697 1.00 2.51 N ATOM 0 H ARG A 335 -7.189 -3.789 7.263 1.00 0.40 H new ATOM 0 HA ARG A 335 -7.263 -1.019 6.554 1.00 0.32 H new ATOM 0 HB2 ARG A 335 -5.065 -3.079 6.165 1.00 0.37 H new ATOM 0 HB3 ARG A 335 -4.877 -1.337 6.170 1.00 0.37 H new ATOM 0 HG2 ARG A 335 -5.871 -1.501 8.602 1.00 0.56 H new ATOM 0 HG3 ARG A 335 -5.404 -3.186 8.487 1.00 0.56 H new ATOM 0 HD2 ARG A 335 -3.096 -2.540 7.926 1.00 0.93 H new ATOM 0 HD3 ARG A 335 -3.545 -0.846 7.943 1.00 0.93 H new ATOM 0 HE ARG A 335 -3.811 -2.516 10.413 1.00 1.32 H new ATOM 0 HH11 ARG A 335 -2.730 0.409 8.739 1.00 2.81 H new ATOM 0 HH12 ARG A 335 -1.960 1.082 10.180 1.00 2.81 H new ATOM 0 HH21 ARG A 335 -2.774 -1.656 12.239 1.00 2.51 H new ATOM 0 HH22 ARG A 335 -1.985 -0.078 12.146 1.00 2.51 H new ATOM 80 N LEU A 336 -7.050 -1.001 4.012 1.00 0.23 N ATOM 81 CA LEU A 336 -7.008 -1.044 2.561 1.00 0.28 C ATOM 82 C LEU A 336 -5.571 -1.132 2.111 1.00 0.14 C ATOM 83 O LEU A 336 -4.687 -1.182 2.943 1.00 0.20 O ATOM 84 CB LEU A 336 -7.707 0.142 1.903 1.00 0.48 C ATOM 85 CG LEU A 336 -7.169 1.539 2.184 1.00 0.39 C ATOM 86 CD1 LEU A 336 -7.572 2.445 1.040 1.00 0.33 C ATOM 87 CD2 LEU A 336 -7.720 2.099 3.489 1.00 0.67 C ATOM 0 H LEU A 336 -7.078 -0.065 4.415 1.00 0.23 H new ATOM 0 HA LEU A 336 -7.559 -1.929 2.242 1.00 0.28 H new ATOM 0 HB2 LEU A 336 -7.683 -0.014 0.824 1.00 0.48 H new ATOM 0 HB3 LEU A 336 -8.754 0.121 2.205 1.00 0.48 H new ATOM 0 HG LEU A 336 -6.084 1.485 2.276 1.00 0.39 H new ATOM 0 HD11 LEU A 336 -7.196 3.451 1.223 1.00 0.33 H new ATOM 0 HD12 LEU A 336 -7.152 2.064 0.109 1.00 0.33 H new ATOM 0 HD13 LEU A 336 -8.659 2.473 0.963 1.00 0.33 H new ATOM 0 HD21 LEU A 336 -7.315 3.097 3.657 1.00 0.67 H new ATOM 0 HD22 LEU A 336 -8.807 2.154 3.431 1.00 0.67 H new ATOM 0 HD23 LEU A 336 -7.433 1.447 4.314 1.00 0.67 H new ATOM 99 N LEU A 337 -5.333 -1.123 0.811 1.00 0.15 N ATOM 100 CA LEU A 337 -4.037 -1.524 0.285 1.00 0.12 C ATOM 101 C LEU A 337 -2.894 -0.687 0.856 1.00 0.11 C ATOM 102 O LEU A 337 -1.903 -1.238 1.324 1.00 0.12 O ATOM 103 CB LEU A 337 -4.060 -1.454 -1.243 1.00 0.14 C ATOM 104 CG LEU A 337 -2.870 -2.068 -1.968 1.00 0.14 C ATOM 105 CD1 LEU A 337 -1.781 -1.046 -2.133 1.00 0.14 C ATOM 106 CD2 LEU A 337 -2.338 -3.275 -1.216 1.00 0.15 C ATOM 0 H LEU A 337 -6.013 -0.845 0.104 1.00 0.15 H new ATOM 0 HA LEU A 337 -3.851 -2.552 0.597 1.00 0.12 H new ATOM 0 HB2 LEU A 337 -4.966 -1.949 -1.594 1.00 0.14 H new ATOM 0 HB3 LEU A 337 -4.135 -0.407 -1.536 1.00 0.14 H new ATOM 0 HG LEU A 337 -3.205 -2.397 -2.952 1.00 0.14 H new ATOM 0 HD11 LEU A 337 -0.935 -1.496 -2.653 1.00 0.14 H new ATOM 0 HD12 LEU A 337 -2.157 -0.204 -2.714 1.00 0.14 H new ATOM 0 HD13 LEU A 337 -1.459 -0.695 -1.152 1.00 0.14 H new ATOM 0 HD21 LEU A 337 -1.489 -3.694 -1.755 1.00 0.15 H new ATOM 0 HD22 LEU A 337 -2.020 -2.971 -0.219 1.00 0.15 H new ATOM 0 HD23 LEU A 337 -3.123 -4.027 -1.134 1.00 0.15 H new ATOM 118 N TRP A 338 -3.041 0.629 0.867 1.00 0.12 N ATOM 119 CA TRP A 338 -1.963 1.476 1.383 1.00 0.14 C ATOM 120 C TRP A 338 -1.888 1.394 2.908 1.00 0.14 C ATOM 121 O TRP A 338 -0.812 1.499 3.491 1.00 0.17 O ATOM 122 CB TRP A 338 -2.098 2.935 0.916 1.00 0.16 C ATOM 123 CG TRP A 338 -3.298 3.661 1.438 1.00 0.14 C ATOM 124 CD1 TRP A 338 -4.462 3.898 0.775 1.00 0.15 C ATOM 125 CD2 TRP A 338 -3.441 4.264 2.727 1.00 0.15 C ATOM 126 NE1 TRP A 338 -5.326 4.602 1.577 1.00 0.15 N ATOM 127 CE2 TRP A 338 -4.722 4.835 2.779 1.00 0.16 C ATOM 128 CE3 TRP A 338 -2.610 4.373 3.842 1.00 0.18 C ATOM 129 CZ2 TRP A 338 -5.192 5.500 3.904 1.00 0.19 C ATOM 130 CZ3 TRP A 338 -3.076 5.029 4.956 1.00 0.21 C ATOM 131 CH2 TRP A 338 -4.359 5.587 4.980 1.00 0.21 C ATOM 0 H TRP A 338 -3.867 1.127 0.537 1.00 0.12 H new ATOM 0 HA TRP A 338 -1.029 1.094 0.971 1.00 0.14 H new ATOM 0 HB2 TRP A 338 -1.204 3.481 1.217 1.00 0.16 H new ATOM 0 HB3 TRP A 338 -2.129 2.950 -0.173 1.00 0.16 H new ATOM 0 HD1 TRP A 338 -4.675 3.579 -0.235 1.00 0.15 H new ATOM 0 HE1 TRP A 338 -6.266 4.902 1.317 1.00 0.15 H new ATOM 0 HE3 TRP A 338 -1.617 3.949 3.830 1.00 0.18 H new ATOM 0 HZ2 TRP A 338 -6.181 5.933 3.926 1.00 0.19 H new ATOM 0 HZ3 TRP A 338 -2.442 5.115 5.826 1.00 0.21 H new ATOM 0 HH2 TRP A 338 -4.697 6.098 5.870 1.00 0.21 H new ATOM 142 N ASP A 339 -3.031 1.185 3.545 1.00 0.14 N ATOM 143 CA ASP A 339 -3.087 1.057 4.997 1.00 0.17 C ATOM 144 C ASP A 339 -2.490 -0.282 5.400 1.00 0.16 C ATOM 145 O ASP A 339 -1.806 -0.409 6.415 1.00 0.23 O ATOM 146 CB ASP A 339 -4.537 1.182 5.477 1.00 0.23 C ATOM 147 CG ASP A 339 -4.665 1.264 6.987 1.00 0.34 C ATOM 148 OD1 ASP A 339 -3.663 1.615 7.648 1.00 0.86 O ATOM 149 OD2 ASP A 339 -5.752 0.969 7.519 1.00 1.15 O ATOM 0 H ASP A 339 -3.935 1.100 3.080 1.00 0.14 H new ATOM 0 HA ASP A 339 -2.510 1.854 5.465 1.00 0.17 H new ATOM 0 HB2 ASP A 339 -4.984 2.071 5.033 1.00 0.23 H new ATOM 0 HB3 ASP A 339 -5.107 0.325 5.117 1.00 0.23 H new ATOM 154 N TYR A 340 -2.751 -1.274 4.567 1.00 0.11 N ATOM 155 CA TYR A 340 -2.205 -2.612 4.728 1.00 0.10 C ATOM 156 C TYR A 340 -0.678 -2.606 4.698 1.00 0.08 C ATOM 157 O TYR A 340 -0.041 -3.241 5.535 1.00 0.09 O ATOM 158 CB TYR A 340 -2.727 -3.515 3.616 1.00 0.11 C ATOM 159 CG TYR A 340 -2.439 -4.964 3.863 1.00 0.12 C ATOM 160 CD1 TYR A 340 -2.804 -5.547 5.061 1.00 0.15 C ATOM 161 CD2 TYR A 340 -1.809 -5.747 2.910 1.00 0.12 C ATOM 162 CE1 TYR A 340 -2.550 -6.870 5.312 1.00 0.18 C ATOM 163 CE2 TYR A 340 -1.550 -7.082 3.150 1.00 0.14 C ATOM 164 CZ TYR A 340 -1.924 -7.639 4.356 1.00 0.16 C ATOM 165 OH TYR A 340 -1.665 -8.967 4.612 1.00 0.20 O ATOM 0 H TYR A 340 -3.354 -1.173 3.751 1.00 0.11 H new ATOM 0 HA TYR A 340 -2.524 -2.987 5.700 1.00 0.10 H new ATOM 0 HB2 TYR A 340 -3.803 -3.375 3.515 1.00 0.11 H new ATOM 0 HB3 TYR A 340 -2.277 -3.216 2.669 1.00 0.11 H new ATOM 0 HD1 TYR A 340 -3.298 -4.950 5.813 1.00 0.15 H new ATOM 0 HD2 TYR A 340 -1.517 -5.308 1.968 1.00 0.12 H new ATOM 0 HE1 TYR A 340 -2.840 -7.308 6.256 1.00 0.18 H new ATOM 0 HE2 TYR A 340 -1.059 -7.685 2.400 1.00 0.14 H new ATOM 0 HH TYR A 340 -2.140 -9.524 3.961 1.00 0.20 H new ATOM 175 N VAL A 341 -0.084 -1.889 3.739 1.00 0.08 N ATOM 176 CA VAL A 341 1.375 -1.881 3.612 1.00 0.07 C ATOM 177 C VAL A 341 2.017 -1.325 4.873 1.00 0.08 C ATOM 178 O VAL A 341 3.094 -1.747 5.246 1.00 0.08 O ATOM 179 CB VAL A 341 1.894 -1.090 2.378 1.00 0.08 C ATOM 180 CG1 VAL A 341 1.095 -1.410 1.134 1.00 0.07 C ATOM 181 CG2 VAL A 341 1.930 0.409 2.616 1.00 0.09 C ATOM 0 H VAL A 341 -0.579 -1.318 3.053 1.00 0.08 H new ATOM 0 HA VAL A 341 1.663 -2.922 3.465 1.00 0.07 H new ATOM 0 HB VAL A 341 2.922 -1.417 2.221 1.00 0.08 H new ATOM 0 HG11 VAL A 341 1.487 -0.838 0.293 1.00 0.07 H new ATOM 0 HG12 VAL A 341 1.172 -2.475 0.916 1.00 0.07 H new ATOM 0 HG13 VAL A 341 0.050 -1.147 1.295 1.00 0.07 H new ATOM 0 HG21 VAL A 341 2.300 0.911 1.722 1.00 0.09 H new ATOM 0 HG22 VAL A 341 0.925 0.766 2.842 1.00 0.09 H new ATOM 0 HG23 VAL A 341 2.591 0.628 3.455 1.00 0.09 H new ATOM 191 N TYR A 342 1.344 -0.387 5.527 1.00 0.08 N ATOM 192 CA TYR A 342 1.818 0.148 6.809 1.00 0.10 C ATOM 193 C TYR A 342 1.978 -0.955 7.853 1.00 0.11 C ATOM 194 O TYR A 342 2.927 -0.944 8.638 1.00 0.14 O ATOM 195 CB TYR A 342 0.867 1.210 7.363 1.00 0.11 C ATOM 196 CG TYR A 342 1.173 2.617 6.918 1.00 0.11 C ATOM 197 CD1 TYR A 342 2.274 3.293 7.425 1.00 0.14 C ATOM 198 CD2 TYR A 342 0.358 3.281 6.014 1.00 0.16 C ATOM 199 CE1 TYR A 342 2.558 4.586 7.039 1.00 0.16 C ATOM 200 CE2 TYR A 342 0.639 4.572 5.623 1.00 0.19 C ATOM 201 CZ TYR A 342 1.740 5.219 6.138 1.00 0.17 C ATOM 202 OH TYR A 342 2.018 6.511 5.755 1.00 0.21 O ATOM 0 H TYR A 342 0.470 0.022 5.197 1.00 0.08 H new ATOM 0 HA TYR A 342 2.789 0.602 6.610 1.00 0.10 H new ATOM 0 HB2 TYR A 342 -0.151 0.961 7.062 1.00 0.11 H new ATOM 0 HB3 TYR A 342 0.896 1.173 8.452 1.00 0.11 H new ATOM 0 HD1 TYR A 342 2.920 2.797 8.135 1.00 0.14 H new ATOM 0 HD2 TYR A 342 -0.509 2.779 5.611 1.00 0.16 H new ATOM 0 HE1 TYR A 342 3.419 5.097 7.444 1.00 0.16 H new ATOM 0 HE2 TYR A 342 -0.002 5.075 4.915 1.00 0.19 H new ATOM 0 HH TYR A 342 2.060 6.561 4.777 1.00 0.21 H new ATOM 212 N GLN A 343 1.052 -1.907 7.861 1.00 0.12 N ATOM 213 CA GLN A 343 1.092 -2.992 8.829 1.00 0.18 C ATOM 214 C GLN A 343 2.227 -3.934 8.471 1.00 0.18 C ATOM 215 O GLN A 343 2.886 -4.511 9.334 1.00 0.25 O ATOM 216 CB GLN A 343 -0.255 -3.729 8.841 1.00 0.28 C ATOM 217 CG GLN A 343 -0.318 -4.976 7.981 1.00 0.55 C ATOM 218 CD GLN A 343 -0.310 -6.250 8.801 1.00 0.99 C ATOM 219 OE1 GLN A 343 -1.364 -6.792 9.138 1.00 1.40 O ATOM 220 NE2 GLN A 343 0.876 -6.715 9.156 1.00 1.15 N ATOM 0 H GLN A 343 0.268 -1.948 7.210 1.00 0.12 H new ATOM 0 HA GLN A 343 1.268 -2.595 9.829 1.00 0.18 H new ATOM 0 HB2 GLN A 343 -0.491 -4.004 9.869 1.00 0.28 H new ATOM 0 HB3 GLN A 343 -1.031 -3.039 8.509 1.00 0.28 H new ATOM 0 HG2 GLN A 343 -1.221 -4.947 7.371 1.00 0.55 H new ATOM 0 HG3 GLN A 343 0.530 -4.984 7.296 1.00 0.55 H new ATOM 0 HE21 GLN A 343 1.723 -6.234 8.854 1.00 1.15 H new ATOM 0 HE22 GLN A 343 0.943 -7.554 9.731 1.00 1.15 H new ATOM 229 N LEU A 344 2.440 -4.075 7.178 1.00 0.15 N ATOM 230 CA LEU A 344 3.493 -4.918 6.657 1.00 0.16 C ATOM 231 C LEU A 344 4.855 -4.248 6.831 1.00 0.18 C ATOM 232 O LEU A 344 5.858 -4.897 7.113 1.00 0.27 O ATOM 233 CB LEU A 344 3.212 -5.178 5.182 1.00 0.13 C ATOM 234 CG LEU A 344 1.816 -5.719 4.888 1.00 0.12 C ATOM 235 CD1 LEU A 344 1.565 -5.732 3.403 1.00 0.10 C ATOM 236 CD2 LEU A 344 1.645 -7.112 5.452 1.00 0.18 C ATOM 0 H LEU A 344 1.887 -3.607 6.460 1.00 0.15 H new ATOM 0 HA LEU A 344 3.516 -5.861 7.204 1.00 0.16 H new ATOM 0 HB2 LEU A 344 3.351 -4.249 4.630 1.00 0.13 H new ATOM 0 HB3 LEU A 344 3.949 -5.887 4.804 1.00 0.13 H new ATOM 0 HG LEU A 344 1.091 -5.062 5.368 1.00 0.12 H new ATOM 0 HD11 LEU A 344 0.566 -6.120 3.206 1.00 0.10 H new ATOM 0 HD12 LEU A 344 1.644 -4.718 3.012 1.00 0.10 H new ATOM 0 HD13 LEU A 344 2.304 -6.368 2.915 1.00 0.10 H new ATOM 0 HD21 LEU A 344 0.642 -7.474 5.229 1.00 0.18 H new ATOM 0 HD22 LEU A 344 2.380 -7.779 5.002 1.00 0.18 H new ATOM 0 HD23 LEU A 344 1.790 -7.088 6.532 1.00 0.18 H new ATOM 248 N LEU A 345 4.845 -2.934 6.680 1.00 0.12 N ATOM 249 CA LEU A 345 6.035 -2.094 6.770 1.00 0.13 C ATOM 250 C LEU A 345 6.650 -2.137 8.163 1.00 0.19 C ATOM 251 O LEU A 345 7.855 -1.951 8.325 1.00 0.29 O ATOM 252 CB LEU A 345 5.658 -0.649 6.413 1.00 0.10 C ATOM 253 CG LEU A 345 6.116 -0.154 5.032 1.00 0.10 C ATOM 254 CD1 LEU A 345 6.430 -1.312 4.109 1.00 0.12 C ATOM 255 CD2 LEU A 345 5.060 0.747 4.399 1.00 0.10 C ATOM 0 H LEU A 345 3.993 -2.407 6.487 1.00 0.12 H new ATOM 0 HA LEU A 345 6.778 -2.475 6.069 1.00 0.13 H new ATOM 0 HB2 LEU A 345 4.574 -0.553 6.470 1.00 0.10 H new ATOM 0 HB3 LEU A 345 6.077 0.013 7.171 1.00 0.10 H new ATOM 0 HG LEU A 345 7.028 0.425 5.179 1.00 0.10 H new ATOM 0 HD11 LEU A 345 6.751 -0.929 3.140 1.00 0.12 H new ATOM 0 HD12 LEU A 345 7.227 -1.917 4.542 1.00 0.12 H new ATOM 0 HD13 LEU A 345 5.539 -1.926 3.979 1.00 0.12 H new ATOM 0 HD21 LEU A 345 5.408 1.084 3.423 1.00 0.10 H new ATOM 0 HD22 LEU A 345 4.130 0.190 4.281 1.00 0.10 H new ATOM 0 HD23 LEU A 345 4.887 1.611 5.041 1.00 0.10 H new ATOM 267 N SER A 346 5.822 -2.384 9.167 1.00 0.25 N ATOM 268 CA SER A 346 6.280 -2.347 10.544 1.00 0.33 C ATOM 269 C SER A 346 6.592 -3.744 11.077 1.00 0.30 C ATOM 270 O SER A 346 7.259 -3.881 12.103 1.00 0.53 O ATOM 271 CB SER A 346 5.228 -1.673 11.429 1.00 0.51 C ATOM 272 OG SER A 346 5.716 -1.473 12.747 1.00 1.43 O ATOM 0 H SER A 346 4.834 -2.611 9.053 1.00 0.25 H new ATOM 0 HA SER A 346 7.204 -1.769 10.569 1.00 0.33 H new ATOM 0 HB2 SER A 346 4.944 -0.715 10.995 1.00 0.51 H new ATOM 0 HB3 SER A 346 4.328 -2.288 11.461 1.00 0.51 H new ATOM 0 HG SER A 346 6.473 -2.073 12.910 1.00 1.43 H new ATOM 278 N ASP A 347 6.118 -4.778 10.392 1.00 0.32 N ATOM 279 CA ASP A 347 6.297 -6.140 10.881 1.00 0.32 C ATOM 280 C ASP A 347 7.318 -6.888 10.031 1.00 0.30 C ATOM 281 O ASP A 347 7.342 -6.771 8.807 1.00 0.30 O ATOM 282 CB ASP A 347 4.963 -6.885 10.906 1.00 0.35 C ATOM 283 CG ASP A 347 4.919 -7.933 12.000 1.00 0.49 C ATOM 284 OD1 ASP A 347 5.690 -8.909 11.934 1.00 0.58 O ATOM 285 OD2 ASP A 347 4.115 -7.780 12.941 1.00 0.67 O ATOM 0 H ASP A 347 5.614 -4.702 9.509 1.00 0.32 H new ATOM 0 HA ASP A 347 6.677 -6.089 11.901 1.00 0.32 H new ATOM 0 HB2 ASP A 347 4.152 -6.172 11.054 1.00 0.35 H new ATOM 0 HB3 ASP A 347 4.796 -7.362 9.940 1.00 0.35 H new ATOM 290 N SER A 348 8.132 -7.681 10.698 1.00 0.34 N ATOM 291 CA SER A 348 9.348 -8.219 10.119 1.00 0.35 C ATOM 292 C SER A 348 9.099 -9.323 9.104 1.00 0.31 C ATOM 293 O SER A 348 9.825 -9.445 8.121 1.00 0.32 O ATOM 294 CB SER A 348 10.217 -8.739 11.241 1.00 0.46 C ATOM 295 OG SER A 348 9.422 -9.113 12.358 1.00 1.53 O ATOM 0 H SER A 348 7.968 -7.972 11.662 1.00 0.34 H new ATOM 0 HA SER A 348 9.840 -7.414 9.573 1.00 0.35 H new ATOM 0 HB2 SER A 348 10.793 -9.597 10.894 1.00 0.46 H new ATOM 0 HB3 SER A 348 10.934 -7.973 11.538 1.00 0.46 H new ATOM 0 HG SER A 348 10.001 -9.449 13.074 1.00 1.53 H new ATOM 301 N ARG A 349 8.084 -10.132 9.341 1.00 0.33 N ATOM 302 CA ARG A 349 7.787 -11.248 8.448 1.00 0.35 C ATOM 303 C ARG A 349 7.441 -10.771 7.038 1.00 0.29 C ATOM 304 O ARG A 349 7.474 -11.551 6.090 1.00 0.34 O ATOM 305 CB ARG A 349 6.677 -12.132 9.007 1.00 0.42 C ATOM 306 CG ARG A 349 5.321 -11.482 8.992 1.00 0.55 C ATOM 307 CD ARG A 349 4.820 -11.216 10.390 1.00 0.59 C ATOM 308 NE ARG A 349 4.545 -12.443 11.127 1.00 1.23 N ATOM 309 CZ ARG A 349 4.197 -12.467 12.410 1.00 1.67 C ATOM 310 NH1 ARG A 349 4.157 -11.342 13.110 1.00 1.93 N ATOM 311 NH2 ARG A 349 3.901 -13.617 12.997 1.00 2.56 N ATOM 0 H ARG A 349 7.452 -10.043 10.137 1.00 0.33 H new ATOM 0 HA ARG A 349 8.694 -11.849 8.381 1.00 0.35 H new ATOM 0 HB2 ARG A 349 6.634 -13.055 8.429 1.00 0.42 H new ATOM 0 HB3 ARG A 349 6.926 -12.409 10.031 1.00 0.42 H new ATOM 0 HG2 ARG A 349 5.372 -10.545 8.438 1.00 0.55 H new ATOM 0 HG3 ARG A 349 4.614 -12.125 8.467 1.00 0.55 H new ATOM 0 HD2 ARG A 349 5.561 -10.628 10.932 1.00 0.59 H new ATOM 0 HD3 ARG A 349 3.912 -10.615 10.339 1.00 0.59 H new ATOM 0 HE ARG A 349 4.624 -13.331 10.632 1.00 1.23 H new ATOM 0 HH11 ARG A 349 4.393 -10.455 12.664 1.00 1.93 H new ATOM 0 HH12 ARG A 349 3.890 -11.363 14.094 1.00 1.93 H new ATOM 0 HH21 ARG A 349 3.940 -14.486 12.465 1.00 2.56 H new ATOM 0 HH22 ARG A 349 3.634 -13.633 13.981 1.00 2.56 H new ATOM 325 N TYR A 350 7.121 -9.488 6.898 1.00 0.22 N ATOM 326 CA TYR A 350 6.759 -8.938 5.602 1.00 0.17 C ATOM 327 C TYR A 350 7.860 -8.054 5.054 1.00 0.16 C ATOM 328 O TYR A 350 7.775 -7.588 3.924 1.00 0.15 O ATOM 329 CB TYR A 350 5.492 -8.114 5.713 1.00 0.17 C ATOM 330 CG TYR A 350 4.454 -8.736 6.589 1.00 0.20 C ATOM 331 CD1 TYR A 350 3.856 -9.930 6.240 1.00 0.24 C ATOM 332 CD2 TYR A 350 4.071 -8.123 7.761 1.00 0.23 C ATOM 333 CE1 TYR A 350 2.896 -10.496 7.031 1.00 0.29 C ATOM 334 CE2 TYR A 350 3.113 -8.682 8.567 1.00 0.28 C ATOM 335 CZ TYR A 350 2.521 -9.872 8.199 1.00 0.31 C ATOM 336 OH TYR A 350 1.553 -10.434 8.999 1.00 0.39 O ATOM 0 H TYR A 350 7.106 -8.815 7.664 1.00 0.22 H new ATOM 0 HA TYR A 350 6.602 -9.778 4.926 1.00 0.17 H new ATOM 0 HB2 TYR A 350 5.742 -7.127 6.103 1.00 0.17 H new ATOM 0 HB3 TYR A 350 5.075 -7.966 4.717 1.00 0.17 H new ATOM 0 HD1 TYR A 350 4.152 -10.425 5.327 1.00 0.24 H new ATOM 0 HD2 TYR A 350 4.531 -7.189 8.049 1.00 0.23 H new ATOM 0 HE1 TYR A 350 2.434 -11.428 6.741 1.00 0.29 H new ATOM 0 HE2 TYR A 350 2.823 -8.193 9.485 1.00 0.28 H new ATOM 0 HH TYR A 350 1.408 -9.867 9.785 1.00 0.39 H new ATOM 346 N GLU A 351 8.896 -7.833 5.849 1.00 0.18 N ATOM 347 CA GLU A 351 9.968 -6.919 5.456 1.00 0.21 C ATOM 348 C GLU A 351 10.736 -7.461 4.247 1.00 0.21 C ATOM 349 O GLU A 351 11.496 -6.738 3.602 1.00 0.24 O ATOM 350 CB GLU A 351 10.912 -6.652 6.630 1.00 0.28 C ATOM 351 CG GLU A 351 11.921 -7.750 6.866 1.00 0.48 C ATOM 352 CD GLU A 351 12.921 -7.392 7.939 1.00 0.99 C ATOM 353 OE1 GLU A 351 13.854 -6.617 7.645 1.00 1.05 O ATOM 354 OE2 GLU A 351 12.785 -7.877 9.079 1.00 1.78 O ATOM 0 H GLU A 351 9.021 -8.268 6.763 1.00 0.18 H new ATOM 0 HA GLU A 351 9.514 -5.972 5.166 1.00 0.21 H new ATOM 0 HB2 GLU A 351 11.443 -5.717 6.451 1.00 0.28 H new ATOM 0 HB3 GLU A 351 10.320 -6.515 7.535 1.00 0.28 H new ATOM 0 HG2 GLU A 351 11.399 -8.664 7.150 1.00 0.48 H new ATOM 0 HG3 GLU A 351 12.450 -7.960 5.936 1.00 0.48 H new ATOM 361 N ASN A 352 10.526 -8.738 3.948 1.00 0.19 N ATOM 362 CA ASN A 352 11.101 -9.372 2.787 1.00 0.21 C ATOM 363 C ASN A 352 10.153 -9.292 1.588 1.00 0.16 C ATOM 364 O ASN A 352 10.499 -9.714 0.484 1.00 0.18 O ATOM 365 CB ASN A 352 11.409 -10.823 3.129 1.00 0.27 C ATOM 366 CG ASN A 352 10.255 -11.525 3.816 1.00 1.03 C ATOM 367 OD1 ASN A 352 9.397 -12.112 3.166 1.00 1.83 O ATOM 368 ND2 ASN A 352 10.241 -11.493 5.140 1.00 1.62 N ATOM 0 H ASN A 352 9.947 -9.359 4.513 1.00 0.19 H new ATOM 0 HA ASN A 352 12.019 -8.853 2.510 1.00 0.21 H new ATOM 0 HB2 ASN A 352 11.662 -11.360 2.215 1.00 0.27 H new ATOM 0 HB3 ASN A 352 12.287 -10.860 3.775 1.00 0.27 H new ATOM 0 HD21 ASN A 352 9.499 -11.967 5.654 1.00 1.62 H new ATOM 0 HD22 ASN A 352 10.973 -10.994 5.646 1.00 1.62 H new ATOM 375 N PHE A 353 8.953 -8.766 1.820 1.00 0.13 N ATOM 376 CA PHE A 353 7.985 -8.524 0.754 1.00 0.10 C ATOM 377 C PHE A 353 7.823 -7.025 0.514 1.00 0.08 C ATOM 378 O PHE A 353 7.449 -6.592 -0.573 1.00 0.07 O ATOM 379 CB PHE A 353 6.615 -9.103 1.108 1.00 0.09 C ATOM 380 CG PHE A 353 6.578 -10.590 1.302 1.00 0.12 C ATOM 381 CD1 PHE A 353 7.447 -11.420 0.622 1.00 0.17 C ATOM 382 CD2 PHE A 353 5.664 -11.153 2.173 1.00 0.13 C ATOM 383 CE1 PHE A 353 7.405 -12.788 0.805 1.00 0.19 C ATOM 384 CE2 PHE A 353 5.615 -12.516 2.362 1.00 0.17 C ATOM 385 CZ PHE A 353 6.485 -13.337 1.677 1.00 0.18 C ATOM 0 H PHE A 353 8.625 -8.497 2.748 1.00 0.13 H new ATOM 0 HA PHE A 353 8.364 -9.012 -0.144 1.00 0.10 H new ATOM 0 HB2 PHE A 353 6.262 -8.625 2.022 1.00 0.09 H new ATOM 0 HB3 PHE A 353 5.912 -8.839 0.318 1.00 0.09 H new ATOM 0 HD1 PHE A 353 8.168 -10.994 -0.061 1.00 0.17 H new ATOM 0 HD2 PHE A 353 4.979 -10.515 2.712 1.00 0.13 H new ATOM 0 HE1 PHE A 353 8.090 -13.427 0.268 1.00 0.19 H new ATOM 0 HE2 PHE A 353 4.896 -12.941 3.046 1.00 0.17 H new ATOM 0 HZ PHE A 353 6.447 -14.407 1.822 1.00 0.18 H new ATOM 395 N ILE A 354 8.107 -6.246 1.543 1.00 0.08 N ATOM 396 CA ILE A 354 7.939 -4.800 1.512 1.00 0.07 C ATOM 397 C ILE A 354 8.637 -4.221 2.734 1.00 0.08 C ATOM 398 O ILE A 354 8.721 -4.883 3.764 1.00 0.10 O ATOM 399 CB ILE A 354 6.439 -4.418 1.519 1.00 0.07 C ATOM 400 CG1 ILE A 354 6.224 -2.956 1.123 1.00 0.07 C ATOM 401 CG2 ILE A 354 5.825 -4.693 2.883 1.00 0.08 C ATOM 402 CD1 ILE A 354 4.768 -2.535 1.129 1.00 0.07 C ATOM 0 H ILE A 354 8.463 -6.600 2.431 1.00 0.08 H new ATOM 0 HA ILE A 354 8.375 -4.397 0.598 1.00 0.07 H new ATOM 0 HB ILE A 354 5.940 -5.038 0.775 1.00 0.07 H new ATOM 0 HG12 ILE A 354 6.781 -2.317 1.808 1.00 0.07 H new ATOM 0 HG13 ILE A 354 6.637 -2.793 0.127 1.00 0.07 H new ATOM 0 HG21 ILE A 354 4.770 -4.418 2.869 1.00 0.08 H new ATOM 0 HG22 ILE A 354 5.921 -5.753 3.118 1.00 0.08 H new ATOM 0 HG23 ILE A 354 6.343 -4.105 3.640 1.00 0.08 H new ATOM 0 HD11 ILE A 354 4.691 -1.487 0.839 1.00 0.07 H new ATOM 0 HD12 ILE A 354 4.209 -3.149 0.423 1.00 0.07 H new ATOM 0 HD13 ILE A 354 4.356 -2.665 2.130 1.00 0.07 H new ATOM 414 N ARG A 355 9.160 -3.018 2.631 1.00 0.09 N ATOM 415 CA ARG A 355 9.925 -2.456 3.736 1.00 0.11 C ATOM 416 C ARG A 355 10.087 -0.955 3.599 1.00 0.10 C ATOM 417 O ARG A 355 10.180 -0.426 2.495 1.00 0.14 O ATOM 418 CB ARG A 355 11.311 -3.100 3.802 1.00 0.16 C ATOM 419 CG ARG A 355 12.224 -2.686 2.660 1.00 0.22 C ATOM 420 CD ARG A 355 13.575 -3.367 2.755 1.00 0.25 C ATOM 421 NE ARG A 355 14.508 -2.892 1.737 1.00 0.98 N ATOM 422 CZ ARG A 355 15.370 -3.687 1.098 1.00 1.40 C ATOM 423 NH1 ARG A 355 15.385 -4.993 1.342 1.00 1.43 N ATOM 424 NH2 ARG A 355 16.218 -3.178 0.215 1.00 2.08 N ATOM 0 H ARG A 355 9.075 -2.416 1.812 1.00 0.09 H new ATOM 0 HA ARG A 355 9.371 -2.664 4.651 1.00 0.11 H new ATOM 0 HB2 ARG A 355 11.782 -2.835 4.748 1.00 0.16 H new ATOM 0 HB3 ARG A 355 11.200 -4.184 3.794 1.00 0.16 H new ATOM 0 HG2 ARG A 355 11.755 -2.937 1.709 1.00 0.22 H new ATOM 0 HG3 ARG A 355 12.359 -1.604 2.674 1.00 0.22 H new ATOM 0 HD2 ARG A 355 13.999 -3.191 3.744 1.00 0.25 H new ATOM 0 HD3 ARG A 355 13.445 -4.444 2.651 1.00 0.25 H new ATOM 0 HE ARG A 355 14.501 -1.900 1.501 1.00 0.98 H new ATOM 0 HH11 ARG A 355 14.736 -5.393 2.020 1.00 1.43 H new ATOM 0 HH12 ARG A 355 16.045 -5.596 0.851 1.00 1.43 H new ATOM 0 HH21 ARG A 355 16.213 -2.176 0.022 1.00 2.08 H new ATOM 0 HH22 ARG A 355 16.875 -3.788 -0.271 1.00 2.08 H new ATOM 438 N TRP A 356 10.110 -0.279 4.735 1.00 0.10 N ATOM 439 CA TRP A 356 10.432 1.136 4.776 1.00 0.09 C ATOM 440 C TRP A 356 11.857 1.383 4.297 1.00 0.09 C ATOM 441 O TRP A 356 12.817 0.902 4.901 1.00 0.14 O ATOM 442 CB TRP A 356 10.323 1.680 6.193 1.00 0.10 C ATOM 443 CG TRP A 356 8.936 1.843 6.726 1.00 0.10 C ATOM 444 CD1 TRP A 356 8.439 1.302 7.873 1.00 0.12 C ATOM 445 CD2 TRP A 356 7.878 2.626 6.158 1.00 0.10 C ATOM 446 NE1 TRP A 356 7.144 1.714 8.068 1.00 0.12 N ATOM 447 CE2 TRP A 356 6.777 2.526 7.027 1.00 0.12 C ATOM 448 CE3 TRP A 356 7.756 3.405 5.004 1.00 0.11 C ATOM 449 CZ2 TRP A 356 5.576 3.177 6.780 1.00 0.13 C ATOM 450 CZ3 TRP A 356 6.564 4.050 4.760 1.00 0.12 C ATOM 451 CH2 TRP A 356 5.488 3.939 5.643 1.00 0.13 C ATOM 0 H TRP A 356 9.908 -0.691 5.646 1.00 0.10 H new ATOM 0 HA TRP A 356 9.720 1.641 4.123 1.00 0.09 H new ATOM 0 HB2 TRP A 356 10.872 1.015 6.860 1.00 0.10 H new ATOM 0 HB3 TRP A 356 10.821 2.649 6.229 1.00 0.10 H new ATOM 0 HD1 TRP A 356 8.985 0.644 8.533 1.00 0.12 H new ATOM 0 HE1 TRP A 356 6.552 1.458 8.858 1.00 0.12 H new ATOM 0 HE3 TRP A 356 8.583 3.500 4.315 1.00 0.11 H new ATOM 0 HZ2 TRP A 356 4.741 3.087 7.459 1.00 0.13 H new ATOM 0 HZ3 TRP A 356 6.460 4.652 3.870 1.00 0.12 H new ATOM 0 HH2 TRP A 356 4.569 4.463 5.427 1.00 0.13 H new ATOM 462 N GLU A 357 11.983 2.136 3.224 1.00 0.10 N ATOM 463 CA GLU A 357 13.278 2.621 2.778 1.00 0.12 C ATOM 464 C GLU A 357 13.622 3.864 3.579 1.00 0.14 C ATOM 465 O GLU A 357 14.785 4.151 3.866 1.00 0.21 O ATOM 466 CB GLU A 357 13.226 2.947 1.298 1.00 0.16 C ATOM 467 CG GLU A 357 13.005 1.731 0.419 1.00 0.25 C ATOM 468 CD GLU A 357 14.217 0.827 0.321 1.00 0.36 C ATOM 469 OE1 GLU A 357 14.384 -0.059 1.187 1.00 0.61 O ATOM 470 OE2 GLU A 357 14.994 0.983 -0.646 1.00 0.78 O ATOM 0 H GLU A 357 11.200 2.428 2.639 1.00 0.10 H new ATOM 0 HA GLU A 357 14.040 1.858 2.932 1.00 0.12 H new ATOM 0 HB2 GLU A 357 12.425 3.665 1.120 1.00 0.16 H new ATOM 0 HB3 GLU A 357 14.158 3.431 1.008 1.00 0.16 H new ATOM 0 HG2 GLU A 357 12.165 1.158 0.811 1.00 0.25 H new ATOM 0 HG3 GLU A 357 12.727 2.062 -0.582 1.00 0.25 H new ATOM 477 N ASP A 358 12.572 4.597 3.910 1.00 0.14 N ATOM 478 CA ASP A 358 12.639 5.730 4.824 1.00 0.16 C ATOM 479 C ASP A 358 11.298 5.862 5.527 1.00 0.16 C ATOM 480 O ASP A 358 10.361 6.434 4.979 1.00 0.20 O ATOM 481 CB ASP A 358 12.922 7.029 4.076 1.00 0.20 C ATOM 482 CG ASP A 358 13.749 7.989 4.902 1.00 0.92 C ATOM 483 OD1 ASP A 358 13.190 8.606 5.831 1.00 1.46 O ATOM 484 OD2 ASP A 358 14.955 8.141 4.621 1.00 1.33 O ATOM 0 H ASP A 358 11.635 4.421 3.547 1.00 0.14 H new ATOM 0 HA ASP A 358 13.446 5.555 5.536 1.00 0.16 H new ATOM 0 HB2 ASP A 358 13.446 6.806 3.147 1.00 0.20 H new ATOM 0 HB3 ASP A 358 11.979 7.504 3.804 1.00 0.20 H new ATOM 489 N LYS A 359 11.214 5.336 6.738 1.00 0.15 N ATOM 490 CA LYS A 359 9.945 5.232 7.446 1.00 0.17 C ATOM 491 C LYS A 359 9.290 6.582 7.679 1.00 0.19 C ATOM 492 O LYS A 359 8.107 6.755 7.399 1.00 0.23 O ATOM 493 CB LYS A 359 10.130 4.534 8.787 1.00 0.23 C ATOM 494 CG LYS A 359 8.835 4.414 9.573 1.00 0.29 C ATOM 495 CD LYS A 359 9.009 3.604 10.842 1.00 0.38 C ATOM 496 CE LYS A 359 7.729 3.594 11.655 1.00 0.91 C ATOM 497 NZ LYS A 359 7.901 2.899 12.957 1.00 1.50 N ATOM 0 H LYS A 359 12.014 4.972 7.255 1.00 0.15 H new ATOM 0 HA LYS A 359 9.288 4.644 6.805 1.00 0.17 H new ATOM 0 HB2 LYS A 359 10.541 3.539 8.619 1.00 0.23 H new ATOM 0 HB3 LYS A 359 10.860 5.085 9.380 1.00 0.23 H new ATOM 0 HG2 LYS A 359 8.472 5.410 9.827 1.00 0.29 H new ATOM 0 HG3 LYS A 359 8.074 3.947 8.947 1.00 0.29 H new ATOM 0 HD2 LYS A 359 9.293 2.582 10.590 1.00 0.38 H new ATOM 0 HD3 LYS A 359 9.820 4.023 11.438 1.00 0.38 H new ATOM 0 HE2 LYS A 359 7.404 4.619 11.832 1.00 0.91 H new ATOM 0 HE3 LYS A 359 6.941 3.104 11.084 1.00 0.91 H new ATOM 0 HZ1 LYS A 359 7.003 2.915 13.481 1.00 1.50 H new ATOM 0 HZ2 LYS A 359 8.186 1.913 12.789 1.00 1.50 H new ATOM 0 HZ3 LYS A 359 8.635 3.382 13.514 1.00 1.50 H new ATOM 511 N GLU A 360 10.043 7.534 8.198 1.00 0.21 N ATOM 512 CA GLU A 360 9.464 8.818 8.558 1.00 0.27 C ATOM 513 C GLU A 360 9.347 9.752 7.357 1.00 0.24 C ATOM 514 O GLU A 360 8.682 10.785 7.422 1.00 0.37 O ATOM 515 CB GLU A 360 10.226 9.444 9.711 1.00 0.41 C ATOM 516 CG GLU A 360 10.179 8.563 10.949 1.00 0.63 C ATOM 517 CD GLU A 360 8.764 8.292 11.443 1.00 1.75 C ATOM 518 OE1 GLU A 360 7.935 7.781 10.659 1.00 2.67 O ATOM 519 OE2 GLU A 360 8.472 8.578 12.625 1.00 1.97 O ATOM 0 H GLU A 360 11.043 7.447 8.378 1.00 0.21 H new ATOM 0 HA GLU A 360 8.443 8.643 8.898 1.00 0.27 H new ATOM 0 HB2 GLU A 360 11.263 9.607 9.418 1.00 0.41 H new ATOM 0 HB3 GLU A 360 9.802 10.421 9.942 1.00 0.41 H new ATOM 0 HG2 GLU A 360 10.668 7.614 10.730 1.00 0.63 H new ATOM 0 HG3 GLU A 360 10.750 9.038 11.747 1.00 0.63 H new ATOM 526 N SER A 361 9.977 9.370 6.255 1.00 0.19 N ATOM 527 CA SER A 361 9.744 10.024 4.978 1.00 0.21 C ATOM 528 C SER A 361 8.633 9.287 4.237 1.00 0.19 C ATOM 529 O SER A 361 8.236 9.662 3.133 1.00 0.24 O ATOM 530 CB SER A 361 11.030 10.018 4.156 1.00 0.26 C ATOM 531 OG SER A 361 12.055 10.746 4.808 1.00 0.31 O ATOM 0 H SER A 361 10.655 8.608 6.221 1.00 0.19 H new ATOM 0 HA SER A 361 9.441 11.059 5.139 1.00 0.21 H new ATOM 0 HB2 SER A 361 11.356 8.991 3.993 1.00 0.26 H new ATOM 0 HB3 SER A 361 10.840 10.452 3.174 1.00 0.26 H new ATOM 0 HG SER A 361 12.523 10.159 5.438 1.00 0.31 H new ATOM 537 N LYS A 362 8.143 8.230 4.893 1.00 0.15 N ATOM 538 CA LYS A 362 7.104 7.354 4.367 1.00 0.14 C ATOM 539 C LYS A 362 7.471 6.790 3.002 1.00 0.12 C ATOM 540 O LYS A 362 6.635 6.657 2.115 1.00 0.15 O ATOM 541 CB LYS A 362 5.743 8.052 4.346 1.00 0.20 C ATOM 542 CG LYS A 362 4.955 7.854 5.633 1.00 0.48 C ATOM 543 CD LYS A 362 5.659 8.479 6.822 1.00 0.48 C ATOM 544 CE LYS A 362 5.055 8.035 8.146 1.00 0.51 C ATOM 545 NZ LYS A 362 5.766 8.633 9.311 1.00 1.23 N ATOM 0 H LYS A 362 8.467 7.959 5.821 1.00 0.15 H new ATOM 0 HA LYS A 362 7.024 6.505 5.046 1.00 0.14 H new ATOM 0 HB2 LYS A 362 5.890 9.119 4.177 1.00 0.20 H new ATOM 0 HB3 LYS A 362 5.159 7.674 3.507 1.00 0.20 H new ATOM 0 HG2 LYS A 362 3.964 8.294 5.524 1.00 0.48 H new ATOM 0 HG3 LYS A 362 4.813 6.788 5.813 1.00 0.48 H new ATOM 0 HD2 LYS A 362 6.715 8.211 6.799 1.00 0.48 H new ATOM 0 HD3 LYS A 362 5.604 9.565 6.745 1.00 0.48 H new ATOM 0 HE2 LYS A 362 4.003 8.319 8.178 1.00 0.51 H new ATOM 0 HE3 LYS A 362 5.094 6.948 8.216 1.00 0.51 H new ATOM 0 HZ1 LYS A 362 5.089 8.798 10.083 1.00 1.23 H new ATOM 0 HZ2 LYS A 362 6.509 7.982 9.636 1.00 1.23 H new ATOM 0 HZ3 LYS A 362 6.196 9.537 9.029 1.00 1.23 H new ATOM 559 N ILE A 363 8.732 6.433 2.866 1.00 0.09 N ATOM 560 CA ILE A 363 9.240 5.802 1.671 1.00 0.09 C ATOM 561 C ILE A 363 9.410 4.319 1.930 1.00 0.08 C ATOM 562 O ILE A 363 10.012 3.928 2.929 1.00 0.10 O ATOM 563 CB ILE A 363 10.593 6.408 1.268 1.00 0.10 C ATOM 564 CG1 ILE A 363 10.412 7.860 0.829 1.00 0.16 C ATOM 565 CG2 ILE A 363 11.238 5.581 0.167 1.00 0.13 C ATOM 566 CD1 ILE A 363 11.648 8.705 1.020 1.00 0.46 C ATOM 0 H ILE A 363 9.437 6.575 3.590 1.00 0.09 H new ATOM 0 HA ILE A 363 8.532 5.965 0.858 1.00 0.09 H new ATOM 0 HB ILE A 363 11.257 6.394 2.133 1.00 0.10 H new ATOM 0 HG12 ILE A 363 10.126 7.880 -0.223 1.00 0.16 H new ATOM 0 HG13 ILE A 363 9.589 8.301 1.391 1.00 0.16 H new ATOM 0 HG21 ILE A 363 12.196 6.024 -0.107 1.00 0.13 H new ATOM 0 HG22 ILE A 363 11.397 4.563 0.522 1.00 0.13 H new ATOM 0 HG23 ILE A 363 10.584 5.563 -0.705 1.00 0.13 H new ATOM 0 HD11 ILE A 363 11.447 9.723 0.688 1.00 0.46 H new ATOM 0 HD12 ILE A 363 11.922 8.715 2.075 1.00 0.46 H new ATOM 0 HD13 ILE A 363 12.468 8.288 0.436 1.00 0.46 H new ATOM 578 N PHE A 364 8.894 3.500 1.043 1.00 0.09 N ATOM 579 CA PHE A 364 8.956 2.068 1.221 1.00 0.09 C ATOM 580 C PHE A 364 9.226 1.395 -0.116 1.00 0.10 C ATOM 581 O PHE A 364 8.801 1.872 -1.169 1.00 0.13 O ATOM 582 CB PHE A 364 7.656 1.530 1.838 1.00 0.09 C ATOM 583 CG PHE A 364 6.485 1.547 0.911 1.00 0.08 C ATOM 584 CD1 PHE A 364 5.709 2.673 0.794 1.00 0.13 C ATOM 585 CD2 PHE A 364 6.167 0.431 0.163 1.00 0.12 C ATOM 586 CE1 PHE A 364 4.622 2.695 -0.060 1.00 0.14 C ATOM 587 CE2 PHE A 364 5.087 0.439 -0.692 1.00 0.12 C ATOM 588 CZ PHE A 364 4.311 1.572 -0.806 1.00 0.08 C ATOM 0 H PHE A 364 8.425 3.802 0.189 1.00 0.09 H new ATOM 0 HA PHE A 364 9.771 1.840 1.909 1.00 0.09 H new ATOM 0 HB2 PHE A 364 7.823 0.507 2.175 1.00 0.09 H new ATOM 0 HB3 PHE A 364 7.414 2.121 2.721 1.00 0.09 H new ATOM 0 HD1 PHE A 364 5.950 3.551 1.375 1.00 0.13 H new ATOM 0 HD2 PHE A 364 6.772 -0.459 0.249 1.00 0.12 H new ATOM 0 HE1 PHE A 364 4.018 3.586 -0.145 1.00 0.14 H new ATOM 0 HE2 PHE A 364 4.849 -0.441 -1.272 1.00 0.12 H new ATOM 0 HZ PHE A 364 3.463 1.583 -1.475 1.00 0.08 H new ATOM 598 N ARG A 365 9.965 0.317 -0.066 1.00 0.10 N ATOM 599 CA ARG A 365 10.206 -0.508 -1.222 1.00 0.12 C ATOM 600 C ARG A 365 9.317 -1.734 -1.148 1.00 0.11 C ATOM 601 O ARG A 365 9.212 -2.350 -0.087 1.00 0.18 O ATOM 602 CB ARG A 365 11.657 -0.971 -1.210 1.00 0.17 C ATOM 603 CG ARG A 365 12.061 -1.745 -2.441 1.00 0.17 C ATOM 604 CD ARG A 365 12.584 -0.819 -3.503 1.00 0.31 C ATOM 605 NE ARG A 365 13.842 -0.206 -3.068 1.00 0.77 N ATOM 606 CZ ARG A 365 15.044 -0.528 -3.534 1.00 0.63 C ATOM 607 NH1 ARG A 365 15.175 -1.465 -4.462 1.00 1.48 N ATOM 608 NH2 ARG A 365 16.117 0.066 -3.035 1.00 0.99 N ATOM 0 H ARG A 365 10.420 -0.016 0.784 1.00 0.10 H new ATOM 0 HA ARG A 365 9.996 0.061 -2.128 1.00 0.12 H new ATOM 0 HB2 ARG A 365 12.305 -0.100 -1.111 1.00 0.17 H new ATOM 0 HB3 ARG A 365 11.822 -1.593 -0.331 1.00 0.17 H new ATOM 0 HG2 ARG A 365 12.825 -2.477 -2.182 1.00 0.17 H new ATOM 0 HG3 ARG A 365 11.205 -2.300 -2.825 1.00 0.17 H new ATOM 0 HD2 ARG A 365 12.741 -1.370 -4.430 1.00 0.31 H new ATOM 0 HD3 ARG A 365 11.848 -0.044 -3.714 1.00 0.31 H new ATOM 0 HE ARG A 365 13.791 0.522 -2.355 1.00 0.77 H new ATOM 0 HH11 ARG A 365 14.350 -1.944 -4.823 1.00 1.48 H new ATOM 0 HH12 ARG A 365 16.101 -1.707 -4.815 1.00 1.48 H new ATOM 0 HH21 ARG A 365 16.017 0.765 -2.299 1.00 0.99 H new ATOM 0 HH22 ARG A 365 17.043 -0.175 -3.387 1.00 0.99 H new ATOM 622 N ILE A 366 8.680 -2.102 -2.244 1.00 0.07 N ATOM 623 CA ILE A 366 8.037 -3.385 -2.298 1.00 0.06 C ATOM 624 C ILE A 366 9.083 -4.405 -2.676 1.00 0.07 C ATOM 625 O ILE A 366 9.525 -4.489 -3.816 1.00 0.10 O ATOM 626 CB ILE A 366 6.845 -3.403 -3.266 1.00 0.06 C ATOM 627 CG1 ILE A 366 5.684 -2.622 -2.634 1.00 0.07 C ATOM 628 CG2 ILE A 366 6.442 -4.840 -3.595 1.00 0.07 C ATOM 629 CD1 ILE A 366 4.584 -2.280 -3.599 1.00 0.09 C ATOM 0 H ILE A 366 8.599 -1.538 -3.090 1.00 0.07 H new ATOM 0 HA ILE A 366 7.615 -3.623 -1.322 1.00 0.06 H new ATOM 0 HB ILE A 366 7.122 -2.926 -4.206 1.00 0.06 H new ATOM 0 HG12 ILE A 366 5.267 -3.209 -1.816 1.00 0.07 H new ATOM 0 HG13 ILE A 366 6.072 -1.701 -2.200 1.00 0.07 H new ATOM 0 HG21 ILE A 366 5.596 -4.832 -4.282 1.00 0.07 H new ATOM 0 HG22 ILE A 366 7.282 -5.356 -4.060 1.00 0.07 H new ATOM 0 HG23 ILE A 366 6.160 -5.358 -2.678 1.00 0.07 H new ATOM 0 HD11 ILE A 366 3.801 -1.729 -3.078 1.00 0.09 H new ATOM 0 HD12 ILE A 366 4.985 -1.665 -4.405 1.00 0.09 H new ATOM 0 HD13 ILE A 366 4.167 -3.197 -4.015 1.00 0.09 H new ATOM 641 N VAL A 367 9.515 -5.129 -1.680 1.00 0.07 N ATOM 642 CA VAL A 367 10.657 -6.003 -1.803 1.00 0.08 C ATOM 643 C VAL A 367 10.312 -7.240 -2.622 1.00 0.09 C ATOM 644 O VAL A 367 11.059 -7.640 -3.521 1.00 0.12 O ATOM 645 CB VAL A 367 11.157 -6.392 -0.409 1.00 0.09 C ATOM 646 CG1 VAL A 367 12.326 -7.337 -0.504 1.00 0.12 C ATOM 647 CG2 VAL A 367 11.529 -5.147 0.376 1.00 0.10 C ATOM 0 H VAL A 367 9.085 -5.132 -0.755 1.00 0.07 H new ATOM 0 HA VAL A 367 11.451 -5.474 -2.329 1.00 0.08 H new ATOM 0 HB VAL A 367 10.355 -6.908 0.118 1.00 0.09 H new ATOM 0 HG11 VAL A 367 12.664 -7.599 0.498 1.00 0.12 H new ATOM 0 HG12 VAL A 367 12.022 -8.240 -1.032 1.00 0.12 H new ATOM 0 HG13 VAL A 367 13.140 -6.856 -1.047 1.00 0.12 H new ATOM 0 HG21 VAL A 367 11.883 -5.434 1.366 1.00 0.10 H new ATOM 0 HG22 VAL A 367 12.317 -4.607 -0.149 1.00 0.10 H new ATOM 0 HG23 VAL A 367 10.654 -4.505 0.476 1.00 0.10 H new ATOM 657 N ASP A 368 9.170 -7.823 -2.318 1.00 0.08 N ATOM 658 CA ASP A 368 8.655 -8.946 -3.079 1.00 0.09 C ATOM 659 C ASP A 368 7.154 -8.795 -3.246 1.00 0.08 C ATOM 660 O ASP A 368 6.359 -9.222 -2.410 1.00 0.09 O ATOM 661 CB ASP A 368 9.000 -10.273 -2.419 1.00 0.12 C ATOM 662 CG ASP A 368 8.609 -11.466 -3.275 1.00 0.22 C ATOM 663 OD1 ASP A 368 7.397 -11.755 -3.380 1.00 0.45 O ATOM 664 OD2 ASP A 368 9.504 -12.122 -3.848 1.00 0.78 O ATOM 0 H ASP A 368 8.575 -7.535 -1.541 1.00 0.08 H new ATOM 0 HA ASP A 368 9.127 -8.948 -4.062 1.00 0.09 H new ATOM 0 HB2 ASP A 368 10.071 -10.308 -2.219 1.00 0.12 H new ATOM 0 HB3 ASP A 368 8.494 -10.339 -1.456 1.00 0.12 H new ATOM 669 N PRO A 369 6.776 -8.145 -4.339 1.00 0.09 N ATOM 670 CA PRO A 369 5.388 -7.807 -4.663 1.00 0.10 C ATOM 671 C PRO A 369 4.498 -9.024 -4.821 1.00 0.12 C ATOM 672 O PRO A 369 3.310 -8.972 -4.525 1.00 0.14 O ATOM 673 CB PRO A 369 5.510 -7.068 -5.999 1.00 0.12 C ATOM 674 CG PRO A 369 6.824 -7.486 -6.546 1.00 0.12 C ATOM 675 CD PRO A 369 7.704 -7.665 -5.358 1.00 0.10 C ATOM 0 HA PRO A 369 4.924 -7.226 -3.866 1.00 0.10 H new ATOM 0 HB2 PRO A 369 4.697 -7.336 -6.674 1.00 0.12 H new ATOM 0 HB3 PRO A 369 5.466 -5.988 -5.859 1.00 0.12 H new ATOM 0 HG2 PRO A 369 6.737 -8.412 -7.114 1.00 0.12 H new ATOM 0 HG3 PRO A 369 7.226 -6.733 -7.224 1.00 0.12 H new ATOM 0 HD2 PRO A 369 8.501 -8.383 -5.550 1.00 0.10 H new ATOM 0 HD3 PRO A 369 8.181 -6.730 -5.063 1.00 0.10 H new ATOM 683 N ASN A 370 5.082 -10.116 -5.279 1.00 0.13 N ATOM 684 CA ASN A 370 4.338 -11.343 -5.511 1.00 0.17 C ATOM 685 C ASN A 370 3.821 -11.882 -4.193 1.00 0.17 C ATOM 686 O ASN A 370 2.670 -12.303 -4.073 1.00 0.21 O ATOM 687 CB ASN A 370 5.247 -12.374 -6.164 1.00 0.21 C ATOM 688 CG ASN A 370 4.481 -13.417 -6.959 1.00 0.36 C ATOM 689 OD1 ASN A 370 4.205 -13.234 -8.144 1.00 0.62 O ATOM 690 ND2 ASN A 370 4.143 -14.521 -6.316 1.00 0.59 N ATOM 0 H ASN A 370 6.076 -10.179 -5.499 1.00 0.13 H new ATOM 0 HA ASN A 370 3.495 -11.135 -6.170 1.00 0.17 H new ATOM 0 HB2 ASN A 370 5.950 -11.865 -6.824 1.00 0.21 H new ATOM 0 HB3 ASN A 370 5.836 -12.872 -5.394 1.00 0.21 H new ATOM 0 HD21 ASN A 370 3.635 -15.259 -6.803 1.00 0.59 H new ATOM 0 HD22 ASN A 370 4.390 -14.635 -5.333 1.00 0.59 H new ATOM 697 N GLY A 371 4.690 -11.854 -3.202 1.00 0.16 N ATOM 698 CA GLY A 371 4.315 -12.289 -1.876 1.00 0.19 C ATOM 699 C GLY A 371 3.583 -11.212 -1.117 1.00 0.13 C ATOM 700 O GLY A 371 2.817 -11.500 -0.204 1.00 0.13 O ATOM 0 H GLY A 371 5.655 -11.536 -3.291 1.00 0.16 H new ATOM 0 HA2 GLY A 371 3.684 -13.174 -1.949 1.00 0.19 H new ATOM 0 HA3 GLY A 371 5.208 -12.580 -1.323 1.00 0.19 H new ATOM 704 N LEU A 372 3.804 -9.966 -1.498 1.00 0.10 N ATOM 705 CA LEU A 372 3.137 -8.853 -0.840 1.00 0.08 C ATOM 706 C LEU A 372 1.681 -8.877 -1.263 1.00 0.11 C ATOM 707 O LEU A 372 0.772 -8.599 -0.485 1.00 0.13 O ATOM 708 CB LEU A 372 3.804 -7.522 -1.218 1.00 0.08 C ATOM 709 CG LEU A 372 3.679 -6.394 -0.181 1.00 0.08 C ATOM 710 CD1 LEU A 372 2.269 -5.836 -0.121 1.00 0.10 C ATOM 711 CD2 LEU A 372 4.082 -6.910 1.187 1.00 0.09 C ATOM 0 H LEU A 372 4.435 -9.699 -2.254 1.00 0.10 H new ATOM 0 HA LEU A 372 3.212 -8.948 0.243 1.00 0.08 H new ATOM 0 HB2 LEU A 372 4.863 -7.707 -1.401 1.00 0.08 H new ATOM 0 HB3 LEU A 372 3.374 -7.176 -2.158 1.00 0.08 H new ATOM 0 HG LEU A 372 4.344 -5.587 -0.486 1.00 0.08 H new ATOM 0 HD11 LEU A 372 2.224 -5.041 0.624 1.00 0.10 H new ATOM 0 HD12 LEU A 372 1.995 -5.435 -1.097 1.00 0.10 H new ATOM 0 HD13 LEU A 372 1.575 -6.630 0.153 1.00 0.10 H new ATOM 0 HD21 LEU A 372 3.992 -6.108 1.919 1.00 0.09 H new ATOM 0 HD22 LEU A 372 3.429 -7.736 1.471 1.00 0.09 H new ATOM 0 HD23 LEU A 372 5.114 -7.258 1.155 1.00 0.09 H new ATOM 723 N ALA A 373 1.482 -9.245 -2.513 1.00 0.12 N ATOM 724 CA ALA A 373 0.156 -9.429 -3.062 1.00 0.15 C ATOM 725 C ALA A 373 -0.491 -10.672 -2.474 1.00 0.14 C ATOM 726 O ALA A 373 -1.708 -10.737 -2.311 1.00 0.16 O ATOM 727 CB ALA A 373 0.244 -9.530 -4.561 1.00 0.20 C ATOM 0 H ALA A 373 2.236 -9.425 -3.176 1.00 0.12 H new ATOM 0 HA ALA A 373 -0.465 -8.572 -2.802 1.00 0.15 H new ATOM 0 HB1 ALA A 373 -0.755 -9.669 -4.976 1.00 0.20 H new ATOM 0 HB2 ALA A 373 0.680 -8.615 -4.962 1.00 0.20 H new ATOM 0 HB3 ALA A 373 0.871 -10.380 -4.832 1.00 0.20 H new ATOM 733 N ARG A 374 0.342 -11.657 -2.155 1.00 0.14 N ATOM 734 CA ARG A 374 -0.104 -12.852 -1.468 1.00 0.17 C ATOM 735 C ARG A 374 -0.701 -12.452 -0.118 1.00 0.14 C ATOM 736 O ARG A 374 -1.697 -13.011 0.332 1.00 0.16 O ATOM 737 CB ARG A 374 1.079 -13.823 -1.308 1.00 0.24 C ATOM 738 CG ARG A 374 1.372 -14.199 0.121 1.00 0.28 C ATOM 739 CD ARG A 374 2.378 -15.333 0.216 1.00 0.47 C ATOM 740 NE ARG A 374 2.499 -15.831 1.582 1.00 1.44 N ATOM 741 CZ ARG A 374 3.598 -16.387 2.085 1.00 2.04 C ATOM 742 NH1 ARG A 374 4.708 -16.471 1.361 1.00 2.01 N ATOM 743 NH2 ARG A 374 3.586 -16.838 3.328 1.00 3.03 N ATOM 0 H ARG A 374 1.340 -11.645 -2.367 1.00 0.14 H new ATOM 0 HA ARG A 374 -0.875 -13.364 -2.044 1.00 0.17 H new ATOM 0 HB2 ARG A 374 0.872 -14.730 -1.877 1.00 0.24 H new ATOM 0 HB3 ARG A 374 1.969 -13.370 -1.744 1.00 0.24 H new ATOM 0 HG2 ARG A 374 1.755 -13.329 0.654 1.00 0.28 H new ATOM 0 HG3 ARG A 374 0.446 -14.493 0.616 1.00 0.28 H new ATOM 0 HD2 ARG A 374 2.073 -16.146 -0.443 1.00 0.47 H new ATOM 0 HD3 ARG A 374 3.351 -14.987 -0.133 1.00 0.47 H new ATOM 0 HE ARG A 374 1.686 -15.747 2.193 1.00 1.44 H new ATOM 0 HH11 ARG A 374 4.724 -16.107 0.408 1.00 2.01 H new ATOM 0 HH12 ARG A 374 5.544 -16.899 1.758 1.00 2.01 H new ATOM 0 HH21 ARG A 374 2.740 -16.758 3.891 1.00 3.03 H new ATOM 0 HH22 ARG A 374 4.423 -17.266 3.723 1.00 3.03 H new ATOM 757 N LEU A 375 -0.085 -11.451 0.494 1.00 0.13 N ATOM 758 CA LEU A 375 -0.580 -10.855 1.734 1.00 0.15 C ATOM 759 C LEU A 375 -1.899 -10.142 1.478 1.00 0.16 C ATOM 760 O LEU A 375 -2.857 -10.300 2.229 1.00 0.18 O ATOM 761 CB LEU A 375 0.437 -9.844 2.276 1.00 0.17 C ATOM 762 CG LEU A 375 1.544 -10.390 3.182 1.00 0.16 C ATOM 763 CD1 LEU A 375 1.952 -11.792 2.784 1.00 0.29 C ATOM 764 CD2 LEU A 375 2.751 -9.475 3.112 1.00 0.15 C ATOM 0 H LEU A 375 0.775 -11.026 0.147 1.00 0.13 H new ATOM 0 HA LEU A 375 -0.729 -11.650 2.465 1.00 0.15 H new ATOM 0 HB2 LEU A 375 0.908 -9.348 1.427 1.00 0.17 H new ATOM 0 HB3 LEU A 375 -0.108 -9.079 2.830 1.00 0.17 H new ATOM 0 HG LEU A 375 1.157 -10.428 4.200 1.00 0.16 H new ATOM 0 HD11 LEU A 375 2.739 -12.145 3.450 1.00 0.29 H new ATOM 0 HD12 LEU A 375 1.091 -12.456 2.857 1.00 0.29 H new ATOM 0 HD13 LEU A 375 2.320 -11.786 1.758 1.00 0.29 H new ATOM 0 HD21 LEU A 375 3.540 -9.863 3.757 1.00 0.15 H new ATOM 0 HD22 LEU A 375 3.113 -9.428 2.085 1.00 0.15 H new ATOM 0 HD23 LEU A 375 2.470 -8.476 3.444 1.00 0.15 H new ATOM 776 N TRP A 376 -1.928 -9.358 0.409 1.00 0.16 N ATOM 777 CA TRP A 376 -3.116 -8.604 0.028 1.00 0.18 C ATOM 778 C TRP A 376 -4.292 -9.545 -0.199 1.00 0.20 C ATOM 779 O TRP A 376 -5.399 -9.308 0.287 1.00 0.25 O ATOM 780 CB TRP A 376 -2.833 -7.793 -1.238 1.00 0.19 C ATOM 781 CG TRP A 376 -3.863 -6.748 -1.549 1.00 0.18 C ATOM 782 CD1 TRP A 376 -4.346 -6.414 -2.783 1.00 0.20 C ATOM 783 CD2 TRP A 376 -4.532 -5.893 -0.616 1.00 0.18 C ATOM 784 NE1 TRP A 376 -5.259 -5.396 -2.673 1.00 0.21 N ATOM 785 CE2 TRP A 376 -5.396 -5.064 -1.357 1.00 0.21 C ATOM 786 CE3 TRP A 376 -4.486 -5.746 0.772 1.00 0.19 C ATOM 787 CZ2 TRP A 376 -6.204 -4.107 -0.756 1.00 0.24 C ATOM 788 CZ3 TRP A 376 -5.287 -4.793 1.366 1.00 0.22 C ATOM 789 CH2 TRP A 376 -6.137 -3.989 0.602 1.00 0.24 C ATOM 0 H TRP A 376 -1.133 -9.227 -0.216 1.00 0.16 H new ATOM 0 HA TRP A 376 -3.374 -7.920 0.837 1.00 0.18 H new ATOM 0 HB2 TRP A 376 -1.862 -7.309 -1.135 1.00 0.19 H new ATOM 0 HB3 TRP A 376 -2.760 -8.477 -2.084 1.00 0.19 H new ATOM 0 HD1 TRP A 376 -4.052 -6.883 -3.710 1.00 0.20 H new ATOM 0 HE1 TRP A 376 -5.755 -4.958 -3.449 1.00 0.21 H new ATOM 0 HE3 TRP A 376 -3.835 -6.367 1.369 1.00 0.19 H new ATOM 0 HZ2 TRP A 376 -6.860 -3.480 -1.341 1.00 0.24 H new ATOM 0 HZ3 TRP A 376 -5.257 -4.666 2.438 1.00 0.22 H new ATOM 0 HH2 TRP A 376 -6.756 -3.256 1.098 1.00 0.24 H new ATOM 800 N GLY A 377 -4.039 -10.618 -0.933 1.00 0.21 N ATOM 801 CA GLY A 377 -5.056 -11.621 -1.155 1.00 0.27 C ATOM 802 C GLY A 377 -5.433 -12.327 0.126 1.00 0.30 C ATOM 803 O GLY A 377 -6.596 -12.615 0.358 1.00 0.38 O ATOM 0 H GLY A 377 -3.143 -10.811 -1.380 1.00 0.21 H new ATOM 0 HA2 GLY A 377 -5.941 -11.153 -1.587 1.00 0.27 H new ATOM 0 HA3 GLY A 377 -4.696 -12.351 -1.880 1.00 0.27 H new ATOM 807 N ASN A 378 -4.441 -12.590 0.961 1.00 0.27 N ATOM 808 CA ASN A 378 -4.657 -13.222 2.256 1.00 0.30 C ATOM 809 C ASN A 378 -5.535 -12.360 3.158 1.00 0.30 C ATOM 810 O ASN A 378 -6.404 -12.866 3.866 1.00 0.35 O ATOM 811 CB ASN A 378 -3.318 -13.495 2.921 1.00 0.32 C ATOM 812 CG ASN A 378 -2.878 -14.929 2.738 1.00 0.38 C ATOM 813 OD1 ASN A 378 -3.695 -15.850 2.724 1.00 0.76 O ATOM 814 ND2 ASN A 378 -1.590 -15.121 2.568 1.00 0.42 N ATOM 0 H ASN A 378 -3.464 -12.373 0.762 1.00 0.27 H new ATOM 0 HA ASN A 378 -5.179 -14.165 2.095 1.00 0.30 H new ATOM 0 HB2 ASN A 378 -2.563 -12.828 2.504 1.00 0.32 H new ATOM 0 HB3 ASN A 378 -3.389 -13.270 3.985 1.00 0.32 H new ATOM 0 HD21 ASN A 378 -1.230 -16.063 2.417 1.00 0.42 H new ATOM 0 HD22 ASN A 378 -0.949 -14.328 2.587 1.00 0.42 H new ATOM 821 N HIS A 379 -5.304 -11.057 3.106 1.00 0.28 N ATOM 822 CA HIS A 379 -6.037 -10.088 3.917 1.00 0.30 C ATOM 823 C HIS A 379 -7.481 -9.945 3.428 1.00 0.32 C ATOM 824 O HIS A 379 -8.400 -9.725 4.217 1.00 0.38 O ATOM 825 CB HIS A 379 -5.302 -8.744 3.846 1.00 0.28 C ATOM 826 CG HIS A 379 -5.932 -7.613 4.601 1.00 0.32 C ATOM 827 ND1 HIS A 379 -5.655 -7.391 5.929 1.00 0.43 N ATOM 828 CD2 HIS A 379 -6.755 -6.637 4.151 1.00 0.31 C ATOM 829 CE1 HIS A 379 -6.307 -6.288 6.251 1.00 0.46 C ATOM 830 NE2 HIS A 379 -6.990 -5.795 5.206 1.00 0.38 N ATOM 0 H HIS A 379 -4.600 -10.637 2.499 1.00 0.28 H new ATOM 0 HA HIS A 379 -6.080 -10.432 4.950 1.00 0.30 H new ATOM 0 HB2 HIS A 379 -4.288 -8.886 4.221 1.00 0.28 H new ATOM 0 HB3 HIS A 379 -5.217 -8.453 2.799 1.00 0.28 H new ATOM 0 HD2 HIS A 379 -7.151 -6.540 3.151 1.00 0.31 H new ATOM 0 HE1 HIS A 379 -6.292 -5.839 7.233 1.00 0.46 H new ATOM 0 HE2 HIS A 379 -7.571 -4.957 5.199 1.00 0.38 H new ATOM 838 N LYS A 380 -7.674 -10.085 2.125 1.00 0.32 N ATOM 839 CA LYS A 380 -8.989 -9.903 1.521 1.00 0.36 C ATOM 840 C LYS A 380 -9.648 -11.240 1.196 1.00 0.41 C ATOM 841 O LYS A 380 -10.728 -11.285 0.610 1.00 0.45 O ATOM 842 CB LYS A 380 -8.854 -9.055 0.262 1.00 0.36 C ATOM 843 CG LYS A 380 -8.547 -7.599 0.561 1.00 0.38 C ATOM 844 CD LYS A 380 -7.795 -6.927 -0.570 1.00 0.63 C ATOM 845 CE LYS A 380 -8.459 -7.120 -1.916 1.00 0.33 C ATOM 846 NZ LYS A 380 -8.565 -5.846 -2.675 1.00 0.77 N ATOM 0 H LYS A 380 -6.936 -10.325 1.463 1.00 0.32 H new ATOM 0 HA LYS A 380 -9.630 -9.392 2.239 1.00 0.36 H new ATOM 0 HB2 LYS A 380 -8.063 -9.467 -0.364 1.00 0.36 H new ATOM 0 HB3 LYS A 380 -9.779 -9.116 -0.312 1.00 0.36 H new ATOM 0 HG2 LYS A 380 -9.479 -7.063 0.744 1.00 0.38 H new ATOM 0 HG3 LYS A 380 -7.957 -7.534 1.476 1.00 0.38 H new ATOM 0 HD2 LYS A 380 -7.712 -5.860 -0.361 1.00 0.63 H new ATOM 0 HD3 LYS A 380 -6.780 -7.323 -0.611 1.00 0.63 H new ATOM 0 HE2 LYS A 380 -7.890 -7.843 -2.500 1.00 0.33 H new ATOM 0 HE3 LYS A 380 -9.455 -7.540 -1.772 1.00 0.33 H new ATOM 0 HZ1 LYS A 380 -9.026 -6.024 -3.590 1.00 0.77 H new ATOM 0 HZ2 LYS A 380 -9.130 -5.163 -2.130 1.00 0.77 H new ATOM 0 HZ3 LYS A 380 -7.614 -5.458 -2.836 1.00 0.77 H new ATOM 860 N ASN A 381 -8.976 -12.319 1.588 1.00 0.44 N ATOM 861 CA ASN A 381 -9.445 -13.688 1.363 1.00 0.52 C ATOM 862 C ASN A 381 -9.647 -13.979 -0.131 1.00 0.53 C ATOM 863 O ASN A 381 -10.532 -14.742 -0.521 1.00 0.60 O ATOM 864 CB ASN A 381 -10.737 -13.953 2.147 1.00 0.58 C ATOM 865 CG ASN A 381 -11.076 -15.431 2.230 1.00 1.20 C ATOM 866 OD1 ASN A 381 -10.189 -16.285 2.251 1.00 1.87 O ATOM 867 ND2 ASN A 381 -12.361 -15.745 2.277 1.00 2.01 N ATOM 0 H ASN A 381 -8.082 -12.270 2.076 1.00 0.44 H new ATOM 0 HA ASN A 381 -8.672 -14.365 1.728 1.00 0.52 H new ATOM 0 HB2 ASN A 381 -10.635 -13.550 3.155 1.00 0.58 H new ATOM 0 HB3 ASN A 381 -11.561 -13.421 1.672 1.00 0.58 H new ATOM 0 HD21 ASN A 381 -12.645 -16.723 2.333 1.00 2.01 H new ATOM 0 HD22 ASN A 381 -13.067 -15.009 2.257 1.00 2.01 H new ATOM 874 N ARG A 382 -8.804 -13.383 -0.966 1.00 0.50 N ATOM 875 CA ARG A 382 -8.877 -13.608 -2.403 1.00 0.55 C ATOM 876 C ARG A 382 -7.719 -14.481 -2.850 1.00 0.68 C ATOM 877 O ARG A 382 -6.575 -14.281 -2.443 1.00 0.78 O ATOM 878 CB ARG A 382 -8.832 -12.299 -3.195 1.00 0.49 C ATOM 879 CG ARG A 382 -9.755 -11.213 -2.675 1.00 0.48 C ATOM 880 CD ARG A 382 -11.215 -11.578 -2.869 1.00 0.57 C ATOM 881 NE ARG A 382 -12.093 -10.456 -2.547 1.00 0.65 N ATOM 882 CZ ARG A 382 -13.339 -10.582 -2.094 1.00 1.11 C ATOM 883 NH1 ARG A 382 -13.874 -11.785 -1.925 1.00 1.69 N ATOM 884 NH2 ARG A 382 -14.049 -9.497 -1.810 1.00 1.27 N ATOM 0 H ARG A 382 -8.065 -12.743 -0.674 1.00 0.50 H new ATOM 0 HA ARG A 382 -9.830 -14.099 -2.601 1.00 0.55 H new ATOM 0 HB2 ARG A 382 -7.809 -11.922 -3.190 1.00 0.49 H new ATOM 0 HB3 ARG A 382 -9.089 -12.509 -4.233 1.00 0.49 H new ATOM 0 HG2 ARG A 382 -9.559 -11.045 -1.616 1.00 0.48 H new ATOM 0 HG3 ARG A 382 -9.542 -10.277 -3.191 1.00 0.48 H new ATOM 0 HD2 ARG A 382 -11.380 -11.886 -3.901 1.00 0.57 H new ATOM 0 HD3 ARG A 382 -11.465 -12.431 -2.238 1.00 0.57 H new ATOM 0 HE ARG A 382 -11.727 -9.513 -2.678 1.00 0.65 H new ATOM 0 HH11 ARG A 382 -13.330 -12.620 -2.142 1.00 1.69 H new ATOM 0 HH12 ARG A 382 -14.829 -11.874 -1.578 1.00 1.69 H new ATOM 0 HH21 ARG A 382 -13.640 -8.572 -1.939 1.00 1.27 H new ATOM 0 HH22 ARG A 382 -15.004 -9.589 -1.463 1.00 1.27 H new ATOM 898 N THR A 383 -8.030 -15.442 -3.688 1.00 0.76 N ATOM 899 CA THR A 383 -7.036 -16.324 -4.254 1.00 0.95 C ATOM 900 C THR A 383 -6.430 -15.689 -5.500 1.00 0.94 C ATOM 901 O THR A 383 -5.226 -15.760 -5.737 1.00 1.22 O ATOM 902 CB THR A 383 -7.679 -17.671 -4.624 1.00 1.17 C ATOM 903 OG1 THR A 383 -8.200 -18.298 -3.443 1.00 1.24 O ATOM 904 CG2 THR A 383 -6.683 -18.584 -5.319 1.00 1.37 C ATOM 0 H THR A 383 -8.983 -15.635 -3.998 1.00 0.76 H new ATOM 0 HA THR A 383 -6.251 -16.492 -3.516 1.00 0.95 H new ATOM 0 HB THR A 383 -8.496 -17.485 -5.321 1.00 1.17 H new ATOM 0 HG1 THR A 383 -8.611 -19.155 -3.682 1.00 1.24 H new ATOM 0 HG21 THR A 383 -7.167 -19.528 -5.568 1.00 1.37 H new ATOM 0 HG22 THR A 383 -6.328 -18.107 -6.232 1.00 1.37 H new ATOM 0 HG23 THR A 383 -5.839 -18.773 -4.656 1.00 1.37 H new ATOM 912 N ASN A 384 -7.285 -15.038 -6.268 1.00 0.84 N ATOM 913 CA ASN A 384 -6.903 -14.439 -7.533 1.00 0.81 C ATOM 914 C ASN A 384 -6.394 -13.015 -7.363 1.00 0.64 C ATOM 915 O ASN A 384 -6.580 -12.170 -8.242 1.00 0.77 O ATOM 916 CB ASN A 384 -8.108 -14.435 -8.456 1.00 0.89 C ATOM 917 CG ASN A 384 -8.327 -15.765 -9.149 1.00 1.40 C ATOM 918 OD1 ASN A 384 -9.027 -16.639 -8.639 1.00 2.21 O ATOM 919 ND2 ASN A 384 -7.737 -15.925 -10.323 1.00 1.70 N ATOM 0 H ASN A 384 -8.269 -14.910 -6.030 1.00 0.84 H new ATOM 0 HA ASN A 384 -6.090 -15.030 -7.955 1.00 0.81 H new ATOM 0 HB2 ASN A 384 -8.998 -14.180 -7.881 1.00 0.89 H new ATOM 0 HB3 ASN A 384 -7.980 -13.656 -9.208 1.00 0.89 H new ATOM 0 HD21 ASN A 384 -7.855 -16.797 -10.838 1.00 1.70 H new ATOM 0 HD22 ASN A 384 -7.164 -15.176 -10.712 1.00 1.70 H new ATOM 926 N MET A 385 -5.752 -12.742 -6.245 1.00 0.55 N ATOM 927 CA MET A 385 -5.220 -11.417 -5.997 1.00 0.42 C ATOM 928 C MET A 385 -3.749 -11.379 -6.365 1.00 0.53 C ATOM 929 O MET A 385 -2.960 -12.176 -5.863 1.00 0.94 O ATOM 930 CB MET A 385 -5.409 -11.024 -4.534 1.00 0.47 C ATOM 931 CG MET A 385 -4.984 -9.599 -4.233 1.00 0.92 C ATOM 932 SD MET A 385 -6.015 -8.382 -5.072 1.00 2.54 S ATOM 933 CE MET A 385 -7.657 -8.968 -4.667 1.00 3.18 C ATOM 0 H MET A 385 -5.587 -13.416 -5.497 1.00 0.55 H new ATOM 0 HA MET A 385 -5.763 -10.701 -6.614 1.00 0.42 H new ATOM 0 HB2 MET A 385 -6.458 -11.147 -4.265 1.00 0.47 H new ATOM 0 HB3 MET A 385 -4.837 -11.706 -3.905 1.00 0.47 H new ATOM 0 HG2 MET A 385 -5.029 -9.429 -3.157 1.00 0.92 H new ATOM 0 HG3 MET A 385 -3.946 -9.461 -4.535 1.00 0.92 H new ATOM 0 HE1 MET A 385 -8.348 -8.126 -4.643 1.00 3.18 H new ATOM 0 HE2 MET A 385 -7.984 -9.684 -5.421 1.00 3.18 H new ATOM 0 HE3 MET A 385 -7.640 -9.452 -3.690 1.00 3.18 H new ATOM 943 N THR A 386 -3.382 -10.465 -7.246 1.00 0.23 N ATOM 944 CA THR A 386 -2.011 -10.386 -7.701 1.00 0.24 C ATOM 945 C THR A 386 -1.442 -9.017 -7.417 1.00 0.16 C ATOM 946 O THR A 386 -2.166 -8.123 -6.962 1.00 0.18 O ATOM 947 CB THR A 386 -1.880 -10.678 -9.211 1.00 0.33 C ATOM 948 OG1 THR A 386 -2.483 -9.629 -9.976 1.00 0.34 O ATOM 949 CG2 THR A 386 -2.543 -11.993 -9.559 1.00 0.44 C ATOM 0 H THR A 386 -4.010 -9.774 -7.656 1.00 0.23 H new ATOM 0 HA THR A 386 -1.453 -11.147 -7.155 1.00 0.24 H new ATOM 0 HB THR A 386 -0.819 -10.738 -9.451 1.00 0.33 H new ATOM 0 HG1 THR A 386 -2.534 -9.898 -10.917 1.00 0.34 H new ATOM 0 HG21 THR A 386 -2.440 -12.181 -10.628 1.00 0.44 H new ATOM 0 HG22 THR A 386 -2.067 -12.799 -9.001 1.00 0.44 H new ATOM 0 HG23 THR A 386 -3.601 -11.947 -9.299 1.00 0.44 H new ATOM 957 N TYR A 387 -0.161 -8.838 -7.683 1.00 0.16 N ATOM 958 CA TYR A 387 0.449 -7.532 -7.518 1.00 0.13 C ATOM 959 C TYR A 387 -0.185 -6.539 -8.480 1.00 0.14 C ATOM 960 O TYR A 387 -0.268 -5.352 -8.183 1.00 0.17 O ATOM 961 CB TYR A 387 1.955 -7.573 -7.736 1.00 0.15 C ATOM 962 CG TYR A 387 2.564 -6.222 -7.490 1.00 0.13 C ATOM 963 CD1 TYR A 387 2.469 -5.642 -6.236 1.00 0.12 C ATOM 964 CD2 TYR A 387 3.179 -5.502 -8.505 1.00 0.14 C ATOM 965 CE1 TYR A 387 2.969 -4.391 -5.996 1.00 0.12 C ATOM 966 CE2 TYR A 387 3.680 -4.238 -8.273 1.00 0.14 C ATOM 967 CZ TYR A 387 3.575 -3.684 -7.016 1.00 0.12 C ATOM 968 OH TYR A 387 4.070 -2.422 -6.781 1.00 0.13 O ATOM 0 H TYR A 387 0.470 -9.570 -8.010 1.00 0.16 H new ATOM 0 HA TYR A 387 0.273 -7.215 -6.490 1.00 0.13 H new ATOM 0 HB2 TYR A 387 2.404 -8.307 -7.067 1.00 0.15 H new ATOM 0 HB3 TYR A 387 2.171 -7.895 -8.755 1.00 0.15 H new ATOM 0 HD1 TYR A 387 1.992 -6.186 -5.434 1.00 0.12 H new ATOM 0 HD2 TYR A 387 3.266 -5.937 -9.490 1.00 0.14 H new ATOM 0 HE1 TYR A 387 2.890 -3.957 -5.010 1.00 0.12 H new ATOM 0 HE2 TYR A 387 4.152 -3.686 -9.072 1.00 0.14 H new ATOM 0 HH TYR A 387 4.464 -2.067 -7.605 1.00 0.13 H new ATOM 978 N GLU A 388 -0.642 -7.030 -9.627 1.00 0.17 N ATOM 979 CA GLU A 388 -1.340 -6.186 -10.583 1.00 0.24 C ATOM 980 C GLU A 388 -2.544 -5.538 -9.917 1.00 0.25 C ATOM 981 O GLU A 388 -2.755 -4.333 -10.035 1.00 0.31 O ATOM 982 CB GLU A 388 -1.807 -6.987 -11.792 1.00 0.30 C ATOM 983 CG GLU A 388 -2.530 -6.141 -12.818 1.00 0.44 C ATOM 984 CD GLU A 388 -3.217 -6.967 -13.877 1.00 1.53 C ATOM 985 OE1 GLU A 388 -2.534 -7.448 -14.799 1.00 1.96 O ATOM 986 OE2 GLU A 388 -4.452 -7.132 -13.795 1.00 2.21 O ATOM 0 H GLU A 388 -0.541 -8.004 -9.914 1.00 0.17 H new ATOM 0 HA GLU A 388 -0.644 -5.420 -10.923 1.00 0.24 H new ATOM 0 HB2 GLU A 388 -0.945 -7.461 -12.262 1.00 0.30 H new ATOM 0 HB3 GLU A 388 -2.468 -7.787 -11.458 1.00 0.30 H new ATOM 0 HG2 GLU A 388 -3.269 -5.518 -12.313 1.00 0.44 H new ATOM 0 HG3 GLU A 388 -1.817 -5.468 -13.294 1.00 0.44 H new ATOM 993 N LYS A 389 -3.324 -6.353 -9.208 1.00 0.23 N ATOM 994 CA LYS A 389 -4.492 -5.865 -8.484 1.00 0.28 C ATOM 995 C LYS A 389 -4.092 -4.819 -7.446 1.00 0.28 C ATOM 996 O LYS A 389 -4.797 -3.833 -7.236 1.00 0.40 O ATOM 997 CB LYS A 389 -5.234 -7.020 -7.810 1.00 0.32 C ATOM 998 CG LYS A 389 -6.088 -7.850 -8.759 1.00 0.45 C ATOM 999 CD LYS A 389 -5.258 -8.700 -9.702 1.00 0.33 C ATOM 1000 CE LYS A 389 -6.126 -9.424 -10.720 1.00 0.46 C ATOM 1001 NZ LYS A 389 -7.184 -10.248 -10.078 1.00 1.39 N ATOM 0 H LYS A 389 -3.166 -7.357 -9.121 1.00 0.23 H new ATOM 0 HA LYS A 389 -5.161 -5.396 -9.206 1.00 0.28 H new ATOM 0 HB2 LYS A 389 -4.506 -7.673 -7.328 1.00 0.32 H new ATOM 0 HB3 LYS A 389 -5.872 -6.618 -7.023 1.00 0.32 H new ATOM 0 HG2 LYS A 389 -6.746 -8.496 -8.178 1.00 0.45 H new ATOM 0 HG3 LYS A 389 -6.726 -7.186 -9.342 1.00 0.45 H new ATOM 0 HD2 LYS A 389 -4.537 -8.069 -10.222 1.00 0.33 H new ATOM 0 HD3 LYS A 389 -4.687 -9.429 -9.127 1.00 0.33 H new ATOM 0 HE2 LYS A 389 -6.590 -8.694 -11.383 1.00 0.46 H new ATOM 0 HE3 LYS A 389 -5.498 -10.063 -11.340 1.00 0.46 H new ATOM 0 HZ1 LYS A 389 -7.705 -10.774 -10.808 1.00 1.39 H new ATOM 0 HZ2 LYS A 389 -6.747 -10.918 -9.414 1.00 1.39 H new ATOM 0 HZ3 LYS A 389 -7.841 -9.629 -9.562 1.00 1.39 H new ATOM 1015 N MET A 390 -2.952 -5.044 -6.811 1.00 0.19 N ATOM 1016 CA MET A 390 -2.396 -4.101 -5.844 1.00 0.17 C ATOM 1017 C MET A 390 -1.949 -2.818 -6.533 1.00 0.16 C ATOM 1018 O MET A 390 -2.201 -1.715 -6.048 1.00 0.17 O ATOM 1019 CB MET A 390 -1.207 -4.741 -5.135 1.00 0.15 C ATOM 1020 CG MET A 390 -0.505 -3.810 -4.166 1.00 0.14 C ATOM 1021 SD MET A 390 0.802 -4.635 -3.247 1.00 0.18 S ATOM 1022 CE MET A 390 -0.129 -5.961 -2.490 1.00 1.57 C ATOM 0 H MET A 390 -2.386 -5.881 -6.948 1.00 0.19 H new ATOM 0 HA MET A 390 -3.170 -3.852 -5.118 1.00 0.17 H new ATOM 0 HB2 MET A 390 -1.549 -5.624 -4.595 1.00 0.15 H new ATOM 0 HB3 MET A 390 -0.490 -5.082 -5.882 1.00 0.15 H new ATOM 0 HG2 MET A 390 -0.083 -2.969 -4.716 1.00 0.14 H new ATOM 0 HG3 MET A 390 -1.234 -3.401 -3.467 1.00 0.14 H new ATOM 0 HE1 MET A 390 -0.117 -5.842 -1.407 1.00 1.57 H new ATOM 0 HE2 MET A 390 -1.159 -5.932 -2.847 1.00 1.57 H new ATOM 0 HE3 MET A 390 0.320 -6.918 -2.755 1.00 1.57 H new ATOM 1032 N SER A 391 -1.271 -2.978 -7.661 1.00 0.15 N ATOM 1033 CA SER A 391 -0.782 -1.852 -8.434 1.00 0.17 C ATOM 1034 C SER A 391 -1.937 -0.933 -8.828 1.00 0.19 C ATOM 1035 O SER A 391 -1.794 0.284 -8.801 1.00 0.21 O ATOM 1036 CB SER A 391 -0.037 -2.348 -9.680 1.00 0.23 C ATOM 1037 OG SER A 391 0.576 -1.277 -10.381 1.00 1.02 O ATOM 0 H SER A 391 -1.047 -3.889 -8.062 1.00 0.15 H new ATOM 0 HA SER A 391 -0.086 -1.282 -7.819 1.00 0.17 H new ATOM 0 HB2 SER A 391 0.722 -3.074 -9.387 1.00 0.23 H new ATOM 0 HB3 SER A 391 -0.734 -2.865 -10.340 1.00 0.23 H new ATOM 0 HG SER A 391 1.043 -1.626 -11.168 1.00 1.02 H new ATOM 1043 N ARG A 392 -3.087 -1.522 -9.164 1.00 0.21 N ATOM 1044 CA ARG A 392 -4.288 -0.746 -9.486 1.00 0.26 C ATOM 1045 C ARG A 392 -4.564 0.263 -8.386 1.00 0.22 C ATOM 1046 O ARG A 392 -4.668 1.467 -8.631 1.00 0.30 O ATOM 1047 CB ARG A 392 -5.505 -1.652 -9.611 1.00 0.38 C ATOM 1048 CG ARG A 392 -5.288 -2.856 -10.496 1.00 1.12 C ATOM 1049 CD ARG A 392 -5.153 -2.472 -11.960 1.00 2.05 C ATOM 1050 NE ARG A 392 -5.068 -3.650 -12.825 1.00 2.61 N ATOM 1051 CZ ARG A 392 -5.586 -3.712 -14.051 1.00 3.35 C ATOM 1052 NH1 ARG A 392 -6.174 -2.649 -14.583 1.00 3.75 N ATOM 1053 NH2 ARG A 392 -5.505 -4.834 -14.752 1.00 4.06 N ATOM 0 H ARG A 392 -3.212 -2.533 -9.220 1.00 0.21 H new ATOM 0 HA ARG A 392 -4.110 -0.240 -10.435 1.00 0.26 H new ATOM 0 HB2 ARG A 392 -5.795 -1.992 -8.617 1.00 0.38 H new ATOM 0 HB3 ARG A 392 -6.339 -1.071 -10.005 1.00 0.38 H new ATOM 0 HG2 ARG A 392 -4.390 -3.384 -10.176 1.00 1.12 H new ATOM 0 HG3 ARG A 392 -6.123 -3.547 -10.378 1.00 1.12 H new ATOM 0 HD2 ARG A 392 -6.008 -1.864 -12.257 1.00 2.05 H new ATOM 0 HD3 ARG A 392 -4.263 -1.857 -12.094 1.00 2.05 H new ATOM 0 HE ARG A 392 -4.583 -4.473 -12.468 1.00 2.61 H new ATOM 0 HH11 ARG A 392 -6.231 -1.779 -14.053 1.00 3.75 H new ATOM 0 HH12 ARG A 392 -6.569 -2.701 -15.522 1.00 3.75 H new ATOM 0 HH21 ARG A 392 -5.045 -5.653 -14.353 1.00 4.06 H new ATOM 0 HH22 ARG A 392 -5.902 -4.879 -15.690 1.00 4.06 H new ATOM 1067 N ALA A 393 -4.673 -0.259 -7.172 1.00 0.19 N ATOM 1068 CA ALA A 393 -4.890 0.559 -5.991 1.00 0.17 C ATOM 1069 C ALA A 393 -3.818 1.637 -5.873 1.00 0.12 C ATOM 1070 O ALA A 393 -4.129 2.802 -5.648 1.00 0.14 O ATOM 1071 CB ALA A 393 -4.914 -0.322 -4.750 1.00 0.20 C ATOM 0 H ALA A 393 -4.613 -1.259 -6.980 1.00 0.19 H new ATOM 0 HA ALA A 393 -5.854 1.060 -6.083 1.00 0.17 H new ATOM 0 HB1 ALA A 393 -5.077 0.297 -3.868 1.00 0.20 H new ATOM 0 HB2 ALA A 393 -5.720 -1.050 -4.836 1.00 0.20 H new ATOM 0 HB3 ALA A 393 -3.962 -0.844 -4.656 1.00 0.20 H new ATOM 1077 N LEU A 394 -2.560 1.253 -6.072 1.00 0.13 N ATOM 1078 CA LEU A 394 -1.442 2.184 -5.948 1.00 0.10 C ATOM 1079 C LEU A 394 -1.564 3.311 -6.959 1.00 0.11 C ATOM 1080 O LEU A 394 -1.415 4.483 -6.624 1.00 0.12 O ATOM 1081 CB LEU A 394 -0.120 1.445 -6.158 1.00 0.11 C ATOM 1082 CG LEU A 394 0.218 0.415 -5.089 1.00 0.12 C ATOM 1083 CD1 LEU A 394 1.383 -0.449 -5.534 1.00 0.13 C ATOM 1084 CD2 LEU A 394 0.541 1.115 -3.789 1.00 0.13 C ATOM 0 H LEU A 394 -2.289 0.302 -6.320 1.00 0.13 H new ATOM 0 HA LEU A 394 -1.463 2.612 -4.946 1.00 0.10 H new ATOM 0 HB2 LEU A 394 -0.150 0.945 -7.126 1.00 0.11 H new ATOM 0 HB3 LEU A 394 0.686 2.178 -6.203 1.00 0.11 H new ATOM 0 HG LEU A 394 -0.645 -0.233 -4.935 1.00 0.12 H new ATOM 0 HD11 LEU A 394 1.611 -1.180 -4.758 1.00 0.13 H new ATOM 0 HD12 LEU A 394 1.120 -0.968 -6.455 1.00 0.13 H new ATOM 0 HD13 LEU A 394 2.256 0.180 -5.709 1.00 0.13 H new ATOM 0 HD21 LEU A 394 0.782 0.374 -3.027 1.00 0.13 H new ATOM 0 HD22 LEU A 394 1.395 1.777 -3.935 1.00 0.13 H new ATOM 0 HD23 LEU A 394 -0.321 1.700 -3.467 1.00 0.13 H new ATOM 1096 N ARG A 395 -1.857 2.940 -8.190 1.00 0.12 N ATOM 1097 CA ARG A 395 -1.991 3.893 -9.278 1.00 0.14 C ATOM 1098 C ARG A 395 -3.123 4.870 -9.002 1.00 0.14 C ATOM 1099 O ARG A 395 -3.075 6.027 -9.415 1.00 0.19 O ATOM 1100 CB ARG A 395 -2.231 3.141 -10.585 1.00 0.18 C ATOM 1101 CG ARG A 395 -1.105 2.180 -10.919 1.00 0.33 C ATOM 1102 CD ARG A 395 -0.062 2.823 -11.815 1.00 0.52 C ATOM 1103 NE ARG A 395 -0.527 2.946 -13.195 1.00 1.30 N ATOM 1104 CZ ARG A 395 -0.490 4.076 -13.896 1.00 1.72 C ATOM 1105 NH1 ARG A 395 -0.078 5.201 -13.327 1.00 1.66 N ATOM 1106 NH2 ARG A 395 -0.868 4.082 -15.167 1.00 2.64 N ATOM 0 H ARG A 395 -2.009 1.970 -8.466 1.00 0.12 H new ATOM 0 HA ARG A 395 -1.070 4.469 -9.363 1.00 0.14 H new ATOM 0 HB2 ARG A 395 -3.168 2.588 -10.515 1.00 0.18 H new ATOM 0 HB3 ARG A 395 -2.345 3.859 -11.398 1.00 0.18 H new ATOM 0 HG2 ARG A 395 -0.632 1.840 -9.998 1.00 0.33 H new ATOM 0 HG3 ARG A 395 -1.514 1.298 -11.412 1.00 0.33 H new ATOM 0 HD2 ARG A 395 0.190 3.810 -11.428 1.00 0.52 H new ATOM 0 HD3 ARG A 395 0.852 2.229 -11.792 1.00 0.52 H new ATOM 0 HE ARG A 395 -0.903 2.114 -13.649 1.00 1.30 H new ATOM 0 HH11 ARG A 395 0.212 5.202 -12.349 1.00 1.66 H new ATOM 0 HH12 ARG A 395 -0.051 6.066 -13.867 1.00 1.66 H new ATOM 0 HH21 ARG A 395 -1.188 3.220 -15.608 1.00 2.64 H new ATOM 0 HH22 ARG A 395 -0.839 4.949 -15.704 1.00 2.64 H new ATOM 1120 N HIS A 396 -4.140 4.403 -8.293 1.00 0.12 N ATOM 1121 CA HIS A 396 -5.250 5.256 -7.907 1.00 0.13 C ATOM 1122 C HIS A 396 -4.841 6.155 -6.740 1.00 0.11 C ATOM 1123 O HIS A 396 -5.236 7.320 -6.669 1.00 0.13 O ATOM 1124 CB HIS A 396 -6.470 4.409 -7.547 1.00 0.14 C ATOM 1125 CG HIS A 396 -7.766 5.147 -7.683 1.00 0.18 C ATOM 1126 ND1 HIS A 396 -7.947 6.098 -8.659 1.00 0.31 N ATOM 1127 CD2 HIS A 396 -8.901 5.043 -6.953 1.00 0.20 C ATOM 1128 CE1 HIS A 396 -9.180 6.548 -8.502 1.00 0.34 C ATOM 1129 NE2 HIS A 396 -9.796 5.938 -7.481 1.00 0.26 N ATOM 0 H HIS A 396 -4.218 3.437 -7.974 1.00 0.12 H new ATOM 0 HA HIS A 396 -5.519 5.893 -8.750 1.00 0.13 H new ATOM 0 HB2 HIS A 396 -6.493 3.527 -8.188 1.00 0.14 H new ATOM 0 HB3 HIS A 396 -6.368 4.055 -6.521 1.00 0.14 H new ATOM 0 HD2 HIS A 396 -9.069 4.382 -6.116 1.00 0.20 H new ATOM 0 HE1 HIS A 396 -9.633 7.310 -9.118 1.00 0.34 H new ATOM 0 HE2 HIS A 396 -10.749 6.107 -7.158 1.00 0.26 H new ATOM 1137 N TYR A 397 -4.007 5.615 -5.856 1.00 0.10 N ATOM 1138 CA TYR A 397 -3.528 6.346 -4.682 1.00 0.10 C ATOM 1139 C TYR A 397 -2.746 7.584 -5.081 1.00 0.09 C ATOM 1140 O TYR A 397 -2.712 8.569 -4.349 1.00 0.11 O ATOM 1141 CB TYR A 397 -2.645 5.453 -3.801 1.00 0.12 C ATOM 1142 CG TYR A 397 -3.392 4.308 -3.189 1.00 0.16 C ATOM 1143 CD1 TYR A 397 -4.767 4.347 -3.104 1.00 0.17 C ATOM 1144 CD2 TYR A 397 -2.730 3.190 -2.717 1.00 0.19 C ATOM 1145 CE1 TYR A 397 -5.475 3.308 -2.564 1.00 0.21 C ATOM 1146 CE2 TYR A 397 -3.432 2.134 -2.167 1.00 0.24 C ATOM 1147 CZ TYR A 397 -4.808 2.199 -2.095 1.00 0.24 C ATOM 1148 OH TYR A 397 -5.515 1.160 -1.537 1.00 0.30 O ATOM 0 H TYR A 397 -3.645 4.664 -5.930 1.00 0.10 H new ATOM 0 HA TYR A 397 -4.408 6.652 -4.116 1.00 0.10 H new ATOM 0 HB2 TYR A 397 -1.821 5.063 -4.399 1.00 0.12 H new ATOM 0 HB3 TYR A 397 -2.205 6.057 -3.008 1.00 0.12 H new ATOM 0 HD1 TYR A 397 -5.296 5.214 -3.471 1.00 0.17 H new ATOM 0 HD2 TYR A 397 -1.653 3.141 -2.779 1.00 0.19 H new ATOM 0 HE1 TYR A 397 -6.552 3.358 -2.506 1.00 0.21 H new ATOM 0 HE2 TYR A 397 -2.908 1.265 -1.797 1.00 0.24 H new ATOM 0 HH TYR A 397 -5.407 1.177 -0.563 1.00 0.30 H new ATOM 1158 N TYR A 398 -2.111 7.528 -6.240 1.00 0.10 N ATOM 1159 CA TYR A 398 -1.304 8.644 -6.706 1.00 0.12 C ATOM 1160 C TYR A 398 -2.175 9.867 -6.949 1.00 0.14 C ATOM 1161 O TYR A 398 -1.838 10.977 -6.530 1.00 0.17 O ATOM 1162 CB TYR A 398 -0.570 8.296 -8.002 1.00 0.14 C ATOM 1163 CG TYR A 398 0.278 7.041 -7.954 1.00 0.12 C ATOM 1164 CD1 TYR A 398 0.826 6.567 -6.763 1.00 0.11 C ATOM 1165 CD2 TYR A 398 0.533 6.331 -9.118 1.00 0.15 C ATOM 1166 CE1 TYR A 398 1.600 5.424 -6.742 1.00 0.12 C ATOM 1167 CE2 TYR A 398 1.306 5.194 -9.104 1.00 0.16 C ATOM 1168 CZ TYR A 398 1.834 4.742 -7.918 1.00 0.14 C ATOM 1169 OH TYR A 398 2.607 3.611 -7.917 1.00 0.18 O ATOM 0 H TYR A 398 -2.138 6.728 -6.872 1.00 0.10 H new ATOM 0 HA TYR A 398 -0.571 8.860 -5.929 1.00 0.12 H new ATOM 0 HB2 TYR A 398 -1.306 8.186 -8.798 1.00 0.14 H new ATOM 0 HB3 TYR A 398 0.070 9.136 -8.274 1.00 0.14 H new ATOM 0 HD1 TYR A 398 0.642 7.102 -5.843 1.00 0.11 H new ATOM 0 HD2 TYR A 398 0.117 6.678 -10.052 1.00 0.15 H new ATOM 0 HE1 TYR A 398 2.019 5.067 -5.813 1.00 0.12 H new ATOM 0 HE2 TYR A 398 1.498 4.658 -10.022 1.00 0.16 H new ATOM 0 HH TYR A 398 3.165 3.597 -7.111 1.00 0.18 H new ATOM 1179 N LYS A 399 -3.295 9.657 -7.628 1.00 0.15 N ATOM 1180 CA LYS A 399 -4.211 10.744 -7.939 1.00 0.19 C ATOM 1181 C LYS A 399 -4.881 11.270 -6.686 1.00 0.19 C ATOM 1182 O LYS A 399 -5.113 12.470 -6.550 1.00 0.23 O ATOM 1183 CB LYS A 399 -5.287 10.301 -8.917 1.00 0.20 C ATOM 1184 CG LYS A 399 -4.809 10.175 -10.354 1.00 0.23 C ATOM 1185 CD LYS A 399 -4.398 8.753 -10.688 1.00 0.27 C ATOM 1186 CE LYS A 399 -5.569 7.804 -10.525 1.00 0.32 C ATOM 1187 NZ LYS A 399 -5.300 6.471 -11.128 1.00 0.71 N ATOM 0 H LYS A 399 -3.590 8.744 -7.973 1.00 0.15 H new ATOM 0 HA LYS A 399 -3.615 11.535 -8.394 1.00 0.19 H new ATOM 0 HB2 LYS A 399 -5.684 9.339 -8.592 1.00 0.20 H new ATOM 0 HB3 LYS A 399 -6.111 11.014 -8.881 1.00 0.20 H new ATOM 0 HG2 LYS A 399 -5.603 10.492 -11.030 1.00 0.23 H new ATOM 0 HG3 LYS A 399 -3.965 10.845 -10.516 1.00 0.23 H new ATOM 0 HD2 LYS A 399 -4.027 8.708 -11.712 1.00 0.27 H new ATOM 0 HD3 LYS A 399 -3.580 8.444 -10.038 1.00 0.27 H new ATOM 0 HE2 LYS A 399 -5.792 7.683 -9.465 1.00 0.32 H new ATOM 0 HE3 LYS A 399 -6.454 8.239 -10.989 1.00 0.32 H new ATOM 0 HZ1 LYS A 399 -6.084 5.825 -10.905 1.00 0.71 H new ATOM 0 HZ2 LYS A 399 -5.214 6.568 -12.160 1.00 0.71 H new ATOM 0 HZ3 LYS A 399 -4.414 6.087 -10.741 1.00 0.71 H new ATOM 1201 N LEU A 400 -5.182 10.364 -5.774 1.00 0.17 N ATOM 1202 CA LEU A 400 -5.884 10.714 -4.555 1.00 0.18 C ATOM 1203 C LEU A 400 -4.919 11.159 -3.482 1.00 0.18 C ATOM 1204 O LEU A 400 -5.246 11.171 -2.298 1.00 0.21 O ATOM 1205 CB LEU A 400 -6.723 9.527 -4.107 1.00 0.18 C ATOM 1206 CG LEU A 400 -7.573 8.925 -5.227 1.00 0.19 C ATOM 1207 CD1 LEU A 400 -8.237 7.651 -4.766 1.00 0.20 C ATOM 1208 CD2 LEU A 400 -8.607 9.925 -5.723 1.00 0.21 C ATOM 0 H LEU A 400 -4.949 9.374 -5.856 1.00 0.17 H new ATOM 0 HA LEU A 400 -6.547 11.558 -4.745 1.00 0.18 H new ATOM 0 HB2 LEU A 400 -6.064 8.756 -3.707 1.00 0.18 H new ATOM 0 HB3 LEU A 400 -7.377 9.841 -3.293 1.00 0.18 H new ATOM 0 HG LEU A 400 -6.913 8.683 -6.060 1.00 0.19 H new ATOM 0 HD11 LEU A 400 -8.837 7.239 -5.578 1.00 0.20 H new ATOM 0 HD12 LEU A 400 -7.475 6.928 -4.475 1.00 0.20 H new ATOM 0 HD13 LEU A 400 -8.880 7.864 -3.912 1.00 0.20 H new ATOM 0 HD21 LEU A 400 -9.198 9.472 -6.519 1.00 0.21 H new ATOM 0 HD22 LEU A 400 -9.263 10.208 -4.900 1.00 0.21 H new ATOM 0 HD23 LEU A 400 -8.101 10.812 -6.106 1.00 0.21 H new ATOM 1220 N ASN A 401 -3.719 11.518 -3.922 1.00 0.18 N ATOM 1221 CA ASN A 401 -2.776 12.240 -3.079 1.00 0.20 C ATOM 1222 C ASN A 401 -2.332 11.396 -1.884 1.00 0.17 C ATOM 1223 O ASN A 401 -2.133 11.895 -0.775 1.00 0.22 O ATOM 1224 CB ASN A 401 -3.455 13.520 -2.620 1.00 0.27 C ATOM 1225 CG ASN A 401 -2.488 14.554 -2.076 1.00 0.60 C ATOM 1226 OD1 ASN A 401 -1.299 14.543 -2.394 1.00 1.08 O ATOM 1227 ND2 ASN A 401 -3.001 15.482 -1.284 1.00 1.21 N ATOM 0 H ASN A 401 -3.376 11.320 -4.862 1.00 0.18 H new ATOM 0 HA ASN A 401 -1.874 12.471 -3.646 1.00 0.20 H new ATOM 0 HB2 ASN A 401 -4.004 13.952 -3.457 1.00 0.27 H new ATOM 0 HB3 ASN A 401 -4.187 13.278 -1.850 1.00 0.27 H new ATOM 0 HD21 ASN A 401 -2.405 16.223 -0.914 1.00 1.21 H new ATOM 0 HD22 ASN A 401 -3.992 15.456 -1.044 1.00 1.21 H new ATOM 1234 N ILE A 402 -2.189 10.108 -2.130 1.00 0.11 N ATOM 1235 CA ILE A 402 -1.895 9.142 -1.095 1.00 0.10 C ATOM 1236 C ILE A 402 -0.459 8.656 -1.175 1.00 0.09 C ATOM 1237 O ILE A 402 0.345 8.900 -0.278 1.00 0.13 O ATOM 1238 CB ILE A 402 -2.859 7.974 -1.273 1.00 0.10 C ATOM 1239 CG1 ILE A 402 -4.267 8.520 -1.164 1.00 0.14 C ATOM 1240 CG2 ILE A 402 -2.619 6.876 -0.253 1.00 0.15 C ATOM 1241 CD1 ILE A 402 -5.309 7.540 -1.579 1.00 0.13 C ATOM 0 H ILE A 402 -2.275 9.702 -3.062 1.00 0.11 H new ATOM 0 HA ILE A 402 -2.017 9.605 -0.116 1.00 0.10 H new ATOM 0 HB ILE A 402 -2.701 7.517 -2.250 1.00 0.10 H new ATOM 0 HG12 ILE A 402 -4.453 8.825 -0.134 1.00 0.14 H new ATOM 0 HG13 ILE A 402 -4.352 9.414 -1.781 1.00 0.14 H new ATOM 0 HG21 ILE A 402 -3.328 6.065 -0.418 1.00 0.15 H new ATOM 0 HG22 ILE A 402 -1.603 6.497 -0.359 1.00 0.15 H new ATOM 0 HG23 ILE A 402 -2.753 7.277 0.752 1.00 0.15 H new ATOM 0 HD11 ILE A 402 -6.295 7.993 -1.477 1.00 0.13 H new ATOM 0 HD12 ILE A 402 -5.146 7.254 -2.618 1.00 0.13 H new ATOM 0 HD13 ILE A 402 -5.249 6.655 -0.945 1.00 0.13 H new ATOM 1253 N ILE A 403 -0.146 7.970 -2.255 1.00 0.07 N ATOM 1254 CA ILE A 403 1.193 7.475 -2.478 1.00 0.07 C ATOM 1255 C ILE A 403 1.739 8.093 -3.759 1.00 0.08 C ATOM 1256 O ILE A 403 0.975 8.566 -4.597 1.00 0.10 O ATOM 1257 CB ILE A 403 1.219 5.929 -2.574 1.00 0.09 C ATOM 1258 CG1 ILE A 403 0.570 5.294 -1.343 1.00 0.09 C ATOM 1259 CG2 ILE A 403 2.645 5.425 -2.723 1.00 0.14 C ATOM 1260 CD1 ILE A 403 0.597 3.782 -1.381 1.00 0.11 C ATOM 0 H ILE A 403 -0.808 7.742 -2.997 1.00 0.07 H new ATOM 0 HA ILE A 403 1.817 7.758 -1.631 1.00 0.07 H new ATOM 0 HB ILE A 403 0.648 5.641 -3.457 1.00 0.09 H new ATOM 0 HG12 ILE A 403 1.085 5.640 -0.447 1.00 0.09 H new ATOM 0 HG13 ILE A 403 -0.463 5.633 -1.267 1.00 0.09 H new ATOM 0 HG21 ILE A 403 2.641 4.337 -2.789 1.00 0.14 H new ATOM 0 HG22 ILE A 403 3.085 5.842 -3.629 1.00 0.14 H new ATOM 0 HG23 ILE A 403 3.232 5.734 -1.858 1.00 0.14 H new ATOM 0 HD11 ILE A 403 0.123 3.387 -0.482 1.00 0.11 H new ATOM 0 HD12 ILE A 403 0.057 3.430 -2.260 1.00 0.11 H new ATOM 0 HD13 ILE A 403 1.630 3.438 -1.428 1.00 0.11 H new ATOM 1272 N ARG A 404 3.049 8.136 -3.885 1.00 0.10 N ATOM 1273 CA ARG A 404 3.683 8.639 -5.085 1.00 0.13 C ATOM 1274 C ARG A 404 4.684 7.625 -5.591 1.00 0.14 C ATOM 1275 O ARG A 404 5.063 6.692 -4.880 1.00 0.16 O ATOM 1276 CB ARG A 404 4.386 9.964 -4.803 1.00 0.17 C ATOM 1277 CG ARG A 404 5.770 9.785 -4.240 1.00 0.25 C ATOM 1278 CD ARG A 404 6.406 11.116 -3.901 1.00 0.36 C ATOM 1279 NE ARG A 404 6.921 11.813 -5.078 1.00 1.14 N ATOM 1280 CZ ARG A 404 6.799 13.125 -5.282 1.00 1.56 C ATOM 1281 NH1 ARG A 404 6.197 13.889 -4.383 1.00 1.63 N ATOM 1282 NH2 ARG A 404 7.297 13.677 -6.380 1.00 2.39 N ATOM 0 H ARG A 404 3.700 7.826 -3.164 1.00 0.10 H new ATOM 0 HA ARG A 404 2.918 8.807 -5.844 1.00 0.13 H new ATOM 0 HB2 ARG A 404 4.447 10.541 -5.726 1.00 0.17 H new ATOM 0 HB3 ARG A 404 3.787 10.545 -4.102 1.00 0.17 H new ATOM 0 HG2 ARG A 404 5.723 9.164 -3.345 1.00 0.25 H new ATOM 0 HG3 ARG A 404 6.392 9.256 -4.962 1.00 0.25 H new ATOM 0 HD2 ARG A 404 5.671 11.748 -3.402 1.00 0.36 H new ATOM 0 HD3 ARG A 404 7.220 10.955 -3.194 1.00 0.36 H new ATOM 0 HE ARG A 404 7.404 11.261 -5.787 1.00 1.14 H new ATOM 0 HH11 ARG A 404 5.824 13.474 -3.529 1.00 1.63 H new ATOM 0 HH12 ARG A 404 6.107 14.892 -4.545 1.00 1.63 H new ATOM 0 HH21 ARG A 404 7.774 13.098 -7.071 1.00 2.39 H new ATOM 0 HH22 ARG A 404 7.203 14.681 -6.534 1.00 2.39 H new ATOM 1296 N LYS A 405 5.121 7.830 -6.807 1.00 0.17 N ATOM 1297 CA LYS A 405 6.062 6.935 -7.437 1.00 0.19 C ATOM 1298 C LYS A 405 7.355 7.680 -7.728 1.00 0.22 C ATOM 1299 O LYS A 405 7.334 8.782 -8.283 1.00 0.27 O ATOM 1300 CB LYS A 405 5.469 6.381 -8.721 1.00 0.22 C ATOM 1301 CG LYS A 405 6.253 5.204 -9.259 1.00 0.34 C ATOM 1302 CD LYS A 405 6.511 4.199 -8.180 1.00 0.29 C ATOM 1303 CE LYS A 405 7.119 2.948 -8.750 1.00 0.23 C ATOM 1304 NZ LYS A 405 8.327 3.220 -9.570 1.00 1.08 N ATOM 0 H LYS A 405 4.837 8.619 -7.388 1.00 0.17 H new ATOM 0 HA LYS A 405 6.276 6.103 -6.767 1.00 0.19 H new ATOM 0 HB2 LYS A 405 4.439 6.075 -8.539 1.00 0.22 H new ATOM 0 HB3 LYS A 405 5.440 7.169 -9.474 1.00 0.22 H new ATOM 0 HG2 LYS A 405 5.701 4.736 -10.074 1.00 0.34 H new ATOM 0 HG3 LYS A 405 7.200 5.551 -9.673 1.00 0.34 H new ATOM 0 HD2 LYS A 405 7.179 4.625 -7.432 1.00 0.29 H new ATOM 0 HD3 LYS A 405 5.578 3.956 -7.672 1.00 0.29 H new ATOM 0 HE2 LYS A 405 7.382 2.273 -7.935 1.00 0.23 H new ATOM 0 HE3 LYS A 405 6.377 2.435 -9.362 1.00 0.23 H new ATOM 0 HZ1 LYS A 405 8.802 2.323 -9.797 1.00 1.08 H new ATOM 0 HZ2 LYS A 405 8.048 3.697 -10.451 1.00 1.08 H new ATOM 0 HZ3 LYS A 405 8.978 3.831 -9.037 1.00 1.08 H new ATOM 1318 N GLU A 406 8.468 7.083 -7.349 1.00 0.23 N ATOM 1319 CA GLU A 406 9.762 7.719 -7.482 1.00 0.28 C ATOM 1320 C GLU A 406 10.280 7.653 -8.917 1.00 0.34 C ATOM 1321 O GLU A 406 9.803 6.868 -9.742 1.00 0.43 O ATOM 1322 CB GLU A 406 10.768 7.068 -6.528 1.00 0.29 C ATOM 1323 CG GLU A 406 10.536 5.598 -6.330 1.00 0.63 C ATOM 1324 CD GLU A 406 10.701 4.799 -7.601 1.00 1.77 C ATOM 1325 OE1 GLU A 406 11.520 5.195 -8.444 1.00 2.32 O ATOM 1326 OE2 GLU A 406 10.039 3.754 -7.750 1.00 2.42 O ATOM 0 H GLU A 406 8.500 6.148 -6.942 1.00 0.23 H new ATOM 0 HA GLU A 406 9.643 8.771 -7.221 1.00 0.28 H new ATOM 0 HB2 GLU A 406 11.776 7.220 -6.915 1.00 0.29 H new ATOM 0 HB3 GLU A 406 10.718 7.570 -5.562 1.00 0.29 H new ATOM 0 HG2 GLU A 406 11.232 5.224 -5.579 1.00 0.63 H new ATOM 0 HG3 GLU A 406 9.531 5.444 -5.938 1.00 0.63 H new ATOM 1333 N PRO A 407 11.205 8.554 -9.229 1.00 0.41 N ATOM 1334 CA PRO A 407 11.949 8.553 -10.474 1.00 0.51 C ATOM 1335 C PRO A 407 13.028 7.464 -10.528 1.00 0.52 C ATOM 1336 O PRO A 407 14.009 7.529 -9.783 1.00 0.54 O ATOM 1337 CB PRO A 407 12.584 9.938 -10.531 1.00 0.61 C ATOM 1338 CG PRO A 407 12.525 10.496 -9.149 1.00 0.58 C ATOM 1339 CD PRO A 407 11.635 9.611 -8.321 1.00 0.45 C ATOM 0 HA PRO A 407 11.296 8.339 -11.320 1.00 0.51 H new ATOM 0 HB2 PRO A 407 13.615 9.877 -10.879 1.00 0.61 H new ATOM 0 HB3 PRO A 407 12.049 10.580 -11.230 1.00 0.61 H new ATOM 0 HG2 PRO A 407 13.524 10.543 -8.715 1.00 0.58 H new ATOM 0 HG3 PRO A 407 12.137 11.515 -9.167 1.00 0.58 H new ATOM 0 HD2 PRO A 407 12.171 9.202 -7.465 1.00 0.45 H new ATOM 0 HD3 PRO A 407 10.782 10.165 -7.928 1.00 0.45 H new ATOM 1347 N GLY A 408 12.867 6.477 -11.395 1.00 0.54 N ATOM 1348 CA GLY A 408 13.975 5.582 -11.689 1.00 0.58 C ATOM 1349 C GLY A 408 13.890 4.207 -11.043 1.00 0.58 C ATOM 1350 O GLY A 408 14.245 3.213 -11.676 1.00 0.86 O ATOM 0 H GLY A 408 12.002 6.278 -11.897 1.00 0.54 H new ATOM 0 HA2 GLY A 408 14.040 5.454 -12.770 1.00 0.58 H new ATOM 0 HA3 GLY A 408 14.901 6.059 -11.368 1.00 0.58 H new ATOM 1354 N GLN A 409 13.433 4.122 -9.798 1.00 0.47 N ATOM 1355 CA GLN A 409 13.394 2.833 -9.111 1.00 0.51 C ATOM 1356 C GLN A 409 12.233 1.995 -9.645 1.00 0.48 C ATOM 1357 O GLN A 409 11.519 2.405 -10.559 1.00 0.61 O ATOM 1358 CB GLN A 409 13.273 2.980 -7.586 1.00 0.63 C ATOM 1359 CG GLN A 409 14.127 4.085 -6.980 1.00 0.45 C ATOM 1360 CD GLN A 409 14.563 3.768 -5.564 1.00 0.71 C ATOM 1361 OE1 GLN A 409 14.761 4.666 -4.748 1.00 1.64 O ATOM 1362 NE2 GLN A 409 14.717 2.485 -5.260 1.00 0.45 N ATOM 0 H GLN A 409 13.090 4.912 -9.252 1.00 0.47 H new ATOM 0 HA GLN A 409 14.341 2.332 -9.312 1.00 0.51 H new ATOM 0 HB2 GLN A 409 12.229 3.168 -7.335 1.00 0.63 H new ATOM 0 HB3 GLN A 409 13.547 2.033 -7.121 1.00 0.63 H new ATOM 0 HG2 GLN A 409 15.008 4.242 -7.602 1.00 0.45 H new ATOM 0 HG3 GLN A 409 13.564 5.019 -6.984 1.00 0.45 H new ATOM 0 HE21 GLN A 409 14.543 1.769 -5.966 1.00 0.45 H new ATOM 0 HE22 GLN A 409 15.010 2.215 -4.321 1.00 0.45 H new ATOM 1371 N ARG A 410 12.043 0.826 -9.071 1.00 0.41 N ATOM 1372 CA ARG A 410 11.022 -0.099 -9.545 1.00 0.39 C ATOM 1373 C ARG A 410 9.844 -0.147 -8.596 1.00 0.31 C ATOM 1374 O ARG A 410 8.771 0.374 -8.890 1.00 0.42 O ATOM 1375 CB ARG A 410 11.615 -1.505 -9.733 1.00 0.47 C ATOM 1376 CG ARG A 410 12.692 -1.871 -8.720 1.00 0.86 C ATOM 1377 CD ARG A 410 14.053 -1.372 -9.169 1.00 1.11 C ATOM 1378 NE ARG A 410 14.900 -0.963 -8.044 1.00 1.27 N ATOM 1379 CZ ARG A 410 15.988 -0.195 -8.181 1.00 2.04 C ATOM 1380 NH1 ARG A 410 16.354 0.241 -9.379 1.00 2.65 N ATOM 1381 NH2 ARG A 410 16.717 0.131 -7.122 1.00 2.43 N ATOM 0 H ARG A 410 12.581 0.488 -8.273 1.00 0.41 H new ATOM 0 HA ARG A 410 10.664 0.263 -10.509 1.00 0.39 H new ATOM 0 HB2 ARG A 410 10.810 -2.237 -9.671 1.00 0.47 H new ATOM 0 HB3 ARG A 410 12.036 -1.578 -10.736 1.00 0.47 H new ATOM 0 HG2 ARG A 410 12.445 -1.441 -7.750 1.00 0.86 H new ATOM 0 HG3 ARG A 410 12.722 -2.953 -8.591 1.00 0.86 H new ATOM 0 HD2 ARG A 410 14.557 -2.158 -9.732 1.00 1.11 H new ATOM 0 HD3 ARG A 410 13.922 -0.528 -9.846 1.00 1.11 H new ATOM 0 HE ARG A 410 14.647 -1.280 -7.108 1.00 1.27 H new ATOM 0 HH11 ARG A 410 15.806 -0.009 -10.202 1.00 2.65 H new ATOM 0 HH12 ARG A 410 17.184 0.826 -9.477 1.00 2.65 H new ATOM 0 HH21 ARG A 410 16.450 -0.204 -6.196 1.00 2.43 H new ATOM 0 HH22 ARG A 410 17.545 0.716 -7.233 1.00 2.43 H new ATOM 1395 N LEU A 411 10.061 -0.758 -7.457 1.00 0.21 N ATOM 1396 CA LEU A 411 9.012 -0.963 -6.484 1.00 0.14 C ATOM 1397 C LEU A 411 9.158 -0.015 -5.314 1.00 0.11 C ATOM 1398 O LEU A 411 8.829 -0.347 -4.184 1.00 0.12 O ATOM 1399 CB LEU A 411 9.030 -2.411 -6.033 1.00 0.11 C ATOM 1400 CG LEU A 411 8.642 -3.387 -7.138 1.00 0.11 C ATOM 1401 CD1 LEU A 411 8.895 -4.819 -6.723 1.00 0.15 C ATOM 1402 CD2 LEU A 411 7.188 -3.180 -7.498 1.00 0.16 C ATOM 0 H LEU A 411 10.969 -1.128 -7.177 1.00 0.21 H new ATOM 0 HA LEU A 411 8.047 -0.748 -6.944 1.00 0.14 H new ATOM 0 HB2 LEU A 411 10.027 -2.660 -5.670 1.00 0.11 H new ATOM 0 HB3 LEU A 411 8.346 -2.532 -5.193 1.00 0.11 H new ATOM 0 HG LEU A 411 9.262 -3.192 -8.013 1.00 0.11 H new ATOM 0 HD11 LEU A 411 8.608 -5.489 -7.533 1.00 0.15 H new ATOM 0 HD12 LEU A 411 9.954 -4.952 -6.501 1.00 0.15 H new ATOM 0 HD13 LEU A 411 8.306 -5.050 -5.835 1.00 0.15 H new ATOM 0 HD21 LEU A 411 6.906 -3.876 -8.288 1.00 0.16 H new ATOM 0 HD22 LEU A 411 6.567 -3.357 -6.620 1.00 0.16 H new ATOM 0 HD23 LEU A 411 7.041 -2.157 -7.846 1.00 0.16 H new ATOM 1414 N LEU A 412 9.687 1.157 -5.589 1.00 0.13 N ATOM 1415 CA LEU A 412 9.853 2.166 -4.565 1.00 0.11 C ATOM 1416 C LEU A 412 8.642 3.089 -4.585 1.00 0.10 C ATOM 1417 O LEU A 412 8.201 3.521 -5.645 1.00 0.11 O ATOM 1418 CB LEU A 412 11.128 2.957 -4.841 1.00 0.13 C ATOM 1419 CG LEU A 412 11.787 3.678 -3.661 1.00 0.13 C ATOM 1420 CD1 LEU A 412 10.806 4.500 -2.853 1.00 0.13 C ATOM 1421 CD2 LEU A 412 12.484 2.681 -2.778 1.00 0.16 C ATOM 0 H LEU A 412 10.010 1.436 -6.515 1.00 0.13 H new ATOM 0 HA LEU A 412 9.934 1.700 -3.583 1.00 0.11 H new ATOM 0 HB2 LEU A 412 11.861 2.273 -5.268 1.00 0.13 H new ATOM 0 HB3 LEU A 412 10.903 3.701 -5.605 1.00 0.13 H new ATOM 0 HG LEU A 412 12.514 4.377 -4.076 1.00 0.13 H new ATOM 0 HD11 LEU A 412 11.330 4.987 -2.031 1.00 0.13 H new ATOM 0 HD12 LEU A 412 10.351 5.256 -3.493 1.00 0.13 H new ATOM 0 HD13 LEU A 412 10.029 3.849 -2.453 1.00 0.13 H new ATOM 0 HD21 LEU A 412 12.951 3.200 -1.941 1.00 0.16 H new ATOM 0 HD22 LEU A 412 11.759 1.961 -2.400 1.00 0.16 H new ATOM 0 HD23 LEU A 412 13.249 2.158 -3.352 1.00 0.16 H new ATOM 1433 N PHE A 413 8.095 3.377 -3.422 1.00 0.10 N ATOM 1434 CA PHE A 413 6.958 4.265 -3.330 1.00 0.11 C ATOM 1435 C PHE A 413 7.099 5.144 -2.105 1.00 0.12 C ATOM 1436 O PHE A 413 7.590 4.698 -1.068 1.00 0.19 O ATOM 1437 CB PHE A 413 5.656 3.473 -3.240 1.00 0.12 C ATOM 1438 CG PHE A 413 5.453 2.505 -4.366 1.00 0.10 C ATOM 1439 CD1 PHE A 413 5.974 1.226 -4.289 1.00 0.11 C ATOM 1440 CD2 PHE A 413 4.749 2.869 -5.494 1.00 0.10 C ATOM 1441 CE1 PHE A 413 5.795 0.326 -5.319 1.00 0.11 C ATOM 1442 CE2 PHE A 413 4.566 1.973 -6.528 1.00 0.11 C ATOM 1443 CZ PHE A 413 5.091 0.699 -6.441 1.00 0.11 C ATOM 0 H PHE A 413 8.420 3.008 -2.528 1.00 0.10 H new ATOM 0 HA PHE A 413 6.928 4.882 -4.228 1.00 0.11 H new ATOM 0 HB2 PHE A 413 5.639 2.926 -2.297 1.00 0.12 H new ATOM 0 HB3 PHE A 413 4.819 4.171 -3.219 1.00 0.12 H new ATOM 0 HD1 PHE A 413 6.528 0.928 -3.411 1.00 0.11 H new ATOM 0 HD2 PHE A 413 4.337 3.864 -5.569 1.00 0.10 H new ATOM 0 HE1 PHE A 413 6.207 -0.670 -5.245 1.00 0.11 H new ATOM 0 HE2 PHE A 413 4.011 2.269 -7.406 1.00 0.11 H new ATOM 0 HZ PHE A 413 4.950 -0.002 -7.250 1.00 0.11 H new ATOM 1453 N ARG A 414 6.695 6.392 -2.219 1.00 0.10 N ATOM 1454 CA ARG A 414 6.672 7.267 -1.083 1.00 0.12 C ATOM 1455 C ARG A 414 5.258 7.732 -0.819 1.00 0.11 C ATOM 1456 O ARG A 414 4.554 8.162 -1.728 1.00 0.15 O ATOM 1457 CB ARG A 414 7.595 8.466 -1.287 1.00 0.20 C ATOM 1458 CG ARG A 414 7.195 9.649 -0.433 1.00 0.35 C ATOM 1459 CD ARG A 414 8.376 10.511 -0.036 1.00 0.37 C ATOM 1460 NE ARG A 414 8.976 11.194 -1.178 1.00 1.21 N ATOM 1461 CZ ARG A 414 9.063 12.520 -1.282 1.00 1.46 C ATOM 1462 NH1 ARG A 414 8.548 13.295 -0.335 1.00 1.06 N ATOM 1463 NH2 ARG A 414 9.642 13.079 -2.337 1.00 2.58 N ATOM 0 H ARG A 414 6.379 6.816 -3.091 1.00 0.10 H new ATOM 0 HA ARG A 414 7.034 6.711 -0.218 1.00 0.12 H new ATOM 0 HB2 ARG A 414 8.619 8.178 -1.049 1.00 0.20 H new ATOM 0 HB3 ARG A 414 7.582 8.758 -2.337 1.00 0.20 H new ATOM 0 HG2 ARG A 414 6.473 10.258 -0.978 1.00 0.35 H new ATOM 0 HG3 ARG A 414 6.694 9.290 0.466 1.00 0.35 H new ATOM 0 HD2 ARG A 414 8.053 11.250 0.697 1.00 0.37 H new ATOM 0 HD3 ARG A 414 9.129 9.890 0.449 1.00 0.37 H new ATOM 0 HE ARG A 414 9.349 10.625 -1.938 1.00 1.21 H new ATOM 0 HH11 ARG A 414 8.086 12.876 0.472 1.00 1.06 H new ATOM 0 HH12 ARG A 414 8.614 14.310 -0.414 1.00 1.06 H new ATOM 0 HH21 ARG A 414 10.026 12.493 -3.078 1.00 2.58 H new ATOM 0 HH22 ARG A 414 9.703 14.095 -2.407 1.00 2.58 H new ATOM 1477 N PHE A 415 4.852 7.628 0.421 1.00 0.10 N ATOM 1478 CA PHE A 415 3.562 8.122 0.844 1.00 0.09 C ATOM 1479 C PHE A 415 3.548 9.642 0.780 1.00 0.11 C ATOM 1480 O PHE A 415 4.279 10.315 1.509 1.00 0.14 O ATOM 1481 CB PHE A 415 3.256 7.659 2.268 1.00 0.10 C ATOM 1482 CG PHE A 415 2.559 6.340 2.371 1.00 0.10 C ATOM 1483 CD1 PHE A 415 1.175 6.281 2.385 1.00 0.11 C ATOM 1484 CD2 PHE A 415 3.280 5.167 2.481 1.00 0.10 C ATOM 1485 CE1 PHE A 415 0.525 5.072 2.496 1.00 0.13 C ATOM 1486 CE2 PHE A 415 2.643 3.956 2.591 1.00 0.11 C ATOM 1487 CZ PHE A 415 1.261 3.904 2.599 1.00 0.12 C ATOM 0 H PHE A 415 5.403 7.200 1.165 1.00 0.10 H new ATOM 0 HA PHE A 415 2.797 7.726 0.176 1.00 0.09 H new ATOM 0 HB2 PHE A 415 4.192 7.602 2.824 1.00 0.10 H new ATOM 0 HB3 PHE A 415 2.641 8.416 2.755 1.00 0.10 H new ATOM 0 HD1 PHE A 415 0.600 7.192 2.308 1.00 0.11 H new ATOM 0 HD2 PHE A 415 4.359 5.203 2.480 1.00 0.10 H new ATOM 0 HE1 PHE A 415 -0.554 5.035 2.503 1.00 0.13 H new ATOM 0 HE2 PHE A 415 3.220 3.046 2.671 1.00 0.11 H new ATOM 0 HZ PHE A 415 0.756 2.953 2.686 1.00 0.12 H new ATOM 1497 N MET A 416 2.750 10.166 -0.141 1.00 0.11 N ATOM 1498 CA MET A 416 2.512 11.603 -0.244 1.00 0.15 C ATOM 1499 C MET A 416 2.070 12.169 1.098 1.00 0.17 C ATOM 1500 O MET A 416 2.445 13.277 1.474 1.00 0.23 O ATOM 1501 CB MET A 416 1.431 11.887 -1.288 1.00 0.15 C ATOM 1502 CG MET A 416 1.928 11.917 -2.721 1.00 0.24 C ATOM 1503 SD MET A 416 3.115 13.242 -3.015 1.00 1.41 S ATOM 1504 CE MET A 416 3.077 13.319 -4.803 1.00 1.47 C ATOM 0 H MET A 416 2.250 9.611 -0.836 1.00 0.11 H new ATOM 0 HA MET A 416 3.445 12.080 -0.545 1.00 0.15 H new ATOM 0 HB2 MET A 416 0.654 11.127 -1.203 1.00 0.15 H new ATOM 0 HB3 MET A 416 0.966 12.846 -1.059 1.00 0.15 H new ATOM 0 HG2 MET A 416 2.391 10.960 -2.961 1.00 0.24 H new ATOM 0 HG3 MET A 416 1.079 12.039 -3.394 1.00 0.24 H new ATOM 0 HE1 MET A 416 3.165 14.357 -5.124 1.00 1.47 H new ATOM 0 HE2 MET A 416 3.907 12.742 -5.210 1.00 1.47 H new ATOM 0 HE3 MET A 416 2.136 12.905 -5.165 1.00 1.47 H new ATOM 1514 N LYS A 417 1.269 11.392 1.810 1.00 0.16 N ATOM 1515 CA LYS A 417 0.766 11.776 3.117 1.00 0.21 C ATOM 1516 C LYS A 417 0.820 10.591 4.058 1.00 0.21 C ATOM 1517 O LYS A 417 1.163 9.481 3.657 1.00 0.22 O ATOM 1518 CB LYS A 417 -0.680 12.257 3.019 1.00 0.29 C ATOM 1519 CG LYS A 417 -0.856 13.621 2.386 1.00 0.57 C ATOM 1520 CD LYS A 417 -2.294 14.081 2.523 1.00 0.54 C ATOM 1521 CE LYS A 417 -2.514 15.454 1.918 1.00 0.84 C ATOM 1522 NZ LYS A 417 -1.755 16.515 2.631 1.00 1.36 N ATOM 0 H LYS A 417 0.949 10.476 1.496 1.00 0.16 H new ATOM 0 HA LYS A 417 1.390 12.585 3.496 1.00 0.21 H new ATOM 0 HB2 LYS A 417 -1.252 11.529 2.444 1.00 0.29 H new ATOM 0 HB3 LYS A 417 -1.109 12.279 4.021 1.00 0.29 H new ATOM 0 HG2 LYS A 417 -0.190 14.340 2.863 1.00 0.57 H new ATOM 0 HG3 LYS A 417 -0.579 13.580 1.333 1.00 0.57 H new ATOM 0 HD2 LYS A 417 -2.952 13.361 2.036 1.00 0.54 H new ATOM 0 HD3 LYS A 417 -2.569 14.102 3.578 1.00 0.54 H new ATOM 0 HE2 LYS A 417 -2.215 15.439 0.870 1.00 0.84 H new ATOM 0 HE3 LYS A 417 -3.577 15.693 1.942 1.00 0.84 H new ATOM 0 HZ1 LYS A 417 -2.065 17.449 2.294 1.00 1.36 H new ATOM 0 HZ2 LYS A 417 -1.930 16.440 3.653 1.00 1.36 H new ATOM 0 HZ3 LYS A 417 -0.738 16.399 2.445 1.00 1.36 H new ATOM 1536 N THR A 418 0.479 10.826 5.309 1.00 0.24 N ATOM 1537 CA THR A 418 0.352 9.748 6.263 1.00 0.24 C ATOM 1538 C THR A 418 -1.122 9.433 6.483 1.00 0.26 C ATOM 1539 O THR A 418 -1.975 10.261 6.176 1.00 0.28 O ATOM 1540 CB THR A 418 1.045 10.089 7.591 1.00 0.26 C ATOM 1541 OG1 THR A 418 0.514 11.296 8.152 1.00 0.35 O ATOM 1542 CG2 THR A 418 2.535 10.237 7.362 1.00 0.22 C ATOM 0 H THR A 418 0.285 11.754 5.686 1.00 0.24 H new ATOM 0 HA THR A 418 0.849 8.866 5.859 1.00 0.24 H new ATOM 0 HB THR A 418 0.862 9.278 8.296 1.00 0.26 H new ATOM 0 HG1 THR A 418 0.749 12.055 7.578 1.00 0.35 H new ATOM 0 HG21 THR A 418 3.026 10.479 8.305 1.00 0.22 H new ATOM 0 HG22 THR A 418 2.938 9.302 6.973 1.00 0.22 H new ATOM 0 HG23 THR A 418 2.715 11.037 6.644 1.00 0.22 H new ATOM 1550 N PRO A 419 -1.442 8.238 7.009 1.00 0.25 N ATOM 1551 CA PRO A 419 -2.820 7.732 7.086 1.00 0.28 C ATOM 1552 C PRO A 419 -3.831 8.746 7.608 1.00 0.31 C ATOM 1553 O PRO A 419 -4.903 8.902 7.032 1.00 0.33 O ATOM 1554 CB PRO A 419 -2.692 6.547 8.038 1.00 0.29 C ATOM 1555 CG PRO A 419 -1.321 6.041 7.775 1.00 0.27 C ATOM 1556 CD PRO A 419 -0.485 7.271 7.579 1.00 0.25 C ATOM 0 HA PRO A 419 -3.207 7.481 6.098 1.00 0.28 H new ATOM 0 HB2 PRO A 419 -2.815 6.851 9.077 1.00 0.29 H new ATOM 0 HB3 PRO A 419 -3.447 5.787 7.837 1.00 0.29 H new ATOM 0 HG2 PRO A 419 -0.954 5.443 8.609 1.00 0.27 H new ATOM 0 HG3 PRO A 419 -1.298 5.403 6.891 1.00 0.27 H new ATOM 0 HD2 PRO A 419 -0.064 7.627 8.520 1.00 0.25 H new ATOM 0 HD3 PRO A 419 0.352 7.087 6.905 1.00 0.25 H new ATOM 1564 N ASP A 420 -3.481 9.443 8.674 1.00 0.35 N ATOM 1565 CA ASP A 420 -4.385 10.422 9.279 1.00 0.42 C ATOM 1566 C ASP A 420 -4.706 11.544 8.294 1.00 0.43 C ATOM 1567 O ASP A 420 -5.838 12.017 8.215 1.00 0.48 O ATOM 1568 CB ASP A 420 -3.759 11.003 10.547 1.00 0.49 C ATOM 1569 CG ASP A 420 -4.751 11.775 11.390 1.00 0.62 C ATOM 1570 OD1 ASP A 420 -5.557 11.146 12.104 1.00 0.74 O ATOM 1571 OD2 ASP A 420 -4.739 13.021 11.330 1.00 0.72 O ATOM 0 H ASP A 420 -2.580 9.354 9.143 1.00 0.35 H new ATOM 0 HA ASP A 420 -5.314 9.915 9.539 1.00 0.42 H new ATOM 0 HB2 ASP A 420 -3.336 10.193 11.142 1.00 0.49 H new ATOM 0 HB3 ASP A 420 -2.934 11.660 10.271 1.00 0.49 H new ATOM 1576 N GLU A 421 -3.699 11.941 7.529 1.00 0.42 N ATOM 1577 CA GLU A 421 -3.842 12.974 6.520 1.00 0.45 C ATOM 1578 C GLU A 421 -4.613 12.457 5.310 1.00 0.42 C ATOM 1579 O GLU A 421 -5.257 13.217 4.596 1.00 0.49 O ATOM 1580 CB GLU A 421 -2.466 13.431 6.068 1.00 0.49 C ATOM 1581 CG GLU A 421 -1.578 13.953 7.179 1.00 0.81 C ATOM 1582 CD GLU A 421 -0.201 14.308 6.669 1.00 1.60 C ATOM 1583 OE1 GLU A 421 0.677 13.417 6.639 1.00 2.21 O ATOM 1584 OE2 GLU A 421 0.017 15.484 6.314 1.00 2.17 O ATOM 0 H GLU A 421 -2.758 11.553 7.593 1.00 0.42 H new ATOM 0 HA GLU A 421 -4.395 13.805 6.958 1.00 0.45 H new ATOM 0 HB2 GLU A 421 -1.963 12.596 5.580 1.00 0.49 H new ATOM 0 HB3 GLU A 421 -2.586 14.213 5.318 1.00 0.49 H new ATOM 0 HG2 GLU A 421 -2.038 14.832 7.630 1.00 0.81 H new ATOM 0 HG3 GLU A 421 -1.494 13.200 7.963 1.00 0.81 H new ATOM 1591 N ILE A 422 -4.500 11.163 5.061 1.00 0.34 N ATOM 1592 CA ILE A 422 -5.092 10.558 3.876 1.00 0.33 C ATOM 1593 C ILE A 422 -6.558 10.190 4.103 1.00 0.36 C ATOM 1594 O ILE A 422 -7.422 10.471 3.267 1.00 0.39 O ATOM 1595 CB ILE A 422 -4.332 9.283 3.464 1.00 0.29 C ATOM 1596 CG1 ILE A 422 -2.841 9.564 3.289 1.00 0.27 C ATOM 1597 CG2 ILE A 422 -4.918 8.727 2.186 1.00 0.32 C ATOM 1598 CD1 ILE A 422 -2.040 8.348 2.877 1.00 0.27 C ATOM 0 H ILE A 422 -4.003 10.508 5.665 1.00 0.34 H new ATOM 0 HA ILE A 422 -5.024 11.303 3.083 1.00 0.33 H new ATOM 0 HB ILE A 422 -4.441 8.544 4.258 1.00 0.29 H new ATOM 0 HG12 ILE A 422 -2.712 10.345 2.539 1.00 0.27 H new ATOM 0 HG13 ILE A 422 -2.441 9.952 4.225 1.00 0.27 H new ATOM 0 HG21 ILE A 422 -4.377 7.825 1.900 1.00 0.32 H new ATOM 0 HG22 ILE A 422 -5.969 8.485 2.343 1.00 0.32 H new ATOM 0 HG23 ILE A 422 -4.831 9.470 1.393 1.00 0.32 H new ATOM 0 HD11 ILE A 422 -0.990 8.622 2.772 1.00 0.27 H new ATOM 0 HD12 ILE A 422 -2.138 7.573 3.637 1.00 0.27 H new ATOM 0 HD13 ILE A 422 -2.414 7.971 1.925 1.00 0.27 H new ATOM 1610 N MET A 423 -6.830 9.571 5.248 1.00 0.42 N ATOM 1611 CA MET A 423 -8.145 9.016 5.554 1.00 0.51 C ATOM 1612 C MET A 423 -9.177 10.096 5.803 1.00 0.58 C ATOM 1613 O MET A 423 -10.366 9.820 5.957 1.00 0.71 O ATOM 1614 CB MET A 423 -8.046 8.095 6.762 1.00 0.58 C ATOM 1615 CG MET A 423 -7.199 6.880 6.479 1.00 0.58 C ATOM 1616 SD MET A 423 -7.305 5.614 7.761 1.00 0.90 S ATOM 1617 CE MET A 423 -6.594 6.482 9.157 1.00 2.01 C ATOM 0 H MET A 423 -6.144 9.440 5.991 1.00 0.42 H new ATOM 0 HA MET A 423 -8.476 8.448 4.684 1.00 0.51 H new ATOM 0 HB2 MET A 423 -7.622 8.644 7.603 1.00 0.58 H new ATOM 0 HB3 MET A 423 -9.046 7.779 7.059 1.00 0.58 H new ATOM 0 HG2 MET A 423 -7.505 6.448 5.526 1.00 0.58 H new ATOM 0 HG3 MET A 423 -6.159 7.189 6.370 1.00 0.58 H new ATOM 0 HE1 MET A 423 -6.459 5.788 9.987 1.00 2.01 H new ATOM 0 HE2 MET A 423 -5.628 6.900 8.872 1.00 2.01 H new ATOM 0 HE3 MET A 423 -7.262 7.287 9.463 1.00 2.01 H new ATOM 1627 N SER A 424 -8.715 11.319 5.804 1.00 0.59 N ATOM 1628 CA SER A 424 -9.574 12.465 6.050 1.00 0.72 C ATOM 1629 C SER A 424 -10.233 12.957 4.755 1.00 0.67 C ATOM 1630 O SER A 424 -10.415 14.161 4.555 1.00 1.09 O ATOM 1631 CB SER A 424 -8.766 13.585 6.712 1.00 0.92 C ATOM 1632 OG SER A 424 -7.588 13.863 5.980 1.00 1.57 O ATOM 0 H SER A 424 -7.737 11.556 5.636 1.00 0.59 H new ATOM 0 HA SER A 424 -10.374 12.159 6.725 1.00 0.72 H new ATOM 0 HB2 SER A 424 -9.376 14.486 6.781 1.00 0.92 H new ATOM 0 HB3 SER A 424 -8.506 13.297 7.731 1.00 0.92 H new ATOM 0 HG SER A 424 -7.090 14.582 6.422 1.00 1.57 H new ATOM 1638 N GLY A 425 -10.590 12.020 3.877 1.00 0.43 N ATOM 1639 CA GLY A 425 -11.307 12.374 2.664 1.00 0.42 C ATOM 1640 C GLY A 425 -10.854 11.600 1.443 1.00 0.37 C ATOM 1641 O GLY A 425 -11.634 10.850 0.859 1.00 0.50 O ATOM 0 H GLY A 425 -10.395 11.025 3.985 1.00 0.43 H new ATOM 0 HA2 GLY A 425 -12.372 12.202 2.818 1.00 0.42 H new ATOM 0 HA3 GLY A 425 -11.181 13.440 2.475 1.00 0.42 H new ATOM 1645 N ARG A 426 -9.593 11.784 1.067 1.00 0.38 N ATOM 1646 CA ARG A 426 -9.032 11.220 -0.153 1.00 0.36 C ATOM 1647 C ARG A 426 -9.384 9.744 -0.359 1.00 0.33 C ATOM 1648 O ARG A 426 -9.921 9.360 -1.396 1.00 0.34 O ATOM 1649 CB ARG A 426 -7.521 11.399 -0.133 1.00 0.39 C ATOM 1650 CG ARG A 426 -7.090 12.802 -0.226 1.00 0.56 C ATOM 1651 CD ARG A 426 -6.653 13.311 1.091 1.00 0.92 C ATOM 1652 NE ARG A 426 -6.681 14.775 1.158 1.00 1.37 N ATOM 1653 CZ ARG A 426 -6.922 15.483 2.262 1.00 2.06 C ATOM 1654 NH1 ARG A 426 -7.162 14.874 3.414 1.00 2.63 N ATOM 1655 NH2 ARG A 426 -6.904 16.808 2.213 1.00 2.67 N ATOM 0 H ARG A 426 -8.926 12.335 1.607 1.00 0.38 H new ATOM 0 HA ARG A 426 -9.475 11.757 -0.992 1.00 0.36 H new ATOM 0 HB2 ARG A 426 -7.125 10.967 0.786 1.00 0.39 H new ATOM 0 HB3 ARG A 426 -7.087 10.839 -0.961 1.00 0.39 H new ATOM 0 HG2 ARG A 426 -6.273 12.888 -0.942 1.00 0.56 H new ATOM 0 HG3 ARG A 426 -7.910 13.414 -0.602 1.00 0.56 H new ATOM 0 HD2 ARG A 426 -7.298 12.901 1.869 1.00 0.92 H new ATOM 0 HD3 ARG A 426 -5.642 12.959 1.297 1.00 0.92 H new ATOM 0 HE ARG A 426 -6.503 15.291 0.296 1.00 1.37 H new ATOM 0 HH11 ARG A 426 -7.163 13.855 3.462 1.00 2.63 H new ATOM 0 HH12 ARG A 426 -7.345 15.424 4.253 1.00 2.63 H new ATOM 0 HH21 ARG A 426 -6.706 17.283 1.332 1.00 2.67 H new ATOM 0 HH22 ARG A 426 -7.088 17.352 3.056 1.00 2.67 H new ATOM 1669 N THR A 427 -9.093 8.929 0.640 1.00 0.33 N ATOM 1670 CA THR A 427 -9.261 7.479 0.525 1.00 0.37 C ATOM 1671 C THR A 427 -10.570 6.990 1.148 1.00 0.43 C ATOM 1672 O THR A 427 -10.750 5.792 1.380 1.00 0.58 O ATOM 1673 CB THR A 427 -8.054 6.746 1.152 1.00 0.63 C ATOM 1674 OG1 THR A 427 -8.244 5.334 1.149 1.00 1.24 O ATOM 1675 CG2 THR A 427 -7.806 7.212 2.563 1.00 0.41 C ATOM 0 H THR A 427 -8.738 9.241 1.544 1.00 0.33 H new ATOM 0 HA THR A 427 -9.309 7.245 -0.538 1.00 0.37 H new ATOM 0 HB THR A 427 -7.185 6.986 0.539 1.00 0.63 H new ATOM 0 HG1 THR A 427 -9.141 5.124 1.483 1.00 1.24 H new ATOM 0 HG21 THR A 427 -6.951 6.678 2.977 1.00 0.41 H new ATOM 0 HG22 THR A 427 -7.600 8.282 2.562 1.00 0.41 H new ATOM 0 HG23 THR A 427 -8.688 7.013 3.172 1.00 0.41 H new ATOM 1683 N ASP A 428 -11.499 7.909 1.377 1.00 0.45 N ATOM 1684 CA ASP A 428 -12.823 7.545 1.878 1.00 0.62 C ATOM 1685 C ASP A 428 -13.526 6.620 0.891 1.00 0.61 C ATOM 1686 O ASP A 428 -14.027 5.559 1.255 1.00 0.78 O ATOM 1687 CB ASP A 428 -13.667 8.800 2.123 1.00 0.74 C ATOM 1688 CG ASP A 428 -15.159 8.540 2.013 1.00 1.27 C ATOM 1689 OD1 ASP A 428 -15.737 7.913 2.929 1.00 1.63 O ATOM 1690 OD2 ASP A 428 -15.761 8.969 1.006 1.00 1.75 O ATOM 0 H ASP A 428 -11.364 8.909 1.225 1.00 0.45 H new ATOM 0 HA ASP A 428 -12.702 7.019 2.825 1.00 0.62 H new ATOM 0 HB2 ASP A 428 -13.444 9.194 3.115 1.00 0.74 H new ATOM 0 HB3 ASP A 428 -13.383 9.568 1.404 1.00 0.74 H new ATOM 1695 N ARG A 429 -13.514 7.019 -0.371 1.00 0.54 N ATOM 1696 CA ARG A 429 -14.172 6.259 -1.427 1.00 0.65 C ATOM 1697 C ARG A 429 -13.404 4.977 -1.698 1.00 0.55 C ATOM 1698 O ARG A 429 -13.967 3.952 -2.080 1.00 0.66 O ATOM 1699 CB ARG A 429 -14.237 7.096 -2.698 1.00 0.81 C ATOM 1700 CG ARG A 429 -14.461 8.562 -2.413 1.00 0.98 C ATOM 1701 CD ARG A 429 -14.510 9.396 -3.681 1.00 1.12 C ATOM 1702 NE ARG A 429 -14.658 10.818 -3.382 1.00 1.64 N ATOM 1703 CZ ARG A 429 -14.343 11.798 -4.226 1.00 2.03 C ATOM 1704 NH1 ARG A 429 -13.871 11.519 -5.436 1.00 2.00 N ATOM 1705 NH2 ARG A 429 -14.504 13.062 -3.860 1.00 3.05 N ATOM 0 H ARG A 429 -13.053 7.870 -0.692 1.00 0.54 H new ATOM 0 HA ARG A 429 -15.184 6.008 -1.108 1.00 0.65 H new ATOM 0 HB2 ARG A 429 -13.309 6.975 -3.257 1.00 0.81 H new ATOM 0 HB3 ARG A 429 -15.042 6.725 -3.333 1.00 0.81 H new ATOM 0 HG2 ARG A 429 -15.395 8.684 -1.864 1.00 0.98 H new ATOM 0 HG3 ARG A 429 -13.662 8.931 -1.769 1.00 0.98 H new ATOM 0 HD2 ARG A 429 -13.598 9.237 -4.257 1.00 1.12 H new ATOM 0 HD3 ARG A 429 -15.342 9.066 -4.303 1.00 1.12 H new ATOM 0 HE ARG A 429 -15.027 11.077 -2.467 1.00 1.64 H new ATOM 0 HH11 ARG A 429 -13.748 10.548 -5.724 1.00 2.00 H new ATOM 0 HH12 ARG A 429 -13.632 12.275 -6.077 1.00 2.00 H new ATOM 0 HH21 ARG A 429 -14.869 13.282 -2.933 1.00 3.05 H new ATOM 0 HH22 ARG A 429 -14.263 13.814 -4.505 1.00 3.05 H new ATOM 1719 N LEU A 430 -12.110 5.061 -1.460 1.00 0.42 N ATOM 1720 CA LEU A 430 -11.172 3.988 -1.749 1.00 0.36 C ATOM 1721 C LEU A 430 -11.463 2.714 -0.983 1.00 0.39 C ATOM 1722 O LEU A 430 -11.449 1.620 -1.547 1.00 0.45 O ATOM 1723 CB LEU A 430 -9.782 4.459 -1.416 1.00 0.31 C ATOM 1724 CG LEU A 430 -9.052 5.132 -2.545 1.00 0.28 C ATOM 1725 CD1 LEU A 430 -7.758 5.659 -2.014 1.00 0.64 C ATOM 1726 CD2 LEU A 430 -8.805 4.155 -3.677 1.00 0.56 C ATOM 0 H LEU A 430 -11.672 5.888 -1.054 1.00 0.42 H new ATOM 0 HA LEU A 430 -11.271 3.748 -2.808 1.00 0.36 H new ATOM 0 HB2 LEU A 430 -9.841 5.152 -0.577 1.00 0.31 H new ATOM 0 HB3 LEU A 430 -9.195 3.603 -1.082 1.00 0.31 H new ATOM 0 HG LEU A 430 -9.653 5.950 -2.942 1.00 0.28 H new ATOM 0 HD11 LEU A 430 -7.210 6.153 -2.816 1.00 0.64 H new ATOM 0 HD12 LEU A 430 -7.957 6.375 -1.216 1.00 0.64 H new ATOM 0 HD13 LEU A 430 -7.163 4.834 -1.622 1.00 0.64 H new ATOM 0 HD21 LEU A 430 -8.276 4.660 -4.485 1.00 0.56 H new ATOM 0 HD22 LEU A 430 -8.203 3.322 -3.314 1.00 0.56 H new ATOM 0 HD23 LEU A 430 -9.759 3.779 -4.048 1.00 0.56 H new ATOM 1738 N GLU A 431 -11.711 2.872 0.300 1.00 0.42 N ATOM 1739 CA GLU A 431 -11.995 1.750 1.198 1.00 0.53 C ATOM 1740 C GLU A 431 -13.057 0.810 0.619 1.00 0.59 C ATOM 1741 O GLU A 431 -13.071 -0.383 0.916 1.00 0.72 O ATOM 1742 CB GLU A 431 -12.481 2.276 2.546 1.00 0.61 C ATOM 1743 CG GLU A 431 -11.556 3.295 3.184 1.00 0.73 C ATOM 1744 CD GLU A 431 -12.185 3.953 4.393 1.00 0.97 C ATOM 1745 OE1 GLU A 431 -12.060 3.403 5.508 1.00 1.31 O ATOM 1746 OE2 GLU A 431 -12.792 5.030 4.240 1.00 1.25 O ATOM 0 H GLU A 431 -11.724 3.782 0.761 1.00 0.42 H new ATOM 0 HA GLU A 431 -11.069 1.188 1.320 1.00 0.53 H new ATOM 0 HB2 GLU A 431 -13.465 2.727 2.415 1.00 0.61 H new ATOM 0 HB3 GLU A 431 -12.604 1.435 3.229 1.00 0.61 H new ATOM 0 HG2 GLU A 431 -10.627 2.807 3.479 1.00 0.73 H new ATOM 0 HG3 GLU A 431 -11.296 4.058 2.450 1.00 0.73 H new ATOM 1753 N HIS A 432 -13.927 1.354 -0.224 1.00 0.58 N ATOM 1754 CA HIS A 432 -15.053 0.600 -0.761 1.00 0.66 C ATOM 1755 C HIS A 432 -14.624 -0.294 -1.924 1.00 0.60 C ATOM 1756 O HIS A 432 -15.112 -1.415 -2.065 1.00 0.72 O ATOM 1757 CB HIS A 432 -16.168 1.552 -1.200 1.00 0.76 C ATOM 1758 CG HIS A 432 -16.667 2.428 -0.094 1.00 1.72 C ATOM 1759 ND1 HIS A 432 -17.838 2.201 0.590 1.00 2.60 N ATOM 1760 CD2 HIS A 432 -16.119 3.530 0.458 1.00 2.20 C ATOM 1761 CE1 HIS A 432 -17.989 3.129 1.518 1.00 3.59 C ATOM 1762 NE2 HIS A 432 -16.957 3.950 1.462 1.00 3.38 N ATOM 0 H HIS A 432 -13.873 2.319 -0.551 1.00 0.58 H new ATOM 0 HA HIS A 432 -15.431 -0.046 0.031 1.00 0.66 H new ATOM 0 HB2 HIS A 432 -15.802 2.178 -2.014 1.00 0.76 H new ATOM 0 HB3 HIS A 432 -17.000 0.969 -1.596 1.00 0.76 H new ATOM 0 HD2 HIS A 432 -15.191 3.997 0.164 1.00 2.20 H new ATOM 0 HE1 HIS A 432 -18.818 3.203 2.207 1.00 3.59 H new ATOM 0 HE2 HIS A 432 -16.807 4.760 2.063 1.00 3.38 H new ATOM 1771 N LEU A 433 -13.702 0.188 -2.750 1.00 0.50 N ATOM 1772 CA LEU A 433 -13.232 -0.591 -3.894 1.00 0.53 C ATOM 1773 C LEU A 433 -12.116 -1.537 -3.481 1.00 0.54 C ATOM 1774 O LEU A 433 -11.919 -2.589 -4.081 1.00 0.67 O ATOM 1775 CB LEU A 433 -12.756 0.312 -5.029 1.00 0.60 C ATOM 1776 CG LEU A 433 -11.662 1.306 -4.671 1.00 0.57 C ATOM 1777 CD1 LEU A 433 -10.580 1.316 -5.739 1.00 0.65 C ATOM 1778 CD2 LEU A 433 -12.254 2.693 -4.515 1.00 0.88 C ATOM 0 H LEU A 433 -13.267 1.106 -2.652 1.00 0.50 H new ATOM 0 HA LEU A 433 -14.077 -1.177 -4.256 1.00 0.53 H new ATOM 0 HB2 LEU A 433 -12.396 -0.318 -5.842 1.00 0.60 H new ATOM 0 HB3 LEU A 433 -13.613 0.866 -5.411 1.00 0.60 H new ATOM 0 HG LEU A 433 -11.211 1.003 -3.726 1.00 0.57 H new ATOM 0 HD11 LEU A 433 -9.806 2.033 -5.466 1.00 0.65 H new ATOM 0 HD12 LEU A 433 -10.141 0.322 -5.821 1.00 0.65 H new ATOM 0 HD13 LEU A 433 -11.016 1.600 -6.696 1.00 0.65 H new ATOM 0 HD21 LEU A 433 -11.464 3.399 -4.259 1.00 0.88 H new ATOM 0 HD22 LEU A 433 -12.722 2.996 -5.452 1.00 0.88 H new ATOM 0 HD23 LEU A 433 -13.002 2.682 -3.722 1.00 0.88 H new ATOM 1790 N GLU A 434 -11.386 -1.150 -2.454 1.00 0.49 N ATOM 1791 CA GLU A 434 -10.343 -2.004 -1.892 1.00 0.60 C ATOM 1792 C GLU A 434 -10.922 -3.262 -1.252 1.00 0.76 C ATOM 1793 O GLU A 434 -10.198 -4.217 -0.963 1.00 1.02 O ATOM 1794 CB GLU A 434 -9.506 -1.228 -0.883 1.00 0.54 C ATOM 1795 CG GLU A 434 -8.629 -0.187 -1.544 1.00 0.63 C ATOM 1796 CD GLU A 434 -7.875 -0.757 -2.722 1.00 1.10 C ATOM 1797 OE1 GLU A 434 -6.900 -1.495 -2.502 1.00 1.36 O ATOM 1798 OE2 GLU A 434 -8.270 -0.482 -3.872 1.00 1.90 O ATOM 0 H GLU A 434 -11.491 -0.249 -1.987 1.00 0.49 H new ATOM 0 HA GLU A 434 -9.701 -2.322 -2.714 1.00 0.60 H new ATOM 0 HB2 GLU A 434 -10.166 -0.741 -0.165 1.00 0.54 H new ATOM 0 HB3 GLU A 434 -8.881 -1.923 -0.322 1.00 0.54 H new ATOM 0 HG2 GLU A 434 -9.244 0.649 -1.876 1.00 0.63 H new ATOM 0 HG3 GLU A 434 -7.921 0.208 -0.815 1.00 0.63 H new ATOM 1805 N SER A 435 -12.231 -3.262 -1.062 1.00 0.72 N ATOM 1806 CA SER A 435 -12.935 -4.410 -0.506 1.00 0.89 C ATOM 1807 C SER A 435 -12.961 -5.559 -1.515 1.00 1.03 C ATOM 1808 O SER A 435 -13.219 -6.714 -1.162 1.00 1.20 O ATOM 1809 CB SER A 435 -14.358 -4.007 -0.118 1.00 0.97 C ATOM 1810 OG SER A 435 -15.047 -5.070 0.526 1.00 1.47 O ATOM 0 H SER A 435 -12.835 -2.471 -1.287 1.00 0.72 H new ATOM 0 HA SER A 435 -12.409 -4.750 0.386 1.00 0.89 H new ATOM 0 HB2 SER A 435 -14.324 -3.142 0.544 1.00 0.97 H new ATOM 0 HB3 SER A 435 -14.907 -3.705 -1.010 1.00 0.97 H new ATOM 0 HG SER A 435 -15.952 -4.778 0.762 1.00 1.47 H new ATOM 1816 N GLN A 436 -12.694 -5.229 -2.771 1.00 1.04 N ATOM 1817 CA GLN A 436 -12.675 -6.210 -3.839 1.00 1.24 C ATOM 1818 C GLN A 436 -11.367 -6.989 -3.813 1.00 1.47 C ATOM 1819 O GLN A 436 -11.304 -8.019 -3.116 1.00 1.78 O ATOM 1820 CB GLN A 436 -12.841 -5.513 -5.188 1.00 1.17 C ATOM 1821 CG GLN A 436 -14.043 -4.588 -5.252 1.00 1.30 C ATOM 1822 CD GLN A 436 -14.159 -3.887 -6.588 1.00 2.00 C ATOM 1823 OE1 GLN A 436 -13.603 -2.805 -6.791 1.00 2.65 O ATOM 1824 NE2 GLN A 436 -14.891 -4.491 -7.503 1.00 2.60 N ATOM 1825 OXT GLN A 436 -10.397 -6.550 -4.469 1.00 2.10 O ATOM 0 H GLN A 436 -12.486 -4.278 -3.074 1.00 1.04 H new ATOM 0 HA GLN A 436 -13.501 -6.906 -3.694 1.00 1.24 H new ATOM 0 HB2 GLN A 436 -11.940 -4.939 -5.404 1.00 1.17 H new ATOM 0 HB3 GLN A 436 -12.933 -6.268 -5.969 1.00 1.17 H new ATOM 0 HG2 GLN A 436 -14.951 -5.162 -5.066 1.00 1.30 H new ATOM 0 HG3 GLN A 436 -13.968 -3.844 -4.459 1.00 1.30 H new ATOM 0 HE21 GLN A 436 -15.334 -5.386 -7.293 1.00 2.60 H new ATOM 0 HE22 GLN A 436 -15.015 -4.064 -8.421 1.00 2.60 H new TER 1834 GLN A 436