USER MOD reduce.3.24.130724 H: found=0, std=0, add=818, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 821 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 29 LYS NZ :NH3+ -120:sc= 0.672 (180deg=-0.324) USER MOD Set 1.2: A 74 CYS SG : rot -100:sc= -0.455 USER MOD Single : A 1 SER N :NH3+ -129:sc= 1.42 (180deg=-0.366!) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 CYS SG : rot -67:sc= -3.67! USER MOD Single : A 8 LYS NZ :NH3+ -155:sc= 0.00129 (180deg=0) USER MOD Single : A 10 MET CE :methyl 163:sc= -1.44 (180deg=-2.28) USER MOD Single : A 11 SER OG : rot 180:sc= 0.0433 USER MOD Single : A 12 TYR OH : rot 180:sc= -0.277 USER MOD Single : A 15 LYS NZ :NH3+ 159:sc= 1.2 (180deg=1.13) USER MOD Single : A 17 GLN : amide:sc= 1.51 K(o=1.5,f=-4.8!) USER MOD Single : A 19 SER OG : rot 180:sc= -3.09! USER MOD Single : A 23 ASN : amide:sc= -0.0241 X(o=-0.024,f=-0.062) USER MOD Single : A 24 LYS NZ :NH3+ -172:sc=-0.00139 (180deg=-0.0969) USER MOD Single : A 35 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 38 GLN : amide:sc= -0.745 K(o=-0.75,f=-2.6!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 47 SER OG : rot 86:sc= 1.21 USER MOD Single : A 48 ASN : amide:sc= -0.013 X(o=-0.013,f=-0.45) USER MOD Single : A 58 THR OG1 : rot -15:sc= -0.702 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 1.97 (180deg=1.97) USER MOD Single : A 62 SER OG : rot 180:sc= 0.0489 USER MOD Single : A 63 THR OG1 : rot 157:sc= 0.568 USER MOD Single : A 70 TYR OH : rot 161:sc= 0.687 USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.598 USER MOD Single : A 73 SER OG : rot 106:sc= 1.27 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ -173:sc=-0.000698 (180deg=-0.059) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 GLN : amide:sc= -0.0365 K(o=-0.036,f=-1.3!) USER MOD Single : B 203 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 205 LYS NZ :NH3+ -169:sc= 0.328 (180deg=-0.396) USER MOD Single : B 207 THR OG1 : rot 44:sc= 0.0498 USER MOD Single : B 208 LYS NZ :NH3+ -165:sc= -0.49! (180deg=-0.681!) USER MOD Single : B 209 THR OG1 : rot -5:sc= 0.983 USER MOD Single : B 211 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 212 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -11.858 -4.035 -14.128 1.00 0.00 N ATOM 2 CA SER A 1 -13.278 -4.428 -14.220 1.00 0.00 C ATOM 3 C SER A 1 -14.127 -3.564 -13.273 1.00 0.00 C ATOM 4 O SER A 1 -13.603 -2.629 -12.671 1.00 0.00 O ATOM 5 CB SER A 1 -13.415 -5.926 -13.874 1.00 0.00 C ATOM 6 OG SER A 1 -12.895 -6.742 -14.912 1.00 0.00 O ATOM 0 H1 SER A 1 -11.483 -3.863 -15.083 1.00 0.00 H new ATOM 0 H2 SER A 1 -11.774 -3.167 -13.562 1.00 0.00 H new ATOM 0 H3 SER A 1 -11.315 -4.798 -13.675 1.00 0.00 H new ATOM 0 HA SER A 1 -13.639 -4.268 -15.236 1.00 0.00 H new ATOM 0 HB2 SER A 1 -12.888 -6.137 -12.944 1.00 0.00 H new ATOM 0 HB3 SER A 1 -14.464 -6.169 -13.708 1.00 0.00 H new ATOM 0 HG SER A 1 -12.993 -7.686 -14.666 1.00 0.00 H new ATOM 14 N GLU A 2 -15.422 -3.867 -13.123 1.00 0.00 N ATOM 15 CA GLU A 2 -16.312 -2.999 -12.348 1.00 0.00 C ATOM 16 C GLU A 2 -16.175 -3.232 -10.844 1.00 0.00 C ATOM 17 O GLU A 2 -15.795 -2.322 -10.104 1.00 0.00 O ATOM 18 CB GLU A 2 -17.783 -3.181 -12.752 1.00 0.00 C ATOM 19 CG GLU A 2 -18.094 -2.796 -14.191 1.00 0.00 C ATOM 20 CD GLU A 2 -17.731 -1.361 -14.506 1.00 0.00 C ATOM 21 OE1 GLU A 2 -18.443 -0.446 -14.043 1.00 0.00 O ATOM 22 OE2 GLU A 2 -16.736 -1.140 -15.224 1.00 0.00 O ATOM 0 H GLU A 2 -15.870 -4.692 -13.521 1.00 0.00 H new ATOM 0 HA GLU A 2 -16.004 -1.978 -12.575 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -18.062 -4.224 -12.600 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -18.406 -2.584 -12.086 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -17.552 -3.459 -14.865 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -19.157 -2.947 -14.381 1.00 0.00 H new ATOM 29 N GLU A 3 -16.468 -4.453 -10.403 1.00 0.00 N ATOM 30 CA GLU A 3 -16.568 -4.762 -8.973 1.00 0.00 C ATOM 31 C GLU A 3 -15.265 -4.513 -8.216 1.00 0.00 C ATOM 32 O GLU A 3 -15.286 -4.281 -7.007 1.00 0.00 O ATOM 33 CB GLU A 3 -17.007 -6.212 -8.763 1.00 0.00 C ATOM 34 CG GLU A 3 -18.444 -6.494 -9.171 1.00 0.00 C ATOM 35 CD GLU A 3 -18.845 -7.923 -8.883 1.00 0.00 C ATOM 36 OE1 GLU A 3 -18.824 -8.323 -7.699 1.00 0.00 O ATOM 37 OE2 GLU A 3 -19.170 -8.659 -9.835 1.00 0.00 O ATOM 0 H GLU A 3 -16.642 -5.250 -11.016 1.00 0.00 H new ATOM 0 HA GLU A 3 -17.318 -4.083 -8.568 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -16.345 -6.866 -9.331 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -16.883 -6.469 -7.711 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -19.111 -5.816 -8.639 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -18.565 -6.291 -10.235 1.00 0.00 H new ATOM 44 N GLU A 4 -14.137 -4.559 -8.912 1.00 0.00 N ATOM 45 CA GLU A 4 -12.847 -4.332 -8.258 1.00 0.00 C ATOM 46 C GLU A 4 -12.683 -2.857 -7.894 1.00 0.00 C ATOM 47 O GLU A 4 -12.110 -2.525 -6.858 1.00 0.00 O ATOM 48 CB GLU A 4 -11.671 -4.800 -9.130 1.00 0.00 C ATOM 49 CG GLU A 4 -11.590 -4.099 -10.473 1.00 0.00 C ATOM 50 CD GLU A 4 -10.371 -4.501 -11.265 1.00 0.00 C ATOM 51 OE1 GLU A 4 -9.265 -4.022 -10.946 1.00 0.00 O ATOM 52 OE2 GLU A 4 -10.513 -5.292 -12.216 1.00 0.00 O ATOM 0 H GLU A 4 -14.084 -4.748 -9.913 1.00 0.00 H new ATOM 0 HA GLU A 4 -12.837 -4.927 -7.345 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -10.740 -4.635 -8.588 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -11.758 -5.874 -9.295 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -12.486 -4.326 -11.052 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -11.577 -3.021 -10.315 1.00 0.00 H new ATOM 59 N ASP A 5 -13.202 -1.969 -8.740 1.00 0.00 N ATOM 60 CA ASP A 5 -13.133 -0.541 -8.462 1.00 0.00 C ATOM 61 C ASP A 5 -14.342 -0.113 -7.642 1.00 0.00 C ATOM 62 O ASP A 5 -14.358 0.966 -7.050 1.00 0.00 O ATOM 63 CB ASP A 5 -13.041 0.294 -9.750 1.00 0.00 C ATOM 64 CG ASP A 5 -11.760 0.057 -10.523 1.00 0.00 C ATOM 65 OD1 ASP A 5 -10.681 -0.038 -9.898 1.00 0.00 O ATOM 66 OD2 ASP A 5 -11.822 -0.008 -11.768 1.00 0.00 O ATOM 0 H ASP A 5 -13.669 -2.212 -9.613 1.00 0.00 H new ATOM 0 HA ASP A 5 -12.222 -0.359 -7.891 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -13.892 0.060 -10.389 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -13.115 1.351 -9.496 1.00 0.00 H new ATOM 71 N LYS A 6 -15.351 -0.979 -7.597 1.00 0.00 N ATOM 72 CA LYS A 6 -16.572 -0.701 -6.854 1.00 0.00 C ATOM 73 C LYS A 6 -16.589 -1.552 -5.585 1.00 0.00 C ATOM 74 O LYS A 6 -17.641 -1.972 -5.097 1.00 0.00 O ATOM 75 CB LYS A 6 -17.797 -0.989 -7.731 1.00 0.00 C ATOM 76 CG LYS A 6 -19.105 -0.421 -7.188 1.00 0.00 C ATOM 77 CD LYS A 6 -19.078 1.097 -7.148 1.00 0.00 C ATOM 78 CE LYS A 6 -20.405 1.665 -6.670 1.00 0.00 C ATOM 79 NZ LYS A 6 -20.370 3.146 -6.580 1.00 0.00 N ATOM 0 H LYS A 6 -15.344 -1.883 -8.070 1.00 0.00 H new ATOM 0 HA LYS A 6 -16.604 0.351 -6.571 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -17.622 -0.579 -8.726 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -17.902 -2.068 -7.845 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -19.935 -0.755 -7.811 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -19.283 -0.809 -6.185 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -18.279 1.431 -6.486 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -18.852 1.484 -8.141 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -21.198 1.361 -7.353 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -20.649 1.247 -5.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -21.292 3.496 -6.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -19.630 3.436 -5.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -20.163 3.546 -7.517 1.00 0.00 H new ATOM 93 N CYS A 7 -15.398 -1.813 -5.072 1.00 0.00 N ATOM 94 CA CYS A 7 -15.239 -2.617 -3.869 1.00 0.00 C ATOM 95 C CYS A 7 -15.633 -1.812 -2.639 1.00 0.00 C ATOM 96 O CYS A 7 -15.540 -0.584 -2.623 1.00 0.00 O ATOM 97 CB CYS A 7 -13.795 -3.121 -3.734 1.00 0.00 C ATOM 98 SG CYS A 7 -13.567 -4.359 -2.434 1.00 0.00 S ATOM 0 H CYS A 7 -14.522 -1.478 -5.472 1.00 0.00 H new ATOM 0 HA CYS A 7 -15.897 -3.482 -3.949 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -13.479 -3.547 -4.686 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -13.142 -2.272 -3.532 1.00 0.00 H new ATOM 0 HG CYS A 7 -13.770 -3.811 -1.273 1.00 0.00 H new ATOM 104 N LYS A 8 -16.094 -2.516 -1.622 1.00 0.00 N ATOM 105 CA LYS A 8 -16.512 -1.898 -0.376 1.00 0.00 C ATOM 106 C LYS A 8 -15.297 -1.607 0.497 1.00 0.00 C ATOM 107 O LYS A 8 -14.303 -2.335 0.447 1.00 0.00 O ATOM 108 CB LYS A 8 -17.493 -2.818 0.359 1.00 0.00 C ATOM 109 CG LYS A 8 -18.920 -2.769 -0.178 1.00 0.00 C ATOM 110 CD LYS A 8 -18.998 -3.134 -1.652 1.00 0.00 C ATOM 111 CE LYS A 8 -20.417 -3.038 -2.183 1.00 0.00 C ATOM 112 NZ LYS A 8 -20.473 -3.238 -3.656 1.00 0.00 N ATOM 0 H LYS A 8 -16.189 -3.531 -1.636 1.00 0.00 H new ATOM 0 HA LYS A 8 -17.014 -0.956 -0.595 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -17.128 -3.843 0.296 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -17.505 -2.548 1.415 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -19.545 -3.453 0.396 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -19.326 -1.768 -0.033 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -18.350 -2.471 -2.225 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -18.624 -4.148 -1.796 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -21.040 -3.785 -1.691 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -20.833 -2.062 -1.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -21.319 -2.769 -4.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -19.623 -2.830 -4.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -20.517 -4.255 -3.867 1.00 0.00 H new ATOM 126 N PRO A 9 -15.358 -0.528 1.300 1.00 0.00 N ATOM 127 CA PRO A 9 -14.253 -0.132 2.175 1.00 0.00 C ATOM 128 C PRO A 9 -13.921 -1.200 3.193 1.00 0.00 C ATOM 129 O PRO A 9 -14.805 -1.710 3.886 1.00 0.00 O ATOM 130 CB PRO A 9 -14.763 1.100 2.911 1.00 0.00 C ATOM 131 CG PRO A 9 -15.956 1.571 2.147 1.00 0.00 C ATOM 132 CD PRO A 9 -16.511 0.376 1.424 1.00 0.00 C ATOM 0 HA PRO A 9 -13.348 0.043 1.594 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -15.029 0.858 3.940 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -13.997 1.874 2.954 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -16.702 1.996 2.819 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -15.678 2.354 1.442 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -17.324 -0.087 1.983 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -16.911 0.650 0.448 1.00 0.00 H new ATOM 140 N MET A 10 -12.648 -1.526 3.293 1.00 0.00 N ATOM 141 CA MET A 10 -12.201 -2.465 4.296 1.00 0.00 C ATOM 142 C MET A 10 -12.195 -1.793 5.663 1.00 0.00 C ATOM 143 O MET A 10 -12.202 -0.563 5.765 1.00 0.00 O ATOM 144 CB MET A 10 -10.816 -3.015 3.953 1.00 0.00 C ATOM 145 CG MET A 10 -9.729 -1.964 3.920 1.00 0.00 C ATOM 146 SD MET A 10 -8.113 -2.649 3.518 1.00 0.00 S ATOM 147 CE MET A 10 -8.463 -3.475 1.969 1.00 0.00 C ATOM 0 H MET A 10 -11.910 -1.156 2.694 1.00 0.00 H new ATOM 0 HA MET A 10 -12.892 -3.307 4.320 1.00 0.00 H new ATOM 0 HB2 MET A 10 -10.548 -3.778 4.684 1.00 0.00 H new ATOM 0 HB3 MET A 10 -10.862 -3.507 2.981 1.00 0.00 H new ATOM 0 HG2 MET A 10 -9.989 -1.201 3.186 1.00 0.00 H new ATOM 0 HG3 MET A 10 -9.678 -1.469 4.890 1.00 0.00 H new ATOM 0 HE1 MET A 10 -7.528 -3.683 1.448 1.00 0.00 H new ATOM 0 HE2 MET A 10 -8.985 -4.411 2.166 1.00 0.00 H new ATOM 0 HE3 MET A 10 -9.089 -2.834 1.348 1.00 0.00 H new ATOM 157 N SER A 11 -12.185 -2.609 6.694 1.00 0.00 N ATOM 158 CA SER A 11 -12.311 -2.144 8.071 1.00 0.00 C ATOM 159 C SER A 11 -11.091 -1.346 8.529 1.00 0.00 C ATOM 160 O SER A 11 -10.055 -1.343 7.862 1.00 0.00 O ATOM 161 CB SER A 11 -12.514 -3.342 8.996 1.00 0.00 C ATOM 162 OG SER A 11 -11.446 -4.266 8.868 1.00 0.00 O ATOM 0 H SER A 11 -12.089 -3.621 6.607 1.00 0.00 H new ATOM 0 HA SER A 11 -13.173 -1.478 8.115 1.00 0.00 H new ATOM 0 HB2 SER A 11 -12.584 -3.001 10.029 1.00 0.00 H new ATOM 0 HB3 SER A 11 -13.457 -3.835 8.758 1.00 0.00 H new ATOM 0 HG SER A 11 -11.596 -5.024 9.470 1.00 0.00 H new ATOM 168 N TYR A 12 -11.216 -0.687 9.677 1.00 0.00 N ATOM 169 CA TYR A 12 -10.100 0.044 10.271 1.00 0.00 C ATOM 170 C TYR A 12 -8.959 -0.924 10.585 1.00 0.00 C ATOM 171 O TYR A 12 -7.791 -0.625 10.328 1.00 0.00 O ATOM 172 CB TYR A 12 -10.566 0.783 11.537 1.00 0.00 C ATOM 173 CG TYR A 12 -9.512 1.668 12.172 1.00 0.00 C ATOM 174 CD1 TYR A 12 -8.449 1.117 12.869 1.00 0.00 C ATOM 175 CD2 TYR A 12 -9.591 3.053 12.086 1.00 0.00 C ATOM 176 CE1 TYR A 12 -7.492 1.914 13.461 1.00 0.00 C ATOM 177 CE2 TYR A 12 -8.636 3.858 12.675 1.00 0.00 C ATOM 178 CZ TYR A 12 -7.588 3.283 13.361 1.00 0.00 C ATOM 179 OH TYR A 12 -6.633 4.082 13.952 1.00 0.00 O ATOM 0 H TYR A 12 -12.081 -0.644 10.216 1.00 0.00 H new ATOM 0 HA TYR A 12 -9.735 0.788 9.563 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -11.433 1.394 11.287 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -10.895 0.048 12.271 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -8.368 0.043 12.950 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -10.412 3.507 11.550 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -6.671 1.466 14.001 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -8.710 4.933 12.598 1.00 0.00 H new ATOM 0 HH TYR A 12 -6.847 5.024 13.787 1.00 0.00 H new ATOM 189 N GLU A 13 -9.316 -2.095 11.111 1.00 0.00 N ATOM 190 CA GLU A 13 -8.338 -3.129 11.434 1.00 0.00 C ATOM 191 C GLU A 13 -7.543 -3.522 10.188 1.00 0.00 C ATOM 192 O GLU A 13 -6.313 -3.615 10.219 1.00 0.00 O ATOM 193 CB GLU A 13 -9.042 -4.363 12.009 1.00 0.00 C ATOM 194 CG GLU A 13 -8.085 -5.436 12.495 1.00 0.00 C ATOM 195 CD GLU A 13 -8.804 -6.624 13.092 1.00 0.00 C ATOM 196 OE1 GLU A 13 -9.290 -7.481 12.323 1.00 0.00 O ATOM 197 OE2 GLU A 13 -8.897 -6.703 14.337 1.00 0.00 O ATOM 0 H GLU A 13 -10.281 -2.351 11.323 1.00 0.00 H new ATOM 0 HA GLU A 13 -7.650 -2.730 12.180 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -9.680 -4.054 12.837 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -9.694 -4.788 11.246 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -7.466 -5.771 11.663 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -7.414 -5.009 13.240 1.00 0.00 H new ATOM 204 N GLU A 14 -8.261 -3.723 9.091 1.00 0.00 N ATOM 205 CA GLU A 14 -7.662 -4.163 7.847 1.00 0.00 C ATOM 206 C GLU A 14 -6.871 -3.031 7.181 1.00 0.00 C ATOM 207 O GLU A 14 -5.805 -3.276 6.619 1.00 0.00 O ATOM 208 CB GLU A 14 -8.757 -4.720 6.942 1.00 0.00 C ATOM 209 CG GLU A 14 -8.235 -5.384 5.689 1.00 0.00 C ATOM 210 CD GLU A 14 -9.251 -6.297 5.027 1.00 0.00 C ATOM 211 OE1 GLU A 14 -10.461 -5.999 5.080 1.00 0.00 O ATOM 212 OE2 GLU A 14 -8.846 -7.343 4.473 1.00 0.00 O ATOM 0 H GLU A 14 -9.270 -3.585 9.043 1.00 0.00 H new ATOM 0 HA GLU A 14 -6.941 -4.956 8.045 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -9.348 -5.442 7.505 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -9.429 -3.909 6.659 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -7.930 -4.616 4.979 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -7.344 -5.961 5.936 1.00 0.00 H new ATOM 219 N LYS A 15 -7.371 -1.796 7.264 1.00 0.00 N ATOM 220 CA LYS A 15 -6.616 -0.636 6.788 1.00 0.00 C ATOM 221 C LYS A 15 -5.289 -0.503 7.532 1.00 0.00 C ATOM 222 O LYS A 15 -4.238 -0.297 6.925 1.00 0.00 O ATOM 223 CB LYS A 15 -7.427 0.648 6.968 1.00 0.00 C ATOM 224 CG LYS A 15 -8.547 0.807 5.965 1.00 0.00 C ATOM 225 CD LYS A 15 -9.477 1.943 6.358 1.00 0.00 C ATOM 226 CE LYS A 15 -9.861 2.792 5.160 1.00 0.00 C ATOM 227 NZ LYS A 15 -10.761 3.909 5.544 1.00 0.00 N ATOM 0 H LYS A 15 -8.288 -1.575 7.653 1.00 0.00 H new ATOM 0 HA LYS A 15 -6.414 -0.789 5.728 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -7.847 0.663 7.974 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -6.757 1.504 6.889 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -8.130 1.000 4.977 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -9.112 -0.122 5.896 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -10.377 1.534 6.818 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -8.992 2.569 7.107 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -8.961 3.194 4.695 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -10.353 2.168 4.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -10.721 4.653 4.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -11.736 3.557 5.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -10.457 4.301 6.458 1.00 0.00 H new ATOM 241 N ARG A 16 -5.353 -0.620 8.854 1.00 0.00 N ATOM 242 CA ARG A 16 -4.164 -0.540 9.694 1.00 0.00 C ATOM 243 C ARG A 16 -3.171 -1.633 9.320 1.00 0.00 C ATOM 244 O ARG A 16 -1.977 -1.375 9.168 1.00 0.00 O ATOM 245 CB ARG A 16 -4.534 -0.682 11.172 1.00 0.00 C ATOM 246 CG ARG A 16 -3.349 -0.505 12.110 1.00 0.00 C ATOM 247 CD ARG A 16 -3.435 -1.454 13.295 1.00 0.00 C ATOM 248 NE ARG A 16 -3.305 -2.855 12.880 1.00 0.00 N ATOM 249 CZ ARG A 16 -4.072 -3.848 13.336 1.00 0.00 C ATOM 250 NH1 ARG A 16 -5.054 -3.597 14.194 1.00 0.00 N ATOM 251 NH2 ARG A 16 -3.858 -5.094 12.925 1.00 0.00 N ATOM 0 H ARG A 16 -6.220 -0.771 9.369 1.00 0.00 H new ATOM 0 HA ARG A 16 -3.707 0.436 9.531 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -5.298 0.055 11.420 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -4.974 -1.665 11.336 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -2.422 -0.683 11.565 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -3.316 0.524 12.467 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -2.650 -1.213 14.012 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -4.388 -1.313 13.806 1.00 0.00 H new ATOM 0 HE ARG A 16 -2.582 -3.085 12.199 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -5.225 -2.642 14.508 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -5.637 -4.359 14.539 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -3.108 -5.291 12.262 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -4.443 -5.853 13.273 1.00 0.00 H new ATOM 265 N GLN A 17 -3.670 -2.855 9.175 1.00 0.00 N ATOM 266 CA GLN A 17 -2.821 -3.981 8.846 1.00 0.00 C ATOM 267 C GLN A 17 -2.242 -3.822 7.452 1.00 0.00 C ATOM 268 O GLN A 17 -1.107 -4.200 7.203 1.00 0.00 O ATOM 269 CB GLN A 17 -3.588 -5.296 8.952 1.00 0.00 C ATOM 270 CG GLN A 17 -2.687 -6.506 8.811 1.00 0.00 C ATOM 271 CD GLN A 17 -1.655 -6.582 9.918 1.00 0.00 C ATOM 272 OE1 GLN A 17 -1.923 -6.195 11.059 1.00 0.00 O ATOM 273 NE2 GLN A 17 -0.462 -7.043 9.588 1.00 0.00 N ATOM 0 H GLN A 17 -4.658 -3.086 9.281 1.00 0.00 H new ATOM 0 HA GLN A 17 -2.002 -4.005 9.565 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -4.100 -5.338 9.914 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -4.357 -5.328 8.180 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -3.294 -7.412 8.819 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -2.181 -6.470 7.846 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -0.281 -7.353 8.633 1.00 0.00 H new ATOM 0 HE22 GLN A 17 0.279 -7.089 10.288 1.00 0.00 H new ATOM 282 N LEU A 18 -3.022 -3.241 6.561 1.00 0.00 N ATOM 283 CA LEU A 18 -2.571 -2.967 5.201 1.00 0.00 C ATOM 284 C LEU A 18 -1.312 -2.103 5.246 1.00 0.00 C ATOM 285 O LEU A 18 -0.328 -2.372 4.555 1.00 0.00 O ATOM 286 CB LEU A 18 -3.684 -2.257 4.425 1.00 0.00 C ATOM 287 CG LEU A 18 -3.794 -2.605 2.938 1.00 0.00 C ATOM 288 CD1 LEU A 18 -5.046 -1.989 2.341 1.00 0.00 C ATOM 289 CD2 LEU A 18 -2.577 -2.139 2.166 1.00 0.00 C ATOM 0 H LEU A 18 -3.979 -2.946 6.752 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.335 -3.903 4.695 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -4.636 -2.487 4.903 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.533 -1.181 4.516 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.852 -3.691 2.859 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -5.109 -2.246 1.284 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -5.924 -2.373 2.861 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -5.005 -0.905 2.449 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.690 -2.403 1.115 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.479 -1.058 2.260 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.685 -2.621 2.567 1.00 0.00 H new ATOM 301 N SER A 19 -1.351 -1.082 6.094 1.00 0.00 N ATOM 302 CA SER A 19 -0.208 -0.206 6.307 1.00 0.00 C ATOM 303 C SER A 19 0.987 -0.999 6.839 1.00 0.00 C ATOM 304 O SER A 19 2.127 -0.805 6.411 1.00 0.00 O ATOM 305 CB SER A 19 -0.594 0.908 7.290 1.00 0.00 C ATOM 306 OG SER A 19 0.510 1.737 7.600 1.00 0.00 O ATOM 0 H SER A 19 -2.171 -0.840 6.650 1.00 0.00 H new ATOM 0 HA SER A 19 0.081 0.240 5.355 1.00 0.00 H new ATOM 0 HB2 SER A 19 -1.393 1.512 6.860 1.00 0.00 H new ATOM 0 HB3 SER A 19 -0.986 0.466 8.206 1.00 0.00 H new ATOM 0 HG SER A 19 0.228 2.436 8.227 1.00 0.00 H new ATOM 312 N LEU A 20 0.707 -1.910 7.761 1.00 0.00 N ATOM 313 CA LEU A 20 1.737 -2.731 8.380 1.00 0.00 C ATOM 314 C LEU A 20 2.287 -3.770 7.407 1.00 0.00 C ATOM 315 O LEU A 20 3.467 -4.121 7.457 1.00 0.00 O ATOM 316 CB LEU A 20 1.164 -3.425 9.611 1.00 0.00 C ATOM 317 CG LEU A 20 0.937 -2.524 10.817 1.00 0.00 C ATOM 318 CD1 LEU A 20 0.164 -3.285 11.872 1.00 0.00 C ATOM 319 CD2 LEU A 20 2.271 -2.051 11.378 1.00 0.00 C ATOM 0 H LEU A 20 -0.236 -2.100 8.099 1.00 0.00 H new ATOM 0 HA LEU A 20 2.561 -2.079 8.671 1.00 0.00 H new ATOM 0 HB2 LEU A 20 0.215 -3.887 9.339 1.00 0.00 H new ATOM 0 HB3 LEU A 20 1.839 -4.230 9.901 1.00 0.00 H new ATOM 0 HG LEU A 20 0.363 -1.649 10.512 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.000 -2.642 12.737 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.797 -3.597 11.464 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.732 -4.164 12.176 1.00 0.00 H new ATOM 0 HD21 LEU A 20 2.096 -1.407 12.240 1.00 0.00 H new ATOM 0 HD22 LEU A 20 2.864 -2.913 11.684 1.00 0.00 H new ATOM 0 HD23 LEU A 20 2.810 -1.493 10.613 1.00 0.00 H new ATOM 331 N ASP A 21 1.429 -4.248 6.523 1.00 0.00 N ATOM 332 CA ASP A 21 1.789 -5.301 5.588 1.00 0.00 C ATOM 333 C ASP A 21 2.625 -4.762 4.429 1.00 0.00 C ATOM 334 O ASP A 21 3.495 -5.457 3.909 1.00 0.00 O ATOM 335 CB ASP A 21 0.541 -6.013 5.086 1.00 0.00 C ATOM 336 CG ASP A 21 -0.037 -6.988 6.102 1.00 0.00 C ATOM 337 OD1 ASP A 21 0.680 -7.374 7.050 1.00 0.00 O ATOM 338 OD2 ASP A 21 -1.215 -7.378 5.953 1.00 0.00 O ATOM 0 H ASP A 21 0.468 -3.920 6.433 1.00 0.00 H new ATOM 0 HA ASP A 21 2.408 -6.026 6.118 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -0.216 -5.271 4.831 1.00 0.00 H new ATOM 0 HB3 ASP A 21 0.781 -6.552 4.169 1.00 0.00 H new ATOM 343 N ILE A 22 2.379 -3.515 4.036 1.00 0.00 N ATOM 344 CA ILE A 22 3.216 -2.863 3.026 1.00 0.00 C ATOM 345 C ILE A 22 4.598 -2.595 3.597 1.00 0.00 C ATOM 346 O ILE A 22 5.608 -2.691 2.903 1.00 0.00 O ATOM 347 CB ILE A 22 2.595 -1.541 2.529 1.00 0.00 C ATOM 348 CG1 ILE A 22 1.293 -1.824 1.784 1.00 0.00 C ATOM 349 CG2 ILE A 22 3.555 -0.788 1.621 1.00 0.00 C ATOM 350 CD1 ILE A 22 0.425 -0.611 1.636 1.00 0.00 C ATOM 0 H ILE A 22 1.617 -2.939 4.395 1.00 0.00 H new ATOM 0 HA ILE A 22 3.290 -3.538 2.173 1.00 0.00 H new ATOM 0 HB ILE A 22 2.389 -0.917 3.399 1.00 0.00 H new ATOM 0 HG12 ILE A 22 1.526 -2.220 0.795 1.00 0.00 H new ATOM 0 HG13 ILE A 22 0.738 -2.598 2.315 1.00 0.00 H new ATOM 0 HG21 ILE A 22 3.089 0.139 1.287 1.00 0.00 H new ATOM 0 HG22 ILE A 22 4.469 -0.558 2.169 1.00 0.00 H new ATOM 0 HG23 ILE A 22 3.797 -1.405 0.755 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -0.485 -0.878 1.098 1.00 0.00 H new ATOM 0 HD12 ILE A 22 0.164 -0.228 2.622 1.00 0.00 H new ATOM 0 HD13 ILE A 22 0.964 0.156 1.080 1.00 0.00 H new ATOM 362 N ASN A 23 4.621 -2.288 4.884 1.00 0.00 N ATOM 363 CA ASN A 23 5.857 -2.067 5.613 1.00 0.00 C ATOM 364 C ASN A 23 6.720 -3.336 5.621 1.00 0.00 C ATOM 365 O ASN A 23 7.941 -3.270 5.756 1.00 0.00 O ATOM 366 CB ASN A 23 5.521 -1.616 7.043 1.00 0.00 C ATOM 367 CG ASN A 23 6.692 -1.716 8.003 1.00 0.00 C ATOM 368 OD1 ASN A 23 6.888 -2.743 8.659 1.00 0.00 O ATOM 369 ND2 ASN A 23 7.467 -0.650 8.106 1.00 0.00 N ATOM 0 H ASN A 23 3.781 -2.185 5.453 1.00 0.00 H new ATOM 0 HA ASN A 23 6.435 -1.286 5.119 1.00 0.00 H new ATOM 0 HB2 ASN A 23 5.171 -0.584 7.017 1.00 0.00 H new ATOM 0 HB3 ASN A 23 4.698 -2.222 7.422 1.00 0.00 H new ATOM 0 HD21 ASN A 23 8.261 -0.657 8.746 1.00 0.00 H new ATOM 0 HD22 ASN A 23 7.271 0.179 7.546 1.00 0.00 H new ATOM 376 N LYS A 24 6.073 -4.490 5.449 1.00 0.00 N ATOM 377 CA LYS A 24 6.762 -5.781 5.447 1.00 0.00 C ATOM 378 C LYS A 24 7.488 -6.038 4.125 1.00 0.00 C ATOM 379 O LYS A 24 8.510 -6.730 4.091 1.00 0.00 O ATOM 380 CB LYS A 24 5.758 -6.908 5.686 1.00 0.00 C ATOM 381 CG LYS A 24 5.211 -6.964 7.101 1.00 0.00 C ATOM 382 CD LYS A 24 4.158 -8.052 7.244 1.00 0.00 C ATOM 383 CE LYS A 24 3.537 -8.056 8.631 1.00 0.00 C ATOM 384 NZ LYS A 24 4.541 -8.344 9.688 1.00 0.00 N ATOM 0 H LYS A 24 5.065 -4.556 5.308 1.00 0.00 H new ATOM 0 HA LYS A 24 7.502 -5.755 6.247 1.00 0.00 H new ATOM 0 HB2 LYS A 24 4.926 -6.792 4.991 1.00 0.00 H new ATOM 0 HB3 LYS A 24 6.236 -7.860 5.455 1.00 0.00 H new ATOM 0 HG2 LYS A 24 6.026 -7.149 7.801 1.00 0.00 H new ATOM 0 HG3 LYS A 24 4.778 -5.999 7.364 1.00 0.00 H new ATOM 0 HD2 LYS A 24 3.378 -7.904 6.497 1.00 0.00 H new ATOM 0 HD3 LYS A 24 4.610 -9.024 7.045 1.00 0.00 H new ATOM 0 HE2 LYS A 24 3.074 -7.088 8.824 1.00 0.00 H new ATOM 0 HE3 LYS A 24 2.744 -8.802 8.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 4.058 -8.472 10.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 5.060 -9.212 9.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 5.209 -7.550 9.758 1.00 0.00 H new ATOM 398 N LEU A 25 6.941 -5.491 3.046 1.00 0.00 N ATOM 399 CA LEU A 25 7.475 -5.706 1.704 1.00 0.00 C ATOM 400 C LEU A 25 8.925 -5.244 1.592 1.00 0.00 C ATOM 401 O LEU A 25 9.283 -4.176 2.092 1.00 0.00 O ATOM 402 CB LEU A 25 6.628 -4.942 0.689 1.00 0.00 C ATOM 403 CG LEU A 25 5.170 -5.365 0.592 1.00 0.00 C ATOM 404 CD1 LEU A 25 4.545 -4.746 -0.636 1.00 0.00 C ATOM 405 CD2 LEU A 25 5.048 -6.870 0.548 1.00 0.00 C ATOM 0 H LEU A 25 6.119 -4.888 3.075 1.00 0.00 H new ATOM 0 HA LEU A 25 7.441 -6.776 1.500 1.00 0.00 H new ATOM 0 HB2 LEU A 25 6.663 -3.882 0.939 1.00 0.00 H new ATOM 0 HB3 LEU A 25 7.085 -5.053 -0.294 1.00 0.00 H new ATOM 0 HG LEU A 25 4.642 -5.014 1.478 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.500 -5.050 -0.705 1.00 0.00 H new ATOM 0 HD12 LEU A 25 4.603 -3.660 -0.566 1.00 0.00 H new ATOM 0 HD13 LEU A 25 5.080 -5.081 -1.525 1.00 0.00 H new ATOM 0 HD21 LEU A 25 3.996 -7.148 0.479 1.00 0.00 H new ATOM 0 HD22 LEU A 25 5.583 -7.253 -0.321 1.00 0.00 H new ATOM 0 HD23 LEU A 25 5.477 -7.296 1.455 1.00 0.00 H new ATOM 417 N PRO A 26 9.794 -6.061 0.964 1.00 0.00 N ATOM 418 CA PRO A 26 11.155 -5.637 0.621 1.00 0.00 C ATOM 419 C PRO A 26 11.133 -4.446 -0.335 1.00 0.00 C ATOM 420 O PRO A 26 10.205 -4.324 -1.134 1.00 0.00 O ATOM 421 CB PRO A 26 11.761 -6.868 -0.063 1.00 0.00 C ATOM 422 CG PRO A 26 10.931 -8.015 0.401 1.00 0.00 C ATOM 423 CD PRO A 26 9.544 -7.467 0.580 1.00 0.00 C ATOM 0 HA PRO A 26 11.724 -5.312 1.492 1.00 0.00 H new ATOM 0 HB2 PRO A 26 11.730 -6.772 -1.148 1.00 0.00 H new ATOM 0 HB3 PRO A 26 12.807 -6.999 0.215 1.00 0.00 H new ATOM 0 HG2 PRO A 26 10.941 -8.825 -0.328 1.00 0.00 H new ATOM 0 HG3 PRO A 26 11.315 -8.423 1.336 1.00 0.00 H new ATOM 0 HD2 PRO A 26 8.960 -7.538 -0.337 1.00 0.00 H new ATOM 0 HD3 PRO A 26 8.993 -8.005 1.351 1.00 0.00 H new ATOM 431 N GLY A 27 12.144 -3.581 -0.241 1.00 0.00 N ATOM 432 CA GLY A 27 12.155 -2.313 -0.972 1.00 0.00 C ATOM 433 C GLY A 27 11.715 -2.409 -2.428 1.00 0.00 C ATOM 434 O GLY A 27 10.986 -1.538 -2.910 1.00 0.00 O ATOM 0 H GLY A 27 12.970 -3.737 0.337 1.00 0.00 H new ATOM 0 HA2 GLY A 27 11.504 -1.607 -0.456 1.00 0.00 H new ATOM 0 HA3 GLY A 27 13.163 -1.900 -0.939 1.00 0.00 H new ATOM 438 N GLU A 28 12.156 -3.453 -3.126 1.00 0.00 N ATOM 439 CA GLU A 28 11.782 -3.660 -4.525 1.00 0.00 C ATOM 440 C GLU A 28 10.265 -3.764 -4.666 1.00 0.00 C ATOM 441 O GLU A 28 9.637 -2.985 -5.386 1.00 0.00 O ATOM 442 CB GLU A 28 12.440 -4.939 -5.068 1.00 0.00 C ATOM 443 CG GLU A 28 12.065 -5.273 -6.499 1.00 0.00 C ATOM 444 CD GLU A 28 11.973 -6.763 -6.749 1.00 0.00 C ATOM 445 OE1 GLU A 28 10.909 -7.350 -6.479 1.00 0.00 O ATOM 446 OE2 GLU A 28 12.963 -7.352 -7.234 1.00 0.00 O ATOM 0 H GLU A 28 12.774 -4.170 -2.746 1.00 0.00 H new ATOM 0 HA GLU A 28 12.132 -2.804 -5.102 1.00 0.00 H new ATOM 0 HB2 GLU A 28 13.523 -4.832 -5.004 1.00 0.00 H new ATOM 0 HB3 GLU A 28 12.164 -5.776 -4.427 1.00 0.00 H new ATOM 0 HG2 GLU A 28 11.107 -4.810 -6.736 1.00 0.00 H new ATOM 0 HG3 GLU A 28 12.804 -4.841 -7.174 1.00 0.00 H new ATOM 453 N LYS A 29 9.694 -4.728 -3.962 1.00 0.00 N ATOM 454 CA LYS A 29 8.256 -4.958 -3.961 1.00 0.00 C ATOM 455 C LYS A 29 7.511 -3.741 -3.428 1.00 0.00 C ATOM 456 O LYS A 29 6.433 -3.388 -3.905 1.00 0.00 O ATOM 457 CB LYS A 29 7.954 -6.181 -3.098 1.00 0.00 C ATOM 458 CG LYS A 29 8.346 -7.507 -3.738 1.00 0.00 C ATOM 459 CD LYS A 29 7.480 -7.817 -4.951 1.00 0.00 C ATOM 460 CE LYS A 29 7.669 -9.242 -5.449 1.00 0.00 C ATOM 461 NZ LYS A 29 7.206 -10.241 -4.455 1.00 0.00 N ATOM 0 H LYS A 29 10.216 -5.376 -3.372 1.00 0.00 H new ATOM 0 HA LYS A 29 7.920 -5.132 -4.983 1.00 0.00 H new ATOM 0 HB2 LYS A 29 8.478 -6.080 -2.148 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.887 -6.199 -2.874 1.00 0.00 H new ATOM 0 HG2 LYS A 29 9.394 -7.473 -4.037 1.00 0.00 H new ATOM 0 HG3 LYS A 29 8.249 -8.309 -3.006 1.00 0.00 H new ATOM 0 HD2 LYS A 29 6.432 -7.660 -4.696 1.00 0.00 H new ATOM 0 HD3 LYS A 29 7.720 -7.120 -5.753 1.00 0.00 H new ATOM 0 HE2 LYS A 29 7.121 -9.376 -6.381 1.00 0.00 H new ATOM 0 HE3 LYS A 29 8.722 -9.412 -5.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 8.001 -10.854 -4.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 6.843 -9.750 -3.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 6.449 -10.820 -4.871 1.00 0.00 H new ATOM 475 N LEU A 30 8.112 -3.105 -2.444 1.00 0.00 N ATOM 476 CA LEU A 30 7.552 -1.919 -1.819 1.00 0.00 C ATOM 477 C LEU A 30 7.334 -0.803 -2.836 1.00 0.00 C ATOM 478 O LEU A 30 6.300 -0.136 -2.802 1.00 0.00 O ATOM 479 CB LEU A 30 8.488 -1.465 -0.695 1.00 0.00 C ATOM 480 CG LEU A 30 8.063 -0.221 0.067 1.00 0.00 C ATOM 481 CD1 LEU A 30 6.565 -0.232 0.341 1.00 0.00 C ATOM 482 CD2 LEU A 30 8.849 -0.139 1.368 1.00 0.00 C ATOM 0 H LEU A 30 9.007 -3.396 -2.051 1.00 0.00 H new ATOM 0 HA LEU A 30 6.574 -2.161 -1.403 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.592 -2.284 0.016 1.00 0.00 H new ATOM 0 HB3 LEU A 30 9.475 -1.286 -1.122 1.00 0.00 H new ATOM 0 HG LEU A 30 8.277 0.659 -0.540 1.00 0.00 H new ATOM 0 HD11 LEU A 30 6.288 0.670 0.887 1.00 0.00 H new ATOM 0 HD12 LEU A 30 6.023 -0.264 -0.604 1.00 0.00 H new ATOM 0 HD13 LEU A 30 6.310 -1.109 0.936 1.00 0.00 H new ATOM 0 HD21 LEU A 30 8.548 0.752 1.919 1.00 0.00 H new ATOM 0 HD22 LEU A 30 8.648 -1.024 1.971 1.00 0.00 H new ATOM 0 HD23 LEU A 30 9.915 -0.086 1.146 1.00 0.00 H new ATOM 494 N GLY A 31 8.284 -0.626 -3.754 1.00 0.00 N ATOM 495 CA GLY A 31 8.179 0.429 -4.756 1.00 0.00 C ATOM 496 C GLY A 31 6.898 0.349 -5.572 1.00 0.00 C ATOM 497 O GLY A 31 6.429 1.358 -6.099 1.00 0.00 O ATOM 0 H GLY A 31 9.127 -1.195 -3.823 1.00 0.00 H new ATOM 0 HA2 GLY A 31 8.228 1.399 -4.261 1.00 0.00 H new ATOM 0 HA3 GLY A 31 9.035 0.371 -5.428 1.00 0.00 H new ATOM 501 N ARG A 32 6.324 -0.847 -5.661 1.00 0.00 N ATOM 502 CA ARG A 32 5.066 -1.043 -6.370 1.00 0.00 C ATOM 503 C ARG A 32 3.938 -0.299 -5.671 1.00 0.00 C ATOM 504 O ARG A 32 3.211 0.465 -6.296 1.00 0.00 O ATOM 505 CB ARG A 32 4.713 -2.530 -6.434 1.00 0.00 C ATOM 506 CG ARG A 32 3.429 -2.832 -7.203 1.00 0.00 C ATOM 507 CD ARG A 32 3.584 -2.506 -8.682 1.00 0.00 C ATOM 508 NE ARG A 32 4.715 -3.214 -9.280 1.00 0.00 N ATOM 509 CZ ARG A 32 5.060 -3.120 -10.561 1.00 0.00 C ATOM 510 NH1 ARG A 32 4.337 -2.386 -11.397 1.00 0.00 N ATOM 511 NH2 ARG A 32 6.131 -3.764 -11.006 1.00 0.00 N ATOM 0 H ARG A 32 6.712 -1.696 -5.250 1.00 0.00 H new ATOM 0 HA ARG A 32 5.188 -0.653 -7.381 1.00 0.00 H new ATOM 0 HB2 ARG A 32 5.538 -3.069 -6.900 1.00 0.00 H new ATOM 0 HB3 ARG A 32 4.615 -2.913 -5.418 1.00 0.00 H new ATOM 0 HG2 ARG A 32 3.170 -3.884 -7.085 1.00 0.00 H new ATOM 0 HG3 ARG A 32 2.606 -2.252 -6.784 1.00 0.00 H new ATOM 0 HD2 ARG A 32 2.669 -2.772 -9.210 1.00 0.00 H new ATOM 0 HD3 ARG A 32 3.722 -1.432 -8.805 1.00 0.00 H new ATOM 0 HE ARG A 32 5.274 -3.818 -8.677 1.00 0.00 H new ATOM 0 HH11 ARG A 32 3.512 -1.891 -11.058 1.00 0.00 H new ATOM 0 HH12 ARG A 32 4.606 -2.317 -12.379 1.00 0.00 H new ATOM 0 HH21 ARG A 32 6.688 -4.330 -10.366 1.00 0.00 H new ATOM 0 HH22 ARG A 32 6.397 -3.693 -11.988 1.00 0.00 H new ATOM 525 N VAL A 33 3.818 -0.516 -4.368 1.00 0.00 N ATOM 526 CA VAL A 33 2.701 0.021 -3.593 1.00 0.00 C ATOM 527 C VAL A 33 2.751 1.534 -3.539 1.00 0.00 C ATOM 528 O VAL A 33 1.745 2.193 -3.788 1.00 0.00 O ATOM 529 CB VAL A 33 2.667 -0.535 -2.159 1.00 0.00 C ATOM 530 CG1 VAL A 33 1.234 -0.768 -1.733 1.00 0.00 C ATOM 531 CG2 VAL A 33 3.472 -1.817 -2.042 1.00 0.00 C ATOM 0 H VAL A 33 4.483 -1.063 -3.821 1.00 0.00 H new ATOM 0 HA VAL A 33 1.793 -0.295 -4.106 1.00 0.00 H new ATOM 0 HB VAL A 33 3.123 0.201 -1.497 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.216 -1.162 -0.717 1.00 0.00 H new ATOM 0 HG12 VAL A 33 0.687 0.174 -1.767 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.766 -1.484 -2.408 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.427 -2.183 -1.016 1.00 0.00 H new ATOM 0 HG22 VAL A 33 3.058 -2.569 -2.714 1.00 0.00 H new ATOM 0 HG23 VAL A 33 4.510 -1.621 -2.312 1.00 0.00 H new ATOM 541 N VAL A 34 3.925 2.081 -3.232 1.00 0.00 N ATOM 542 CA VAL A 34 4.115 3.536 -3.244 1.00 0.00 C ATOM 543 C VAL A 34 3.634 4.106 -4.576 1.00 0.00 C ATOM 544 O VAL A 34 2.994 5.156 -4.627 1.00 0.00 O ATOM 545 CB VAL A 34 5.601 3.937 -2.986 1.00 0.00 C ATOM 546 CG1 VAL A 34 6.482 2.721 -2.989 1.00 0.00 C ATOM 547 CG2 VAL A 34 6.123 4.950 -3.999 1.00 0.00 C ATOM 0 H VAL A 34 4.755 1.547 -2.973 1.00 0.00 H new ATOM 0 HA VAL A 34 3.524 3.956 -2.430 1.00 0.00 H new ATOM 0 HB VAL A 34 5.628 4.412 -2.005 1.00 0.00 H new ATOM 0 HG11 VAL A 34 7.515 3.019 -2.808 1.00 0.00 H new ATOM 0 HG12 VAL A 34 6.159 2.036 -2.205 1.00 0.00 H new ATOM 0 HG13 VAL A 34 6.413 2.224 -3.957 1.00 0.00 H new ATOM 0 HG21 VAL A 34 7.161 5.192 -3.770 1.00 0.00 H new ATOM 0 HG22 VAL A 34 6.062 4.527 -5.002 1.00 0.00 H new ATOM 0 HG23 VAL A 34 5.520 5.857 -3.950 1.00 0.00 H new ATOM 557 N HIS A 35 3.928 3.375 -5.641 1.00 0.00 N ATOM 558 CA HIS A 35 3.488 3.745 -6.980 1.00 0.00 C ATOM 559 C HIS A 35 1.970 3.602 -7.118 1.00 0.00 C ATOM 560 O HIS A 35 1.315 4.470 -7.691 1.00 0.00 O ATOM 561 CB HIS A 35 4.200 2.885 -8.028 1.00 0.00 C ATOM 562 CG HIS A 35 3.799 3.188 -9.441 1.00 0.00 C ATOM 563 ND1 HIS A 35 4.246 4.294 -10.127 1.00 0.00 N ATOM 564 CD2 HIS A 35 2.982 2.524 -10.296 1.00 0.00 C ATOM 565 CE1 HIS A 35 3.722 4.302 -11.337 1.00 0.00 C ATOM 566 NE2 HIS A 35 2.952 3.240 -11.466 1.00 0.00 N ATOM 0 H HIS A 35 4.474 2.514 -5.604 1.00 0.00 H new ATOM 0 HA HIS A 35 3.746 4.791 -7.146 1.00 0.00 H new ATOM 0 HB2 HIS A 35 5.276 3.026 -7.928 1.00 0.00 H new ATOM 0 HB3 HIS A 35 3.996 1.835 -7.821 1.00 0.00 H new ATOM 0 HD2 HIS A 35 2.454 1.604 -10.094 1.00 0.00 H new ATOM 0 HE1 HIS A 35 3.895 5.052 -12.095 1.00 0.00 H new ATOM 0 HE2 HIS A 35 2.420 2.991 -12.300 1.00 0.00 H new ATOM 575 N ILE A 36 1.423 2.504 -6.599 1.00 0.00 N ATOM 576 CA ILE A 36 -0.013 2.244 -6.688 1.00 0.00 C ATOM 577 C ILE A 36 -0.821 3.380 -6.065 1.00 0.00 C ATOM 578 O ILE A 36 -1.708 3.938 -6.711 1.00 0.00 O ATOM 579 CB ILE A 36 -0.427 0.910 -6.018 1.00 0.00 C ATOM 580 CG1 ILE A 36 0.337 -0.272 -6.623 1.00 0.00 C ATOM 581 CG2 ILE A 36 -1.928 0.699 -6.169 1.00 0.00 C ATOM 582 CD1 ILE A 36 -0.139 -1.630 -6.142 1.00 0.00 C ATOM 0 H ILE A 36 1.952 1.780 -6.113 1.00 0.00 H new ATOM 0 HA ILE A 36 -0.233 2.172 -7.753 1.00 0.00 H new ATOM 0 HB ILE A 36 -0.176 0.966 -4.959 1.00 0.00 H new ATOM 0 HG12 ILE A 36 0.247 -0.231 -7.709 1.00 0.00 H new ATOM 0 HG13 ILE A 36 1.396 -0.166 -6.387 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -2.213 -0.241 -5.696 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -2.461 1.522 -5.692 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -2.186 0.665 -7.227 1.00 0.00 H new ATOM 0 HD11 ILE A 36 0.453 -2.412 -6.617 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -0.023 -1.694 -5.060 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -1.189 -1.761 -6.403 1.00 0.00 H new ATOM 594 N ILE A 37 -0.504 3.735 -4.822 1.00 0.00 N ATOM 595 CA ILE A 37 -1.254 4.775 -4.124 1.00 0.00 C ATOM 596 C ILE A 37 -1.140 6.113 -4.850 1.00 0.00 C ATOM 597 O ILE A 37 -2.143 6.764 -5.120 1.00 0.00 O ATOM 598 CB ILE A 37 -0.801 4.962 -2.660 1.00 0.00 C ATOM 599 CG1 ILE A 37 -0.966 3.671 -1.861 1.00 0.00 C ATOM 600 CG2 ILE A 37 -1.620 6.064 -2.019 1.00 0.00 C ATOM 601 CD1 ILE A 37 0.334 3.074 -1.387 1.00 0.00 C ATOM 0 H ILE A 37 0.258 3.323 -4.283 1.00 0.00 H new ATOM 0 HA ILE A 37 -2.291 4.440 -4.118 1.00 0.00 H new ATOM 0 HB ILE A 37 0.255 5.230 -2.658 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -1.600 3.869 -0.997 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -1.487 2.938 -2.477 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -1.303 6.199 -0.985 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -1.472 6.994 -2.568 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -2.676 5.793 -2.042 1.00 0.00 H new ATOM 0 HD11 ILE A 37 0.132 2.160 -0.828 1.00 0.00 H new ATOM 0 HD12 ILE A 37 0.963 2.842 -2.247 1.00 0.00 H new ATOM 0 HD13 ILE A 37 0.849 3.787 -0.743 1.00 0.00 H new ATOM 613 N GLN A 38 0.086 6.506 -5.170 1.00 0.00 N ATOM 614 CA GLN A 38 0.343 7.767 -5.871 1.00 0.00 C ATOM 615 C GLN A 38 -0.398 7.842 -7.205 1.00 0.00 C ATOM 616 O GLN A 38 -0.790 8.923 -7.649 1.00 0.00 O ATOM 617 CB GLN A 38 1.846 7.951 -6.109 1.00 0.00 C ATOM 618 CG GLN A 38 2.626 8.327 -4.852 1.00 0.00 C ATOM 619 CD GLN A 38 3.718 9.343 -5.130 1.00 0.00 C ATOM 620 OE1 GLN A 38 3.633 10.128 -6.074 1.00 0.00 O ATOM 621 NE2 GLN A 38 4.740 9.359 -4.289 1.00 0.00 N ATOM 0 H GLN A 38 0.926 5.969 -4.956 1.00 0.00 H new ATOM 0 HA GLN A 38 -0.028 8.569 -5.233 1.00 0.00 H new ATOM 0 HB2 GLN A 38 2.256 7.027 -6.517 1.00 0.00 H new ATOM 0 HB3 GLN A 38 1.993 8.725 -6.862 1.00 0.00 H new ATOM 0 HG2 GLN A 38 1.939 8.731 -4.109 1.00 0.00 H new ATOM 0 HG3 GLN A 38 3.070 7.429 -4.421 1.00 0.00 H new ATOM 0 HE21 GLN A 38 4.776 8.693 -3.518 1.00 0.00 H new ATOM 0 HE22 GLN A 38 5.491 10.038 -4.412 1.00 0.00 H new ATOM 630 N SER A 39 -0.580 6.698 -7.840 1.00 0.00 N ATOM 631 CA SER A 39 -1.266 6.642 -9.119 1.00 0.00 C ATOM 632 C SER A 39 -2.783 6.728 -8.939 1.00 0.00 C ATOM 633 O SER A 39 -3.457 7.466 -9.660 1.00 0.00 O ATOM 634 CB SER A 39 -0.884 5.357 -9.858 1.00 0.00 C ATOM 635 OG SER A 39 -1.445 5.317 -11.160 1.00 0.00 O ATOM 0 H SER A 39 -0.262 5.794 -7.491 1.00 0.00 H new ATOM 0 HA SER A 39 -0.955 7.501 -9.714 1.00 0.00 H new ATOM 0 HB2 SER A 39 0.201 5.285 -9.927 1.00 0.00 H new ATOM 0 HB3 SER A 39 -1.225 4.493 -9.287 1.00 0.00 H new ATOM 0 HG SER A 39 -1.180 4.485 -11.605 1.00 0.00 H new ATOM 641 N ARG A 40 -3.315 5.992 -7.971 1.00 0.00 N ATOM 642 CA ARG A 40 -4.760 5.937 -7.772 1.00 0.00 C ATOM 643 C ARG A 40 -5.260 7.158 -7.012 1.00 0.00 C ATOM 644 O ARG A 40 -6.384 7.617 -7.225 1.00 0.00 O ATOM 645 CB ARG A 40 -5.159 4.671 -7.022 1.00 0.00 C ATOM 646 CG ARG A 40 -4.628 3.392 -7.649 1.00 0.00 C ATOM 647 CD ARG A 40 -5.525 2.214 -7.350 1.00 0.00 C ATOM 648 NE ARG A 40 -6.869 2.383 -7.907 1.00 0.00 N ATOM 649 CZ ARG A 40 -7.646 1.376 -8.313 1.00 0.00 C ATOM 650 NH1 ARG A 40 -7.211 0.121 -8.246 1.00 0.00 N ATOM 651 NH2 ARG A 40 -8.857 1.632 -8.796 1.00 0.00 N ATOM 0 H ARG A 40 -2.774 5.429 -7.315 1.00 0.00 H new ATOM 0 HA ARG A 40 -5.222 5.926 -8.759 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -4.797 4.739 -5.996 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -6.247 4.616 -6.974 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -4.544 3.522 -8.728 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -3.625 3.191 -7.274 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -5.077 1.307 -7.756 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -5.596 2.079 -6.271 1.00 0.00 H new ATOM 0 HE ARG A 40 -7.235 3.331 -7.990 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -6.279 -0.077 -7.883 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -7.810 -0.644 -8.558 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -9.189 2.594 -8.855 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -9.454 0.866 -9.107 1.00 0.00 H new ATOM 665 N GLU A 41 -4.434 7.665 -6.113 1.00 0.00 N ATOM 666 CA GLU A 41 -4.767 8.862 -5.353 1.00 0.00 C ATOM 667 C GLU A 41 -3.940 10.054 -5.837 1.00 0.00 C ATOM 668 O GLU A 41 -2.864 10.328 -5.303 1.00 0.00 O ATOM 669 CB GLU A 41 -4.504 8.648 -3.863 1.00 0.00 C ATOM 670 CG GLU A 41 -5.200 7.439 -3.264 1.00 0.00 C ATOM 671 CD GLU A 41 -6.698 7.444 -3.477 1.00 0.00 C ATOM 672 OE1 GLU A 41 -7.312 8.534 -3.470 1.00 0.00 O ATOM 673 OE2 GLU A 41 -7.271 6.355 -3.654 1.00 0.00 O ATOM 0 H GLU A 41 -3.523 7.265 -5.889 1.00 0.00 H new ATOM 0 HA GLU A 41 -5.826 9.067 -5.507 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -3.430 8.546 -3.708 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -4.821 9.539 -3.320 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -4.781 6.533 -3.702 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -4.992 7.402 -2.195 1.00 0.00 H new ATOM 680 N PRO A 42 -4.433 10.793 -6.847 1.00 0.00 N ATOM 681 CA PRO A 42 -3.724 11.957 -7.397 1.00 0.00 C ATOM 682 C PRO A 42 -3.606 13.104 -6.391 1.00 0.00 C ATOM 683 O PRO A 42 -2.940 14.105 -6.654 1.00 0.00 O ATOM 684 CB PRO A 42 -4.587 12.387 -8.589 1.00 0.00 C ATOM 685 CG PRO A 42 -5.495 11.237 -8.861 1.00 0.00 C ATOM 686 CD PRO A 42 -5.704 10.553 -7.544 1.00 0.00 C ATOM 0 HA PRO A 42 -2.698 11.705 -7.666 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -5.154 13.288 -8.357 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -3.970 12.614 -9.458 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -6.443 11.579 -9.278 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -5.054 10.556 -9.589 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -6.549 10.974 -7.000 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -5.902 9.488 -7.668 1.00 0.00 H new ATOM 694 N SER A 43 -4.258 12.952 -5.246 1.00 0.00 N ATOM 695 CA SER A 43 -4.232 13.958 -4.199 1.00 0.00 C ATOM 696 C SER A 43 -2.911 13.929 -3.423 1.00 0.00 C ATOM 697 O SER A 43 -2.562 14.895 -2.743 1.00 0.00 O ATOM 698 CB SER A 43 -5.405 13.730 -3.248 1.00 0.00 C ATOM 699 OG SER A 43 -6.620 13.605 -3.972 1.00 0.00 O ATOM 0 H SER A 43 -4.817 12.130 -5.020 1.00 0.00 H new ATOM 0 HA SER A 43 -4.319 14.940 -4.664 1.00 0.00 H new ATOM 0 HB2 SER A 43 -5.232 12.829 -2.659 1.00 0.00 H new ATOM 0 HB3 SER A 43 -5.478 14.561 -2.546 1.00 0.00 H new ATOM 0 HG SER A 43 -7.360 13.458 -3.346 1.00 0.00 H new ATOM 705 N LEU A 44 -2.169 12.830 -3.534 1.00 0.00 N ATOM 706 CA LEU A 44 -0.909 12.695 -2.809 1.00 0.00 C ATOM 707 C LEU A 44 0.255 12.416 -3.749 1.00 0.00 C ATOM 708 O LEU A 44 1.340 12.041 -3.306 1.00 0.00 O ATOM 709 CB LEU A 44 -1.007 11.603 -1.731 1.00 0.00 C ATOM 710 CG LEU A 44 -1.459 10.220 -2.203 1.00 0.00 C ATOM 711 CD1 LEU A 44 -0.269 9.380 -2.637 1.00 0.00 C ATOM 712 CD2 LEU A 44 -2.236 9.519 -1.099 1.00 0.00 C ATOM 0 H LEU A 44 -2.415 12.027 -4.113 1.00 0.00 H new ATOM 0 HA LEU A 44 -0.716 13.648 -2.317 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.030 11.500 -1.259 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.699 11.944 -0.961 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.113 10.346 -3.066 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -0.616 8.401 -2.968 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.248 9.878 -3.457 1.00 0.00 H new ATOM 0 HD13 LEU A 44 0.415 9.257 -1.797 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -2.553 8.535 -1.445 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.600 9.407 -0.221 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -3.113 10.112 -0.838 1.00 0.00 H new ATOM 724 N LYS A 45 0.047 12.629 -5.041 1.00 0.00 N ATOM 725 CA LYS A 45 1.104 12.383 -6.021 1.00 0.00 C ATOM 726 C LYS A 45 2.174 13.475 -5.943 1.00 0.00 C ATOM 727 O LYS A 45 3.224 13.385 -6.578 1.00 0.00 O ATOM 728 CB LYS A 45 0.531 12.280 -7.444 1.00 0.00 C ATOM 729 CG LYS A 45 0.109 13.600 -8.057 1.00 0.00 C ATOM 730 CD LYS A 45 -0.608 13.380 -9.374 1.00 0.00 C ATOM 731 CE LYS A 45 -0.565 14.633 -10.224 1.00 0.00 C ATOM 732 NZ LYS A 45 -1.267 14.459 -11.524 1.00 0.00 N ATOM 0 H LYS A 45 -0.831 12.967 -5.435 1.00 0.00 H new ATOM 0 HA LYS A 45 1.569 11.427 -5.781 1.00 0.00 H new ATOM 0 HB2 LYS A 45 1.279 11.819 -8.089 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -0.330 11.612 -7.426 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -0.545 14.133 -7.367 1.00 0.00 H new ATOM 0 HG3 LYS A 45 0.985 14.228 -8.216 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -0.144 12.553 -9.912 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -1.644 13.097 -9.187 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -1.021 15.457 -9.675 1.00 0.00 H new ATOM 0 HE3 LYS A 45 0.473 14.908 -10.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -1.211 15.342 -12.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -0.817 13.691 -12.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -2.265 14.222 -11.351 1.00 0.00 H new ATOM 746 N ASN A 46 1.897 14.502 -5.144 1.00 0.00 N ATOM 747 CA ASN A 46 2.854 15.578 -4.910 1.00 0.00 C ATOM 748 C ASN A 46 3.903 15.144 -3.890 1.00 0.00 C ATOM 749 O ASN A 46 4.922 15.815 -3.707 1.00 0.00 O ATOM 750 CB ASN A 46 2.137 16.843 -4.408 1.00 0.00 C ATOM 751 CG ASN A 46 1.669 16.727 -2.964 1.00 0.00 C ATOM 752 OD1 ASN A 46 2.391 17.091 -2.035 1.00 0.00 O ATOM 753 ND2 ASN A 46 0.458 16.234 -2.763 1.00 0.00 N ATOM 0 H ASN A 46 1.014 14.611 -4.646 1.00 0.00 H new ATOM 0 HA ASN A 46 3.347 15.804 -5.856 1.00 0.00 H new ATOM 0 HB2 ASN A 46 2.810 17.696 -4.499 1.00 0.00 H new ATOM 0 HB3 ASN A 46 1.278 17.045 -5.048 1.00 0.00 H new ATOM 0 HD21 ASN A 46 0.094 16.145 -1.814 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -0.112 15.943 -3.557 1.00 0.00 H new ATOM 760 N SER A 47 3.650 14.018 -3.232 1.00 0.00 N ATOM 761 CA SER A 47 4.546 13.512 -2.206 1.00 0.00 C ATOM 762 C SER A 47 5.824 12.967 -2.841 1.00 0.00 C ATOM 763 O SER A 47 5.762 12.226 -3.827 1.00 0.00 O ATOM 764 CB SER A 47 3.848 12.408 -1.402 1.00 0.00 C ATOM 765 OG SER A 47 2.550 12.814 -0.997 1.00 0.00 O ATOM 0 H SER A 47 2.827 13.438 -3.394 1.00 0.00 H new ATOM 0 HA SER A 47 4.810 14.330 -1.535 1.00 0.00 H new ATOM 0 HB2 SER A 47 3.778 11.503 -2.006 1.00 0.00 H new ATOM 0 HB3 SER A 47 4.445 12.160 -0.525 1.00 0.00 H new ATOM 0 HG SER A 47 1.909 12.624 -1.714 1.00 0.00 H new ATOM 771 N ASN A 48 6.978 13.345 -2.288 1.00 0.00 N ATOM 772 CA ASN A 48 8.259 12.850 -2.786 1.00 0.00 C ATOM 773 C ASN A 48 8.261 11.330 -2.717 1.00 0.00 C ATOM 774 O ASN A 48 7.916 10.754 -1.690 1.00 0.00 O ATOM 775 CB ASN A 48 9.431 13.400 -1.955 1.00 0.00 C ATOM 776 CG ASN A 48 9.495 14.915 -1.932 1.00 0.00 C ATOM 777 OD1 ASN A 48 9.034 15.590 -2.852 1.00 0.00 O ATOM 778 ND2 ASN A 48 10.091 15.460 -0.885 1.00 0.00 N ATOM 0 H ASN A 48 7.050 13.988 -1.500 1.00 0.00 H new ATOM 0 HA ASN A 48 8.385 13.186 -3.815 1.00 0.00 H new ATOM 0 HB2 ASN A 48 9.346 13.032 -0.933 1.00 0.00 H new ATOM 0 HB3 ASN A 48 10.366 13.010 -2.357 1.00 0.00 H new ATOM 0 HD21 ASN A 48 10.181 16.474 -0.820 1.00 0.00 H new ATOM 0 HD22 ASN A 48 10.460 14.866 -0.142 1.00 0.00 H new ATOM 785 N PRO A 49 8.646 10.658 -3.815 1.00 0.00 N ATOM 786 CA PRO A 49 8.567 9.197 -3.920 1.00 0.00 C ATOM 787 C PRO A 49 9.384 8.481 -2.852 1.00 0.00 C ATOM 788 O PRO A 49 9.113 7.327 -2.536 1.00 0.00 O ATOM 789 CB PRO A 49 9.119 8.891 -5.315 1.00 0.00 C ATOM 790 CG PRO A 49 9.879 10.110 -5.711 1.00 0.00 C ATOM 791 CD PRO A 49 9.191 11.264 -5.042 1.00 0.00 C ATOM 0 HA PRO A 49 7.546 8.847 -3.771 1.00 0.00 H new ATOM 0 HB2 PRO A 49 9.764 8.013 -5.299 1.00 0.00 H new ATOM 0 HB3 PRO A 49 8.314 8.683 -6.020 1.00 0.00 H new ATOM 0 HG2 PRO A 49 10.920 10.040 -5.395 1.00 0.00 H new ATOM 0 HG3 PRO A 49 9.882 10.233 -6.794 1.00 0.00 H new ATOM 0 HD2 PRO A 49 9.886 12.073 -4.818 1.00 0.00 H new ATOM 0 HD3 PRO A 49 8.404 11.683 -5.669 1.00 0.00 H new ATOM 799 N ASP A 50 10.362 9.171 -2.284 1.00 0.00 N ATOM 800 CA ASP A 50 11.202 8.585 -1.248 1.00 0.00 C ATOM 801 C ASP A 50 10.498 8.645 0.108 1.00 0.00 C ATOM 802 O ASP A 50 10.670 7.761 0.944 1.00 0.00 O ATOM 803 CB ASP A 50 12.553 9.309 -1.169 1.00 0.00 C ATOM 804 CG ASP A 50 13.169 9.566 -2.527 1.00 0.00 C ATOM 805 OD1 ASP A 50 13.591 8.600 -3.191 1.00 0.00 O ATOM 806 OD2 ASP A 50 13.233 10.745 -2.937 1.00 0.00 O ATOM 0 H ASP A 50 10.594 10.135 -2.522 1.00 0.00 H new ATOM 0 HA ASP A 50 11.381 7.542 -1.508 1.00 0.00 H new ATOM 0 HB2 ASP A 50 12.420 10.259 -0.652 1.00 0.00 H new ATOM 0 HB3 ASP A 50 13.243 8.714 -0.570 1.00 0.00 H new ATOM 811 N GLU A 51 9.666 9.666 0.287 1.00 0.00 N ATOM 812 CA GLU A 51 8.985 9.930 1.553 1.00 0.00 C ATOM 813 C GLU A 51 7.507 10.189 1.289 1.00 0.00 C ATOM 814 O GLU A 51 7.020 11.302 1.493 1.00 0.00 O ATOM 815 CB GLU A 51 9.591 11.172 2.225 1.00 0.00 C ATOM 816 CG GLU A 51 10.834 10.902 3.049 1.00 0.00 C ATOM 817 CD GLU A 51 11.480 12.180 3.534 1.00 0.00 C ATOM 818 OE1 GLU A 51 12.302 12.761 2.790 1.00 0.00 O ATOM 819 OE2 GLU A 51 11.161 12.623 4.658 1.00 0.00 O ATOM 0 H GLU A 51 9.443 10.339 -0.446 1.00 0.00 H new ATOM 0 HA GLU A 51 9.104 9.065 2.206 1.00 0.00 H new ATOM 0 HB2 GLU A 51 9.834 11.903 1.454 1.00 0.00 H new ATOM 0 HB3 GLU A 51 8.837 11.625 2.868 1.00 0.00 H new ATOM 0 HG2 GLU A 51 10.573 10.280 3.905 1.00 0.00 H new ATOM 0 HG3 GLU A 51 11.550 10.338 2.451 1.00 0.00 H new ATOM 826 N ILE A 52 6.790 9.176 0.827 1.00 0.00 N ATOM 827 CA ILE A 52 5.439 9.393 0.343 1.00 0.00 C ATOM 828 C ILE A 52 4.444 9.506 1.494 1.00 0.00 C ATOM 829 O ILE A 52 4.583 8.844 2.523 1.00 0.00 O ATOM 830 CB ILE A 52 4.996 8.299 -0.648 1.00 0.00 C ATOM 831 CG1 ILE A 52 4.525 7.057 0.065 1.00 0.00 C ATOM 832 CG2 ILE A 52 6.144 7.929 -1.563 1.00 0.00 C ATOM 833 CD1 ILE A 52 3.707 6.164 -0.833 1.00 0.00 C ATOM 0 H ILE A 52 7.116 8.211 0.778 1.00 0.00 H new ATOM 0 HA ILE A 52 5.450 10.341 -0.194 1.00 0.00 H new ATOM 0 HB ILE A 52 4.166 8.705 -1.227 1.00 0.00 H new ATOM 0 HG12 ILE A 52 5.387 6.504 0.437 1.00 0.00 H new ATOM 0 HG13 ILE A 52 3.930 7.341 0.933 1.00 0.00 H new ATOM 0 HG21 ILE A 52 5.820 7.155 -2.259 1.00 0.00 H new ATOM 0 HG22 ILE A 52 6.462 8.809 -2.122 1.00 0.00 H new ATOM 0 HG23 ILE A 52 6.978 7.556 -0.968 1.00 0.00 H new ATOM 0 HD11 ILE A 52 3.389 5.282 -0.277 1.00 0.00 H new ATOM 0 HD12 ILE A 52 2.830 6.707 -1.185 1.00 0.00 H new ATOM 0 HD13 ILE A 52 4.310 5.857 -1.687 1.00 0.00 H new ATOM 845 N GLU A 53 3.453 10.365 1.305 1.00 0.00 N ATOM 846 CA GLU A 53 2.474 10.661 2.330 1.00 0.00 C ATOM 847 C GLU A 53 1.155 9.964 1.998 1.00 0.00 C ATOM 848 O GLU A 53 0.443 10.376 1.079 1.00 0.00 O ATOM 849 CB GLU A 53 2.270 12.176 2.381 1.00 0.00 C ATOM 850 CG GLU A 53 2.113 12.759 3.777 1.00 0.00 C ATOM 851 CD GLU A 53 1.153 11.986 4.651 1.00 0.00 C ATOM 852 OE1 GLU A 53 -0.073 12.199 4.525 1.00 0.00 O ATOM 853 OE2 GLU A 53 1.630 11.186 5.482 1.00 0.00 O ATOM 0 H GLU A 53 3.309 10.875 0.434 1.00 0.00 H new ATOM 0 HA GLU A 53 2.822 10.302 3.299 1.00 0.00 H new ATOM 0 HB2 GLU A 53 3.119 12.658 1.896 1.00 0.00 H new ATOM 0 HB3 GLU A 53 1.385 12.428 1.797 1.00 0.00 H new ATOM 0 HG2 GLU A 53 3.089 12.788 4.261 1.00 0.00 H new ATOM 0 HG3 GLU A 53 1.767 13.789 3.695 1.00 0.00 H new ATOM 860 N ILE A 54 0.834 8.916 2.738 1.00 0.00 N ATOM 861 CA ILE A 54 -0.389 8.155 2.497 1.00 0.00 C ATOM 862 C ILE A 54 -1.416 8.435 3.582 1.00 0.00 C ATOM 863 O ILE A 54 -1.081 8.442 4.766 1.00 0.00 O ATOM 864 CB ILE A 54 -0.122 6.638 2.463 1.00 0.00 C ATOM 865 CG1 ILE A 54 0.864 6.280 1.359 1.00 0.00 C ATOM 866 CG2 ILE A 54 -1.422 5.880 2.254 1.00 0.00 C ATOM 867 CD1 ILE A 54 1.306 4.836 1.407 1.00 0.00 C ATOM 0 H ILE A 54 1.401 8.570 3.512 1.00 0.00 H new ATOM 0 HA ILE A 54 -0.769 8.472 1.526 1.00 0.00 H new ATOM 0 HB ILE A 54 0.313 6.352 3.421 1.00 0.00 H new ATOM 0 HG12 ILE A 54 0.406 6.482 0.391 1.00 0.00 H new ATOM 0 HG13 ILE A 54 1.739 6.925 1.438 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -1.219 4.809 2.232 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -2.108 6.103 3.071 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -1.872 6.184 1.309 1.00 0.00 H new ATOM 0 HD11 ILE A 54 2.008 4.643 0.595 1.00 0.00 H new ATOM 0 HD12 ILE A 54 1.792 4.636 2.362 1.00 0.00 H new ATOM 0 HD13 ILE A 54 0.438 4.186 1.298 1.00 0.00 H new ATOM 879 N ASP A 55 -2.665 8.641 3.182 1.00 0.00 N ATOM 880 CA ASP A 55 -3.730 8.865 4.147 1.00 0.00 C ATOM 881 C ASP A 55 -4.779 7.778 3.994 1.00 0.00 C ATOM 882 O ASP A 55 -5.695 7.894 3.178 1.00 0.00 O ATOM 883 CB ASP A 55 -4.365 10.244 3.964 1.00 0.00 C ATOM 884 CG ASP A 55 -5.269 10.612 5.124 1.00 0.00 C ATOM 885 OD1 ASP A 55 -6.246 9.879 5.392 1.00 0.00 O ATOM 886 OD2 ASP A 55 -4.995 11.631 5.789 1.00 0.00 O ATOM 0 H ASP A 55 -2.962 8.657 2.206 1.00 0.00 H new ATOM 0 HA ASP A 55 -3.306 8.829 5.150 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -3.580 10.994 3.864 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -4.940 10.258 3.038 1.00 0.00 H new ATOM 891 N PHE A 56 -4.648 6.731 4.794 1.00 0.00 N ATOM 892 CA PHE A 56 -5.442 5.522 4.622 1.00 0.00 C ATOM 893 C PHE A 56 -6.939 5.757 4.781 1.00 0.00 C ATOM 894 O PHE A 56 -7.747 4.944 4.340 1.00 0.00 O ATOM 895 CB PHE A 56 -4.965 4.446 5.586 1.00 0.00 C ATOM 896 CG PHE A 56 -4.127 3.417 4.902 1.00 0.00 C ATOM 897 CD1 PHE A 56 -2.771 3.612 4.709 1.00 0.00 C ATOM 898 CD2 PHE A 56 -4.710 2.270 4.415 1.00 0.00 C ATOM 899 CE1 PHE A 56 -2.015 2.668 4.041 1.00 0.00 C ATOM 900 CE2 PHE A 56 -3.966 1.326 3.754 1.00 0.00 C ATOM 901 CZ PHE A 56 -2.619 1.519 3.562 1.00 0.00 C ATOM 0 H PHE A 56 -3.994 6.694 5.576 1.00 0.00 H new ATOM 0 HA PHE A 56 -5.293 5.190 3.595 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -4.390 4.907 6.389 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -5.827 3.964 6.047 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -2.300 4.509 5.083 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -5.769 2.110 4.555 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -0.957 2.826 3.893 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -4.440 0.429 3.384 1.00 0.00 H new ATOM 0 HZ PHE A 56 -2.034 0.777 3.039 1.00 0.00 H new ATOM 911 N GLU A 57 -7.310 6.876 5.373 1.00 0.00 N ATOM 912 CA GLU A 57 -8.709 7.176 5.602 1.00 0.00 C ATOM 913 C GLU A 57 -9.311 7.950 4.433 1.00 0.00 C ATOM 914 O GLU A 57 -10.492 8.300 4.454 1.00 0.00 O ATOM 915 CB GLU A 57 -8.852 7.962 6.896 1.00 0.00 C ATOM 916 CG GLU A 57 -8.491 7.154 8.131 1.00 0.00 C ATOM 917 CD GLU A 57 -9.465 6.025 8.397 1.00 0.00 C ATOM 918 OE1 GLU A 57 -9.481 5.047 7.623 1.00 0.00 O ATOM 919 OE2 GLU A 57 -10.220 6.109 9.389 1.00 0.00 O ATOM 0 H GLU A 57 -6.662 7.591 5.704 1.00 0.00 H new ATOM 0 HA GLU A 57 -9.257 6.237 5.686 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -8.215 8.845 6.849 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -9.879 8.314 6.988 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -7.489 6.743 8.011 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -8.462 7.815 8.997 1.00 0.00 H new ATOM 926 N THR A 58 -8.500 8.217 3.414 1.00 0.00 N ATOM 927 CA THR A 58 -8.972 8.950 2.248 1.00 0.00 C ATOM 928 C THR A 58 -8.685 8.202 0.950 1.00 0.00 C ATOM 929 O THR A 58 -9.105 8.634 -0.125 1.00 0.00 O ATOM 930 CB THR A 58 -8.344 10.352 2.172 1.00 0.00 C ATOM 931 OG1 THR A 58 -6.915 10.250 2.138 1.00 0.00 O ATOM 932 CG2 THR A 58 -8.764 11.188 3.364 1.00 0.00 C ATOM 0 H THR A 58 -7.520 7.938 3.373 1.00 0.00 H new ATOM 0 HA THR A 58 -10.051 9.047 2.365 1.00 0.00 H new ATOM 0 HB THR A 58 -8.694 10.836 1.260 1.00 0.00 H new ATOM 0 HG1 THR A 58 -6.645 9.347 2.407 1.00 0.00 H new ATOM 0 HG21 THR A 58 -8.310 12.176 3.293 1.00 0.00 H new ATOM 0 HG22 THR A 58 -9.849 11.287 3.375 1.00 0.00 H new ATOM 0 HG23 THR A 58 -8.435 10.703 4.283 1.00 0.00 H new ATOM 940 N LEU A 59 -7.957 7.092 1.040 1.00 0.00 N ATOM 941 CA LEU A 59 -7.697 6.272 -0.143 1.00 0.00 C ATOM 942 C LEU A 59 -9.001 5.638 -0.592 1.00 0.00 C ATOM 943 O LEU A 59 -9.834 5.260 0.238 1.00 0.00 O ATOM 944 CB LEU A 59 -6.682 5.153 0.129 1.00 0.00 C ATOM 945 CG LEU A 59 -5.521 5.506 1.057 1.00 0.00 C ATOM 946 CD1 LEU A 59 -4.571 4.325 1.193 1.00 0.00 C ATOM 947 CD2 LEU A 59 -4.786 6.748 0.568 1.00 0.00 C ATOM 0 H LEU A 59 -7.542 6.743 1.904 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.279 6.924 -0.910 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -7.215 4.303 0.555 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.270 4.825 -0.825 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.928 5.732 2.043 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.750 4.593 1.857 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -5.108 3.472 1.607 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.174 4.063 0.212 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -3.965 6.976 1.247 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.390 6.567 -0.431 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -5.476 7.591 0.538 1.00 0.00 H new ATOM 959 N LYS A 60 -9.186 5.537 -1.892 1.00 0.00 N ATOM 960 CA LYS A 60 -10.358 4.893 -2.452 1.00 0.00 C ATOM 961 C LYS A 60 -10.360 3.413 -2.067 1.00 0.00 C ATOM 962 O LYS A 60 -9.300 2.792 -1.965 1.00 0.00 O ATOM 963 CB LYS A 60 -10.342 5.056 -3.975 1.00 0.00 C ATOM 964 CG LYS A 60 -10.210 6.504 -4.431 1.00 0.00 C ATOM 965 CD LYS A 60 -10.144 6.618 -5.944 1.00 0.00 C ATOM 966 CE LYS A 60 -9.913 8.057 -6.376 1.00 0.00 C ATOM 967 NZ LYS A 60 -8.586 8.577 -5.936 1.00 0.00 N ATOM 0 H LYS A 60 -8.533 5.897 -2.588 1.00 0.00 H new ATOM 0 HA LYS A 60 -11.263 5.355 -2.058 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -9.514 4.477 -4.385 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -11.260 4.636 -4.387 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -11.058 7.080 -4.060 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -9.312 6.942 -3.995 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -9.340 5.988 -6.324 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -11.072 6.249 -6.380 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -9.984 8.123 -7.462 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -10.702 8.688 -5.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -8.476 9.561 -6.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -8.525 8.540 -4.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -7.830 7.993 -6.348 1.00 0.00 H new ATOM 981 N PRO A 61 -11.553 2.837 -1.826 1.00 0.00 N ATOM 982 CA PRO A 61 -11.695 1.420 -1.458 1.00 0.00 C ATOM 983 C PRO A 61 -11.007 0.499 -2.454 1.00 0.00 C ATOM 984 O PRO A 61 -10.484 -0.558 -2.091 1.00 0.00 O ATOM 985 CB PRO A 61 -13.207 1.180 -1.488 1.00 0.00 C ATOM 986 CG PRO A 61 -13.841 2.525 -1.359 1.00 0.00 C ATOM 987 CD PRO A 61 -12.850 3.534 -1.885 1.00 0.00 C ATOM 0 HA PRO A 61 -11.237 1.210 -0.492 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -13.506 0.695 -2.417 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -13.514 0.524 -0.673 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -14.772 2.568 -1.925 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -14.090 2.735 -0.319 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -13.093 3.836 -2.904 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -12.843 4.439 -1.277 1.00 0.00 H new ATOM 995 N SER A 62 -11.006 0.916 -3.709 1.00 0.00 N ATOM 996 CA SER A 62 -10.367 0.162 -4.769 1.00 0.00 C ATOM 997 C SER A 62 -8.850 0.197 -4.613 1.00 0.00 C ATOM 998 O SER A 62 -8.162 -0.799 -4.862 1.00 0.00 O ATOM 999 CB SER A 62 -10.790 0.734 -6.119 1.00 0.00 C ATOM 1000 OG SER A 62 -10.741 2.154 -6.104 1.00 0.00 O ATOM 0 H SER A 62 -11.446 1.782 -4.019 1.00 0.00 H new ATOM 0 HA SER A 62 -10.681 -0.880 -4.711 1.00 0.00 H new ATOM 0 HB2 SER A 62 -10.135 0.351 -6.902 1.00 0.00 H new ATOM 0 HB3 SER A 62 -11.801 0.403 -6.358 1.00 0.00 H new ATOM 0 HG SER A 62 -11.014 2.500 -6.979 1.00 0.00 H new ATOM 1006 N THR A 63 -8.338 1.344 -4.181 1.00 0.00 N ATOM 1007 CA THR A 63 -6.920 1.498 -3.916 1.00 0.00 C ATOM 1008 C THR A 63 -6.501 0.545 -2.808 1.00 0.00 C ATOM 1009 O THR A 63 -5.545 -0.207 -2.959 1.00 0.00 O ATOM 1010 CB THR A 63 -6.570 2.953 -3.522 1.00 0.00 C ATOM 1011 OG1 THR A 63 -7.297 3.853 -4.369 1.00 0.00 O ATOM 1012 CG2 THR A 63 -5.081 3.211 -3.681 1.00 0.00 C ATOM 0 H THR A 63 -8.891 2.183 -4.007 1.00 0.00 H new ATOM 0 HA THR A 63 -6.377 1.261 -4.831 1.00 0.00 H new ATOM 0 HB THR A 63 -6.841 3.110 -2.478 1.00 0.00 H new ATOM 0 HG1 THR A 63 -7.390 4.720 -3.922 1.00 0.00 H new ATOM 0 HG21 THR A 63 -4.858 4.240 -3.399 1.00 0.00 H new ATOM 0 HG22 THR A 63 -4.523 2.529 -3.039 1.00 0.00 H new ATOM 0 HG23 THR A 63 -4.793 3.049 -4.720 1.00 0.00 H new ATOM 1020 N LEU A 64 -7.267 0.546 -1.722 1.00 0.00 N ATOM 1021 CA LEU A 64 -6.994 -0.317 -0.577 1.00 0.00 C ATOM 1022 C LEU A 64 -6.949 -1.788 -0.974 1.00 0.00 C ATOM 1023 O LEU A 64 -6.056 -2.521 -0.562 1.00 0.00 O ATOM 1024 CB LEU A 64 -8.058 -0.114 0.505 1.00 0.00 C ATOM 1025 CG LEU A 64 -8.001 1.227 1.235 1.00 0.00 C ATOM 1026 CD1 LEU A 64 -9.211 1.402 2.139 1.00 0.00 C ATOM 1027 CD2 LEU A 64 -6.732 1.323 2.052 1.00 0.00 C ATOM 0 H LEU A 64 -8.089 1.140 -1.610 1.00 0.00 H new ATOM 0 HA LEU A 64 -6.014 -0.040 -0.188 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -9.042 -0.218 0.048 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -7.962 -0.913 1.240 1.00 0.00 H new ATOM 0 HG LEU A 64 -8.008 2.021 0.489 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -9.149 2.364 2.648 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -10.121 1.367 1.540 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -9.232 0.601 2.878 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -6.703 2.283 2.567 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -6.709 0.517 2.785 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -5.868 1.239 1.393 1.00 0.00 H new ATOM 1039 N ARG A 65 -7.890 -2.213 -1.800 1.00 0.00 N ATOM 1040 CA ARG A 65 -7.985 -3.621 -2.165 1.00 0.00 C ATOM 1041 C ARG A 65 -6.915 -3.993 -3.181 1.00 0.00 C ATOM 1042 O ARG A 65 -6.640 -5.169 -3.392 1.00 0.00 O ATOM 1043 CB ARG A 65 -9.383 -3.962 -2.688 1.00 0.00 C ATOM 1044 CG ARG A 65 -10.332 -4.515 -1.624 1.00 0.00 C ATOM 1045 CD ARG A 65 -9.805 -5.775 -0.944 1.00 0.00 C ATOM 1046 NE ARG A 65 -10.758 -6.256 0.060 1.00 0.00 N ATOM 1047 CZ ARG A 65 -10.436 -6.622 1.303 1.00 0.00 C ATOM 1048 NH1 ARG A 65 -9.166 -6.773 1.660 1.00 0.00 N ATOM 1049 NH2 ARG A 65 -11.395 -6.893 2.178 1.00 0.00 N ATOM 0 H ARG A 65 -8.594 -1.612 -2.228 1.00 0.00 H new ATOM 0 HA ARG A 65 -7.813 -4.212 -1.265 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -9.825 -3.065 -3.122 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -9.290 -4.693 -3.491 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -10.507 -3.749 -0.869 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -11.295 -4.734 -2.084 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -9.631 -6.551 -1.689 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -8.845 -5.566 -0.471 1.00 0.00 H new ATOM 0 HE ARG A 65 -11.740 -6.316 -0.211 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -8.422 -6.609 0.981 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -8.934 -7.053 2.613 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -12.374 -6.821 1.900 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -11.154 -7.173 3.129 1.00 0.00 H new ATOM 1063 N GLU A 66 -6.305 -2.988 -3.796 1.00 0.00 N ATOM 1064 CA GLU A 66 -5.178 -3.209 -4.680 1.00 0.00 C ATOM 1065 C GLU A 66 -3.896 -3.268 -3.862 1.00 0.00 C ATOM 1066 O GLU A 66 -3.038 -4.117 -4.092 1.00 0.00 O ATOM 1067 CB GLU A 66 -5.123 -2.097 -5.731 1.00 0.00 C ATOM 1068 CG GLU A 66 -3.823 -2.025 -6.514 1.00 0.00 C ATOM 1069 CD GLU A 66 -3.642 -3.160 -7.498 1.00 0.00 C ATOM 1070 OE1 GLU A 66 -3.329 -4.287 -7.075 1.00 0.00 O ATOM 1071 OE2 GLU A 66 -3.791 -2.919 -8.716 1.00 0.00 O ATOM 0 H GLU A 66 -6.576 -2.010 -3.695 1.00 0.00 H new ATOM 0 HA GLU A 66 -5.292 -4.159 -5.202 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -5.946 -2.238 -6.432 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -5.286 -1.140 -5.236 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -3.786 -1.079 -7.054 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -2.987 -2.026 -5.814 1.00 0.00 H new ATOM 1078 N LEU A 67 -3.800 -2.391 -2.872 1.00 0.00 N ATOM 1079 CA LEU A 67 -2.644 -2.343 -2.003 1.00 0.00 C ATOM 1080 C LEU A 67 -2.567 -3.635 -1.201 1.00 0.00 C ATOM 1081 O LEU A 67 -1.519 -4.270 -1.102 1.00 0.00 O ATOM 1082 CB LEU A 67 -2.771 -1.154 -1.046 1.00 0.00 C ATOM 1083 CG LEU A 67 -3.011 0.199 -1.713 1.00 0.00 C ATOM 1084 CD1 LEU A 67 -3.109 1.290 -0.665 1.00 0.00 C ATOM 1085 CD2 LEU A 67 -1.911 0.510 -2.705 1.00 0.00 C ATOM 0 H LEU A 67 -4.518 -1.700 -2.654 1.00 0.00 H new ATOM 0 HA LEU A 67 -1.741 -2.228 -2.602 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -3.591 -1.351 -0.356 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.861 -1.090 -0.450 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.954 0.154 -2.257 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.280 2.249 -1.153 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.937 1.073 0.009 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.180 1.333 -0.096 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.102 1.478 -3.168 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.952 0.538 -2.188 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.886 -0.262 -3.474 1.00 0.00 H new ATOM 1097 N GLU A 68 -3.715 -4.025 -0.660 1.00 0.00 N ATOM 1098 CA GLU A 68 -3.808 -5.190 0.208 1.00 0.00 C ATOM 1099 C GLU A 68 -3.647 -6.481 -0.579 1.00 0.00 C ATOM 1100 O GLU A 68 -2.793 -7.302 -0.243 1.00 0.00 O ATOM 1101 CB GLU A 68 -5.139 -5.188 0.958 1.00 0.00 C ATOM 1102 CG GLU A 68 -5.307 -6.341 1.930 1.00 0.00 C ATOM 1103 CD GLU A 68 -6.019 -7.527 1.320 1.00 0.00 C ATOM 1104 OE1 GLU A 68 -6.849 -7.320 0.410 1.00 0.00 O ATOM 1105 OE2 GLU A 68 -5.760 -8.668 1.757 1.00 0.00 O ATOM 0 H GLU A 68 -4.602 -3.545 -0.810 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.994 -5.135 0.931 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -5.234 -4.250 1.505 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -5.952 -5.218 0.233 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -4.326 -6.656 2.285 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -5.865 -5.997 2.801 1.00 0.00 H new ATOM 1112 N ARG A 69 -4.468 -6.662 -1.618 1.00 0.00 N ATOM 1113 CA ARG A 69 -4.385 -7.865 -2.451 1.00 0.00 C ATOM 1114 C ARG A 69 -2.958 -8.098 -2.926 1.00 0.00 C ATOM 1115 O ARG A 69 -2.502 -9.240 -3.039 1.00 0.00 O ATOM 1116 CB ARG A 69 -5.303 -7.770 -3.664 1.00 0.00 C ATOM 1117 CG ARG A 69 -5.277 -9.025 -4.511 1.00 0.00 C ATOM 1118 CD ARG A 69 -5.755 -8.761 -5.930 1.00 0.00 C ATOM 1119 NE ARG A 69 -5.030 -7.657 -6.563 1.00 0.00 N ATOM 1120 CZ ARG A 69 -5.095 -7.372 -7.862 1.00 0.00 C ATOM 1121 NH1 ARG A 69 -5.811 -8.134 -8.680 1.00 0.00 N ATOM 1122 NH2 ARG A 69 -4.439 -6.324 -8.344 1.00 0.00 N ATOM 0 H ARG A 69 -5.190 -5.999 -1.900 1.00 0.00 H new ATOM 0 HA ARG A 69 -4.705 -8.703 -1.832 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -6.323 -7.582 -3.330 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -5.006 -6.917 -4.275 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -4.263 -9.424 -4.538 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -5.907 -9.786 -4.051 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -5.631 -9.664 -6.527 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -6.821 -8.532 -5.916 1.00 0.00 H new ATOM 0 HE ARG A 69 -4.439 -7.071 -5.973 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -6.315 -8.942 -8.314 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -5.858 -7.911 -9.674 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -3.885 -5.737 -7.719 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -4.488 -6.105 -9.339 1.00 0.00 H new ATOM 1136 N TYR A 70 -2.253 -7.015 -3.176 1.00 0.00 N ATOM 1137 CA TYR A 70 -0.896 -7.099 -3.679 1.00 0.00 C ATOM 1138 C TYR A 70 0.063 -7.540 -2.578 1.00 0.00 C ATOM 1139 O TYR A 70 0.811 -8.503 -2.750 1.00 0.00 O ATOM 1140 CB TYR A 70 -0.458 -5.758 -4.275 1.00 0.00 C ATOM 1141 CG TYR A 70 1.018 -5.689 -4.578 1.00 0.00 C ATOM 1142 CD1 TYR A 70 1.556 -6.319 -5.692 1.00 0.00 C ATOM 1143 CD2 TYR A 70 1.874 -5.007 -3.731 1.00 0.00 C ATOM 1144 CE1 TYR A 70 2.910 -6.269 -5.954 1.00 0.00 C ATOM 1145 CE2 TYR A 70 3.231 -4.955 -3.983 1.00 0.00 C ATOM 1146 CZ TYR A 70 3.744 -5.590 -5.094 1.00 0.00 C ATOM 1147 OH TYR A 70 5.096 -5.553 -5.341 1.00 0.00 O ATOM 0 H TYR A 70 -2.597 -6.064 -3.039 1.00 0.00 H new ATOM 0 HA TYR A 70 -0.871 -7.849 -4.470 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -1.018 -5.577 -5.192 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -0.716 -4.959 -3.580 1.00 0.00 H new ATOM 0 HD1 TYR A 70 0.904 -6.857 -6.365 1.00 0.00 H new ATOM 0 HD2 TYR A 70 1.475 -4.508 -2.860 1.00 0.00 H new ATOM 0 HE1 TYR A 70 3.313 -6.759 -6.828 1.00 0.00 H new ATOM 0 HE2 TYR A 70 3.887 -4.419 -3.313 1.00 0.00 H new ATOM 0 HH TYR A 70 5.500 -4.814 -4.839 1.00 0.00 H new ATOM 1157 N VAL A 71 0.028 -6.856 -1.441 1.00 0.00 N ATOM 1158 CA VAL A 71 0.957 -7.157 -0.362 1.00 0.00 C ATOM 1159 C VAL A 71 0.702 -8.534 0.226 1.00 0.00 C ATOM 1160 O VAL A 71 1.640 -9.297 0.427 1.00 0.00 O ATOM 1161 CB VAL A 71 0.945 -6.095 0.756 1.00 0.00 C ATOM 1162 CG1 VAL A 71 1.326 -4.744 0.194 1.00 0.00 C ATOM 1163 CG2 VAL A 71 -0.396 -6.018 1.466 1.00 0.00 C ATOM 0 H VAL A 71 -0.626 -6.098 -1.244 1.00 0.00 H new ATOM 0 HA VAL A 71 1.949 -7.143 -0.814 1.00 0.00 H new ATOM 0 HB VAL A 71 1.682 -6.397 1.500 1.00 0.00 H new ATOM 0 HG11 VAL A 71 1.314 -4.002 0.992 1.00 0.00 H new ATOM 0 HG12 VAL A 71 2.326 -4.798 -0.237 1.00 0.00 H new ATOM 0 HG13 VAL A 71 0.613 -4.457 -0.579 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -0.353 -5.256 2.244 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -1.174 -5.759 0.748 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -0.625 -6.984 1.917 1.00 0.00 H new ATOM 1173 N THR A 72 -0.564 -8.867 0.462 1.00 0.00 N ATOM 1174 CA THR A 72 -0.922 -10.156 1.039 1.00 0.00 C ATOM 1175 C THR A 72 -0.406 -11.297 0.164 1.00 0.00 C ATOM 1176 O THR A 72 -0.060 -12.367 0.663 1.00 0.00 O ATOM 1177 CB THR A 72 -2.452 -10.280 1.244 1.00 0.00 C ATOM 1178 OG1 THR A 72 -2.755 -11.401 2.079 1.00 0.00 O ATOM 1179 CG2 THR A 72 -3.179 -10.443 -0.076 1.00 0.00 C ATOM 0 H THR A 72 -1.359 -8.260 0.262 1.00 0.00 H new ATOM 0 HA THR A 72 -0.448 -10.224 2.018 1.00 0.00 H new ATOM 0 HB THR A 72 -2.789 -9.359 1.720 1.00 0.00 H new ATOM 0 HG1 THR A 72 -3.725 -11.465 2.201 1.00 0.00 H new ATOM 0 HG21 THR A 72 -4.250 -10.527 0.107 1.00 0.00 H new ATOM 0 HG22 THR A 72 -2.985 -9.576 -0.707 1.00 0.00 H new ATOM 0 HG23 THR A 72 -2.825 -11.344 -0.578 1.00 0.00 H new ATOM 1187 N SER A 73 -0.316 -11.042 -1.136 1.00 0.00 N ATOM 1188 CA SER A 73 0.195 -12.023 -2.076 1.00 0.00 C ATOM 1189 C SER A 73 1.716 -12.159 -1.976 1.00 0.00 C ATOM 1190 O SER A 73 2.282 -13.181 -2.356 1.00 0.00 O ATOM 1191 CB SER A 73 -0.218 -11.642 -3.482 1.00 0.00 C ATOM 1192 OG SER A 73 -1.628 -11.703 -3.631 1.00 0.00 O ATOM 0 H SER A 73 -0.593 -10.157 -1.562 1.00 0.00 H new ATOM 0 HA SER A 73 -0.232 -12.994 -1.826 1.00 0.00 H new ATOM 0 HB2 SER A 73 0.132 -10.635 -3.708 1.00 0.00 H new ATOM 0 HB3 SER A 73 0.257 -12.312 -4.199 1.00 0.00 H new ATOM 0 HG SER A 73 -1.993 -10.794 -3.664 1.00 0.00 H new ATOM 1198 N CYS A 74 2.373 -11.127 -1.462 1.00 0.00 N ATOM 1199 CA CYS A 74 3.819 -11.150 -1.302 1.00 0.00 C ATOM 1200 C CYS A 74 4.208 -11.707 0.067 1.00 0.00 C ATOM 1201 O CYS A 74 5.057 -12.590 0.163 1.00 0.00 O ATOM 1202 CB CYS A 74 4.406 -9.749 -1.497 1.00 0.00 C ATOM 1203 SG CYS A 74 6.207 -9.677 -1.351 1.00 0.00 S ATOM 0 H CYS A 74 1.927 -10.265 -1.149 1.00 0.00 H new ATOM 0 HA CYS A 74 4.232 -11.808 -2.067 1.00 0.00 H new ATOM 0 HB2 CYS A 74 4.117 -9.379 -2.481 1.00 0.00 H new ATOM 0 HB3 CYS A 74 3.965 -9.076 -0.761 1.00 0.00 H new ATOM 0 HG CYS A 74 6.529 -9.240 -0.170 1.00 0.00 H new ATOM 1209 N LEU A 75 3.587 -11.173 1.120 1.00 0.00 N ATOM 1210 CA LEU A 75 3.821 -11.631 2.494 1.00 0.00 C ATOM 1211 C LEU A 75 3.614 -13.137 2.607 1.00 0.00 C ATOM 1212 O LEU A 75 4.385 -13.842 3.253 1.00 0.00 O ATOM 1213 CB LEU A 75 2.846 -10.934 3.446 1.00 0.00 C ATOM 1214 CG LEU A 75 2.512 -9.499 3.096 1.00 0.00 C ATOM 1215 CD1 LEU A 75 1.317 -9.034 3.893 1.00 0.00 C ATOM 1216 CD2 LEU A 75 3.712 -8.613 3.352 1.00 0.00 C ATOM 0 H LEU A 75 2.910 -10.414 1.047 1.00 0.00 H new ATOM 0 HA LEU A 75 4.850 -11.388 2.759 1.00 0.00 H new ATOM 0 HB2 LEU A 75 1.920 -11.508 3.475 1.00 0.00 H new ATOM 0 HB3 LEU A 75 3.267 -10.957 4.451 1.00 0.00 H new ATOM 0 HG LEU A 75 2.259 -9.437 2.038 1.00 0.00 H new ATOM 0 HD11 LEU A 75 1.086 -8.001 3.633 1.00 0.00 H new ATOM 0 HD12 LEU A 75 0.459 -9.666 3.665 1.00 0.00 H new ATOM 0 HD13 LEU A 75 1.542 -9.099 4.958 1.00 0.00 H new ATOM 0 HD21 LEU A 75 3.464 -7.582 3.098 1.00 0.00 H new ATOM 0 HD22 LEU A 75 3.989 -8.671 4.405 1.00 0.00 H new ATOM 0 HD23 LEU A 75 4.548 -8.947 2.738 1.00 0.00 H new ATOM 1228 N ARG A 76 2.568 -13.612 1.954 1.00 0.00 N ATOM 1229 CA ARG A 76 2.159 -15.007 2.030 1.00 0.00 C ATOM 1230 C ARG A 76 2.807 -15.842 0.928 1.00 0.00 C ATOM 1231 O ARG A 76 2.238 -16.831 0.459 1.00 0.00 O ATOM 1232 CB ARG A 76 0.637 -15.090 1.975 1.00 0.00 C ATOM 1233 CG ARG A 76 -0.017 -14.543 3.227 1.00 0.00 C ATOM 1234 CD ARG A 76 -1.473 -14.195 2.991 1.00 0.00 C ATOM 1235 NE ARG A 76 -2.154 -13.852 4.244 1.00 0.00 N ATOM 1236 CZ ARG A 76 -1.951 -12.729 4.939 1.00 0.00 C ATOM 1237 NH1 ARG A 76 -1.108 -11.802 4.500 1.00 0.00 N ATOM 1238 NH2 ARG A 76 -2.598 -12.531 6.077 1.00 0.00 N ATOM 0 H ARG A 76 1.975 -13.040 1.353 1.00 0.00 H new ATOM 0 HA ARG A 76 2.501 -15.424 2.977 1.00 0.00 H new ATOM 0 HB2 ARG A 76 0.277 -14.536 1.108 1.00 0.00 H new ATOM 0 HB3 ARG A 76 0.337 -16.129 1.836 1.00 0.00 H new ATOM 0 HG2 ARG A 76 0.056 -15.279 4.027 1.00 0.00 H new ATOM 0 HG3 ARG A 76 0.520 -13.655 3.560 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -1.540 -13.356 2.298 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -1.978 -15.039 2.520 1.00 0.00 H new ATOM 0 HE ARG A 76 -2.832 -14.519 4.612 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -0.607 -11.943 3.623 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -0.962 -10.949 5.040 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -3.250 -13.235 6.422 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -2.444 -11.674 6.609 1.00 0.00 H new ATOM 1252 N LYS A 77 4.001 -15.432 0.525 1.00 0.00 N ATOM 1253 CA LYS A 77 4.733 -16.102 -0.550 1.00 0.00 C ATOM 1254 C LYS A 77 6.220 -16.085 -0.186 1.00 0.00 C ATOM 1255 O LYS A 77 6.589 -15.468 0.813 1.00 0.00 O ATOM 1256 CB LYS A 77 4.467 -15.438 -1.924 1.00 0.00 C ATOM 1257 CG LYS A 77 4.890 -16.293 -3.097 1.00 0.00 C ATOM 1258 CD LYS A 77 4.814 -15.520 -4.406 1.00 0.00 C ATOM 1259 CE LYS A 77 5.120 -16.404 -5.602 1.00 0.00 C ATOM 1260 NZ LYS A 77 5.046 -15.649 -6.882 1.00 0.00 N ATOM 0 H LYS A 77 4.490 -14.632 0.928 1.00 0.00 H new ATOM 0 HA LYS A 77 4.390 -17.132 -0.648 1.00 0.00 H new ATOM 0 HB2 LYS A 77 3.404 -15.215 -2.011 1.00 0.00 H new ATOM 0 HB3 LYS A 77 4.997 -14.486 -1.968 1.00 0.00 H new ATOM 0 HG2 LYS A 77 5.909 -16.648 -2.941 1.00 0.00 H new ATOM 0 HG3 LYS A 77 4.251 -17.174 -3.156 1.00 0.00 H new ATOM 0 HD2 LYS A 77 3.818 -15.090 -4.517 1.00 0.00 H new ATOM 0 HD3 LYS A 77 5.519 -14.689 -4.379 1.00 0.00 H new ATOM 0 HE2 LYS A 77 6.116 -16.834 -5.491 1.00 0.00 H new ATOM 0 HE3 LYS A 77 4.415 -17.235 -5.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 5.261 -16.287 -7.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 4.089 -15.260 -7.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 5.736 -14.871 -6.867 1.00 0.00 H new ATOM 1274 N LYS A 78 7.059 -16.784 -0.948 1.00 0.00 N ATOM 1275 CA LYS A 78 8.485 -16.904 -0.618 1.00 0.00 C ATOM 1276 C LYS A 78 9.160 -15.542 -0.437 1.00 0.00 C ATOM 1277 O LYS A 78 9.912 -15.355 0.518 1.00 0.00 O ATOM 1278 CB LYS A 78 9.229 -17.701 -1.692 1.00 0.00 C ATOM 1279 CG LYS A 78 10.189 -18.728 -1.117 1.00 0.00 C ATOM 1280 CD LYS A 78 9.451 -19.839 -0.381 1.00 0.00 C ATOM 1281 CE LYS A 78 10.414 -20.817 0.273 1.00 0.00 C ATOM 1282 NZ LYS A 78 11.251 -21.537 -0.725 1.00 0.00 N ATOM 0 H LYS A 78 6.781 -17.276 -1.797 1.00 0.00 H new ATOM 0 HA LYS A 78 8.537 -17.434 0.333 1.00 0.00 H new ATOM 0 HB2 LYS A 78 8.503 -18.208 -2.328 1.00 0.00 H new ATOM 0 HB3 LYS A 78 9.783 -17.011 -2.329 1.00 0.00 H new ATOM 0 HG2 LYS A 78 10.786 -19.158 -1.921 1.00 0.00 H new ATOM 0 HG3 LYS A 78 10.882 -18.236 -0.434 1.00 0.00 H new ATOM 0 HD2 LYS A 78 8.803 -19.404 0.379 1.00 0.00 H new ATOM 0 HD3 LYS A 78 8.808 -20.374 -1.080 1.00 0.00 H new ATOM 0 HE2 LYS A 78 11.061 -20.279 0.966 1.00 0.00 H new ATOM 0 HE3 LYS A 78 9.850 -21.541 0.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 11.806 -22.275 -0.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 10.637 -21.976 -1.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 11.896 -20.865 -1.187 1.00 0.00 H new ATOM 1296 N ARG A 79 8.880 -14.611 -1.357 1.00 0.00 N ATOM 1297 CA ARG A 79 9.445 -13.249 -1.347 1.00 0.00 C ATOM 1298 C ARG A 79 10.941 -13.210 -1.005 1.00 0.00 C ATOM 1299 O ARG A 79 11.339 -13.020 0.142 1.00 0.00 O ATOM 1300 CB ARG A 79 8.620 -12.280 -0.458 1.00 0.00 C ATOM 1301 CG ARG A 79 8.133 -12.835 0.881 1.00 0.00 C ATOM 1302 CD ARG A 79 9.178 -12.721 1.977 1.00 0.00 C ATOM 1303 NE ARG A 79 8.729 -13.324 3.232 1.00 0.00 N ATOM 1304 CZ ARG A 79 9.299 -13.094 4.415 1.00 0.00 C ATOM 1305 NH1 ARG A 79 10.350 -12.287 4.510 1.00 0.00 N ATOM 1306 NH2 ARG A 79 8.824 -13.679 5.506 1.00 0.00 N ATOM 0 H ARG A 79 8.248 -14.780 -2.140 1.00 0.00 H new ATOM 0 HA ARG A 79 9.367 -12.892 -2.374 1.00 0.00 H new ATOM 0 HB2 ARG A 79 9.227 -11.396 -0.261 1.00 0.00 H new ATOM 0 HB3 ARG A 79 7.751 -11.950 -1.027 1.00 0.00 H new ATOM 0 HG2 ARG A 79 7.233 -12.301 1.186 1.00 0.00 H new ATOM 0 HG3 ARG A 79 7.855 -13.882 0.757 1.00 0.00 H new ATOM 0 HD2 ARG A 79 10.098 -13.206 1.651 1.00 0.00 H new ATOM 0 HD3 ARG A 79 9.414 -11.670 2.144 1.00 0.00 H new ATOM 0 HE ARG A 79 7.931 -13.959 3.200 1.00 0.00 H new ATOM 0 HH11 ARG A 79 10.726 -11.839 3.674 1.00 0.00 H new ATOM 0 HH12 ARG A 79 10.781 -12.116 5.418 1.00 0.00 H new ATOM 0 HH21 ARG A 79 8.022 -14.306 5.441 1.00 0.00 H new ATOM 0 HH22 ARG A 79 9.261 -13.502 6.411 1.00 0.00 H new ATOM 1320 N LYS A 80 11.772 -13.359 -2.029 1.00 0.00 N ATOM 1321 CA LYS A 80 13.219 -13.328 -1.859 1.00 0.00 C ATOM 1322 C LYS A 80 13.868 -12.591 -3.032 1.00 0.00 C ATOM 1323 O LYS A 80 14.490 -13.207 -3.900 1.00 0.00 O ATOM 1324 CB LYS A 80 13.797 -14.745 -1.728 1.00 0.00 C ATOM 1325 CG LYS A 80 13.322 -15.720 -2.795 1.00 0.00 C ATOM 1326 CD LYS A 80 14.214 -16.950 -2.865 1.00 0.00 C ATOM 1327 CE LYS A 80 14.289 -17.678 -1.532 1.00 0.00 C ATOM 1328 NZ LYS A 80 15.206 -18.847 -1.596 1.00 0.00 N ATOM 0 H LYS A 80 11.466 -13.503 -2.991 1.00 0.00 H new ATOM 0 HA LYS A 80 13.442 -12.793 -0.936 1.00 0.00 H new ATOM 0 HB2 LYS A 80 14.885 -14.685 -1.766 1.00 0.00 H new ATOM 0 HB3 LYS A 80 13.534 -15.142 -0.748 1.00 0.00 H new ATOM 0 HG2 LYS A 80 12.298 -16.024 -2.581 1.00 0.00 H new ATOM 0 HG3 LYS A 80 13.311 -15.222 -3.765 1.00 0.00 H new ATOM 0 HD2 LYS A 80 13.835 -17.630 -3.628 1.00 0.00 H new ATOM 0 HD3 LYS A 80 15.217 -16.653 -3.173 1.00 0.00 H new ATOM 0 HE2 LYS A 80 14.631 -16.989 -0.760 1.00 0.00 H new ATOM 0 HE3 LYS A 80 13.293 -18.012 -1.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 15.232 -19.319 -0.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 14.866 -19.516 -2.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 16.162 -18.525 -1.847 1.00 0.00 H new ATOM 1342 N PRO A 81 13.706 -11.258 -3.081 1.00 0.00 N ATOM 1343 CA PRO A 81 14.263 -10.439 -4.159 1.00 0.00 C ATOM 1344 C PRO A 81 15.787 -10.475 -4.174 1.00 0.00 C ATOM 1345 O PRO A 81 16.447 -9.828 -3.360 1.00 0.00 O ATOM 1346 CB PRO A 81 13.761 -9.022 -3.873 1.00 0.00 C ATOM 1347 CG PRO A 81 13.245 -9.032 -2.473 1.00 0.00 C ATOM 1348 CD PRO A 81 12.964 -10.462 -2.093 1.00 0.00 C ATOM 0 HA PRO A 81 13.951 -10.806 -5.137 1.00 0.00 H new ATOM 0 HB2 PRO A 81 14.565 -8.295 -3.985 1.00 0.00 H new ATOM 0 HB3 PRO A 81 12.976 -8.739 -4.574 1.00 0.00 H new ATOM 0 HG2 PRO A 81 13.976 -8.593 -1.794 1.00 0.00 H new ATOM 0 HG3 PRO A 81 12.338 -8.432 -2.396 1.00 0.00 H new ATOM 0 HD2 PRO A 81 13.299 -10.676 -1.078 1.00 0.00 H new ATOM 0 HD3 PRO A 81 11.897 -10.680 -2.129 1.00 0.00 H new ATOM 1356 N GLN A 82 16.339 -11.248 -5.098 1.00 0.00 N ATOM 1357 CA GLN A 82 17.783 -11.416 -5.201 1.00 0.00 C ATOM 1358 C GLN A 82 18.230 -11.188 -6.638 1.00 0.00 C ATOM 1359 O GLN A 82 19.365 -11.494 -7.009 1.00 0.00 O ATOM 1360 CB GLN A 82 18.186 -12.823 -4.750 1.00 0.00 C ATOM 1361 CG GLN A 82 17.710 -13.182 -3.351 1.00 0.00 C ATOM 1362 CD GLN A 82 17.887 -14.653 -3.038 1.00 0.00 C ATOM 1363 OE1 GLN A 82 17.868 -15.499 -3.933 1.00 0.00 O ATOM 1364 NE2 GLN A 82 18.049 -14.972 -1.766 1.00 0.00 N ATOM 0 H GLN A 82 15.806 -11.772 -5.792 1.00 0.00 H new ATOM 0 HA GLN A 82 18.268 -10.685 -4.554 1.00 0.00 H new ATOM 0 HB2 GLN A 82 17.785 -13.549 -5.457 1.00 0.00 H new ATOM 0 HB3 GLN A 82 19.272 -12.908 -4.787 1.00 0.00 H new ATOM 0 HG2 GLN A 82 18.260 -12.590 -2.620 1.00 0.00 H new ATOM 0 HG3 GLN A 82 16.658 -12.916 -3.249 1.00 0.00 H new ATOM 0 HE21 GLN A 82 18.059 -14.241 -1.054 1.00 0.00 H new ATOM 0 HE22 GLN A 82 18.164 -15.949 -1.496 1.00 0.00 H new ATOM 1373 N ALA A 83 17.321 -10.660 -7.444 1.00 0.00 N ATOM 1374 CA ALA A 83 17.585 -10.424 -8.853 1.00 0.00 C ATOM 1375 C ALA A 83 16.742 -9.265 -9.354 1.00 0.00 C ATOM 1376 O ALA A 83 17.272 -8.139 -9.446 1.00 0.00 O ATOM 1377 CB ALA A 83 17.299 -11.677 -9.665 1.00 0.00 C ATOM 1378 OXT ALA A 83 15.541 -9.475 -9.625 1.00 0.00 O ATOM 0 H ALA A 83 16.386 -10.385 -7.141 1.00 0.00 H new ATOM 0 HA ALA A 83 18.638 -10.170 -8.973 1.00 0.00 H new ATOM 0 HB1 ALA A 83 17.502 -11.482 -10.718 1.00 0.00 H new ATOM 0 HB2 ALA A 83 17.936 -12.490 -9.317 1.00 0.00 H new ATOM 0 HB3 ALA A 83 16.253 -11.959 -9.543 1.00 0.00 H new TER 1384 ALA A 83 ATOM 1385 N GLU B 201 -7.025 8.788 10.607 1.00 0.00 N ATOM 1386 CA GLU B 201 -5.898 8.795 11.569 1.00 0.00 C ATOM 1387 C GLU B 201 -4.901 7.678 11.267 1.00 0.00 C ATOM 1388 O GLU B 201 -4.300 7.115 12.183 1.00 0.00 O ATOM 1389 CB GLU B 201 -6.424 8.634 12.995 1.00 0.00 C ATOM 1390 CG GLU B 201 -7.344 9.756 13.444 1.00 0.00 C ATOM 1391 CD GLU B 201 -7.861 9.548 14.851 1.00 0.00 C ATOM 1392 OE1 GLU B 201 -7.136 9.887 15.810 1.00 0.00 O ATOM 1393 OE2 GLU B 201 -8.989 9.035 15.004 1.00 0.00 O ATOM 0 HA GLU B 201 -5.384 9.751 11.471 1.00 0.00 H new ATOM 0 HB2 GLU B 201 -6.959 7.687 13.069 1.00 0.00 H new ATOM 0 HB3 GLU B 201 -5.578 8.576 13.679 1.00 0.00 H new ATOM 0 HG2 GLU B 201 -6.809 10.704 13.393 1.00 0.00 H new ATOM 0 HG3 GLU B 201 -8.187 9.828 12.757 1.00 0.00 H new ATOM 1402 N ILE B 202 -4.723 7.354 9.990 1.00 0.00 N ATOM 1403 CA ILE B 202 -3.769 6.327 9.589 1.00 0.00 C ATOM 1404 C ILE B 202 -2.914 6.833 8.431 1.00 0.00 C ATOM 1405 O ILE B 202 -3.394 6.975 7.304 1.00 0.00 O ATOM 1406 CB ILE B 202 -4.463 5.003 9.179 1.00 0.00 C ATOM 1407 CG1 ILE B 202 -5.248 4.404 10.354 1.00 0.00 C ATOM 1408 CG2 ILE B 202 -3.435 3.996 8.670 1.00 0.00 C ATOM 1409 CD1 ILE B 202 -4.374 3.938 11.502 1.00 0.00 C ATOM 0 H ILE B 202 -5.227 7.788 9.216 1.00 0.00 H new ATOM 0 HA ILE B 202 -3.142 6.116 10.455 1.00 0.00 H new ATOM 0 HB ILE B 202 -5.165 5.229 8.377 1.00 0.00 H new ATOM 0 HG12 ILE B 202 -5.952 5.149 10.725 1.00 0.00 H new ATOM 0 HG13 ILE B 202 -5.837 3.561 9.993 1.00 0.00 H new ATOM 0 HG21 ILE B 202 -3.940 3.072 8.387 1.00 0.00 H new ATOM 0 HG22 ILE B 202 -2.920 4.409 7.803 1.00 0.00 H new ATOM 0 HG23 ILE B 202 -2.710 3.787 9.457 1.00 0.00 H new ATOM 0 HD11 ILE B 202 -5.001 3.527 12.293 1.00 0.00 H new ATOM 0 HD12 ILE B 202 -3.687 3.169 11.148 1.00 0.00 H new ATOM 0 HD13 ILE B 202 -3.804 4.782 11.891 1.00 0.00 H new ATOM 1421 N LYS B 203 -1.656 7.116 8.723 1.00 0.00 N ATOM 1422 CA LYS B 203 -0.734 7.649 7.729 1.00 0.00 C ATOM 1423 C LYS B 203 0.422 6.681 7.520 1.00 0.00 C ATOM 1424 O LYS B 203 0.936 6.112 8.482 1.00 0.00 O ATOM 1425 CB LYS B 203 -0.197 9.006 8.190 1.00 0.00 C ATOM 1426 CG LYS B 203 -1.282 10.040 8.453 1.00 0.00 C ATOM 1427 CD LYS B 203 -0.750 11.232 9.232 1.00 0.00 C ATOM 1428 CE LYS B 203 0.315 11.987 8.457 1.00 0.00 C ATOM 1429 NZ LYS B 203 0.867 13.120 9.244 1.00 0.00 N ATOM 0 H LYS B 203 -1.245 6.985 9.647 1.00 0.00 H new ATOM 0 HA LYS B 203 -1.266 7.777 6.786 1.00 0.00 H new ATOM 0 HB2 LYS B 203 0.386 8.865 9.100 1.00 0.00 H new ATOM 0 HB3 LYS B 203 0.484 9.393 7.432 1.00 0.00 H new ATOM 0 HG2 LYS B 203 -1.696 10.381 7.504 1.00 0.00 H new ATOM 0 HG3 LYS B 203 -2.098 9.577 9.009 1.00 0.00 H new ATOM 0 HD2 LYS B 203 -1.573 11.907 9.469 1.00 0.00 H new ATOM 0 HD3 LYS B 203 -0.335 10.890 10.180 1.00 0.00 H new ATOM 0 HE2 LYS B 203 1.121 11.305 8.187 1.00 0.00 H new ATOM 0 HE3 LYS B 203 -0.110 12.363 7.526 1.00 0.00 H new ATOM 0 HZ1 LYS B 203 1.591 13.612 8.683 1.00 0.00 H new ATOM 0 HZ2 LYS B 203 0.102 13.784 9.481 1.00 0.00 H new ATOM 0 HZ3 LYS B 203 1.295 12.758 10.120 1.00 0.00 H new ATOM 1443 N LEU B 204 0.827 6.487 6.275 1.00 0.00 N ATOM 1444 CA LEU B 204 1.943 5.596 5.979 1.00 0.00 C ATOM 1445 C LEU B 204 3.033 6.346 5.228 1.00 0.00 C ATOM 1446 O LEU B 204 2.919 6.594 4.026 1.00 0.00 O ATOM 1447 CB LEU B 204 1.490 4.391 5.142 1.00 0.00 C ATOM 1448 CG LEU B 204 2.149 3.044 5.497 1.00 0.00 C ATOM 1449 CD1 LEU B 204 1.822 1.994 4.445 1.00 0.00 C ATOM 1450 CD2 LEU B 204 3.660 3.169 5.654 1.00 0.00 C ATOM 0 H LEU B 204 0.406 6.929 5.458 1.00 0.00 H new ATOM 0 HA LEU B 204 2.334 5.233 6.930 1.00 0.00 H new ATOM 0 HB2 LEU B 204 0.410 4.285 5.247 1.00 0.00 H new ATOM 0 HB3 LEU B 204 1.689 4.606 4.092 1.00 0.00 H new ATOM 0 HG LEU B 204 1.740 2.732 6.458 1.00 0.00 H new ATOM 0 HD11 LEU B 204 2.296 1.050 4.713 1.00 0.00 H new ATOM 0 HD12 LEU B 204 0.742 1.856 4.393 1.00 0.00 H new ATOM 0 HD13 LEU B 204 2.193 2.323 3.475 1.00 0.00 H new ATOM 0 HD21 LEU B 204 4.082 2.195 5.904 1.00 0.00 H new ATOM 0 HD22 LEU B 204 4.095 3.524 4.719 1.00 0.00 H new ATOM 0 HD23 LEU B 204 3.886 3.878 6.451 1.00 0.00 H new ATOM 1462 N LYS B 205 4.080 6.710 5.942 1.00 0.00 N ATOM 1463 CA LYS B 205 5.249 7.305 5.322 1.00 0.00 C ATOM 1464 C LYS B 205 6.198 6.218 4.846 1.00 0.00 C ATOM 1465 O LYS B 205 7.192 5.928 5.512 1.00 0.00 O ATOM 1466 CB LYS B 205 5.988 8.215 6.306 1.00 0.00 C ATOM 1467 CG LYS B 205 5.376 9.592 6.476 1.00 0.00 C ATOM 1468 CD LYS B 205 5.404 10.378 5.177 1.00 0.00 C ATOM 1469 CE LYS B 205 5.237 11.865 5.423 1.00 0.00 C ATOM 1470 NZ LYS B 205 4.096 12.155 6.336 1.00 0.00 N ATOM 0 H LYS B 205 4.146 6.604 6.954 1.00 0.00 H new ATOM 0 HA LYS B 205 4.911 7.900 4.474 1.00 0.00 H new ATOM 0 HB2 LYS B 205 6.022 7.724 7.279 1.00 0.00 H new ATOM 0 HB3 LYS B 205 7.019 8.329 5.971 1.00 0.00 H new ATOM 0 HG2 LYS B 205 4.347 9.494 6.821 1.00 0.00 H new ATOM 0 HG3 LYS B 205 5.919 10.140 7.246 1.00 0.00 H new ATOM 0 HD2 LYS B 205 6.347 10.197 4.661 1.00 0.00 H new ATOM 0 HD3 LYS B 205 4.609 10.025 4.520 1.00 0.00 H new ATOM 0 HE2 LYS B 205 6.155 12.267 5.851 1.00 0.00 H new ATOM 0 HE3 LYS B 205 5.079 12.374 4.472 1.00 0.00 H new ATOM 0 HZ1 LYS B 205 3.899 13.176 6.332 1.00 0.00 H new ATOM 0 HZ2 LYS B 205 3.253 11.638 6.013 1.00 0.00 H new ATOM 0 HZ3 LYS B 205 4.339 11.854 7.301 1.00 0.00 H new ATOM 1484 N ILE B 206 5.899 5.596 3.715 1.00 0.00 N ATOM 1485 CA ILE B 206 6.798 4.576 3.204 1.00 0.00 C ATOM 1486 C ILE B 206 8.076 5.233 2.700 1.00 0.00 C ATOM 1487 O ILE B 206 8.042 6.008 1.741 1.00 0.00 O ATOM 1488 CB ILE B 206 6.234 3.727 2.045 1.00 0.00 C ATOM 1489 CG1 ILE B 206 4.731 3.505 2.116 1.00 0.00 C ATOM 1490 CG2 ILE B 206 6.900 2.376 2.090 1.00 0.00 C ATOM 1491 CD1 ILE B 206 4.175 2.836 0.873 1.00 0.00 C ATOM 0 H ILE B 206 5.068 5.772 3.150 1.00 0.00 H new ATOM 0 HA ILE B 206 6.965 3.903 4.045 1.00 0.00 H new ATOM 0 HB ILE B 206 6.435 4.275 1.124 1.00 0.00 H new ATOM 0 HG12 ILE B 206 4.500 2.892 2.987 1.00 0.00 H new ATOM 0 HG13 ILE B 206 4.233 4.464 2.260 1.00 0.00 H new ATOM 0 HG21 ILE B 206 6.518 1.755 1.280 1.00 0.00 H new ATOM 0 HG22 ILE B 206 7.977 2.498 1.978 1.00 0.00 H new ATOM 0 HG23 ILE B 206 6.687 1.897 3.046 1.00 0.00 H new ATOM 0 HD11 ILE B 206 3.099 2.704 0.982 1.00 0.00 H new ATOM 0 HD12 ILE B 206 4.378 3.460 0.002 1.00 0.00 H new ATOM 0 HD13 ILE B 206 4.649 1.863 0.741 1.00 0.00 H new ATOM 1503 N THR B 207 9.190 4.929 3.338 1.00 0.00 N ATOM 1504 CA THR B 207 10.472 5.465 2.923 1.00 0.00 C ATOM 1505 C THR B 207 11.252 4.434 2.110 1.00 0.00 C ATOM 1506 O THR B 207 11.660 3.397 2.635 1.00 0.00 O ATOM 1507 CB THR B 207 11.298 5.919 4.143 1.00 0.00 C ATOM 1508 OG1 THR B 207 11.209 4.938 5.186 1.00 0.00 O ATOM 1509 CG2 THR B 207 10.806 7.261 4.661 1.00 0.00 C ATOM 0 H THR B 207 9.233 4.311 4.149 1.00 0.00 H new ATOM 0 HA THR B 207 10.284 6.334 2.292 1.00 0.00 H new ATOM 0 HB THR B 207 12.337 6.027 3.831 1.00 0.00 H new ATOM 0 HG1 THR B 207 11.314 4.042 4.803 1.00 0.00 H new ATOM 0 HG21 THR B 207 11.404 7.560 5.522 1.00 0.00 H new ATOM 0 HG22 THR B 207 10.900 8.011 3.875 1.00 0.00 H new ATOM 0 HG23 THR B 207 9.761 7.175 4.958 1.00 0.00 H new ATOM 1517 N LYS B 208 11.429 4.713 0.820 1.00 0.00 N ATOM 1518 CA LYS B 208 12.146 3.806 -0.076 1.00 0.00 C ATOM 1519 C LYS B 208 12.349 4.450 -1.448 1.00 0.00 C ATOM 1520 O LYS B 208 12.187 5.659 -1.581 1.00 0.00 O ATOM 1521 CB LYS B 208 11.432 2.440 -0.197 1.00 0.00 C ATOM 1522 CG LYS B 208 10.201 2.392 -1.106 1.00 0.00 C ATOM 1523 CD LYS B 208 9.072 3.281 -0.622 1.00 0.00 C ATOM 1524 CE LYS B 208 9.100 4.612 -1.342 1.00 0.00 C ATOM 1525 NZ LYS B 208 8.069 5.544 -0.846 1.00 0.00 N ATOM 0 H LYS B 208 11.085 5.562 0.371 1.00 0.00 H new ATOM 0 HA LYS B 208 13.127 3.617 0.359 1.00 0.00 H new ATOM 0 HB2 LYS B 208 12.154 1.709 -0.561 1.00 0.00 H new ATOM 0 HB3 LYS B 208 11.132 2.122 0.801 1.00 0.00 H new ATOM 0 HG2 LYS B 208 10.488 2.694 -2.113 1.00 0.00 H new ATOM 0 HG3 LYS B 208 9.844 1.364 -1.171 1.00 0.00 H new ATOM 0 HD2 LYS B 208 8.115 2.789 -0.793 1.00 0.00 H new ATOM 0 HD3 LYS B 208 9.162 3.440 0.453 1.00 0.00 H new ATOM 0 HE2 LYS B 208 10.084 5.066 -1.222 1.00 0.00 H new ATOM 0 HE3 LYS B 208 8.953 4.447 -2.409 1.00 0.00 H new ATOM 0 HZ1 LYS B 208 7.956 6.327 -1.521 1.00 0.00 H new ATOM 0 HZ2 LYS B 208 7.165 5.040 -0.746 1.00 0.00 H new ATOM 0 HZ3 LYS B 208 8.359 5.922 0.078 1.00 0.00 H new ATOM 1539 N THR B 209 12.722 3.632 -2.441 1.00 0.00 N ATOM 1540 CA THR B 209 13.030 4.059 -3.825 1.00 0.00 C ATOM 1541 C THR B 209 14.266 4.960 -3.898 1.00 0.00 C ATOM 1542 O THR B 209 14.776 5.241 -4.983 1.00 0.00 O ATOM 1543 CB THR B 209 11.839 4.729 -4.574 1.00 0.00 C ATOM 1544 OG1 THR B 209 11.429 5.950 -3.948 1.00 0.00 O ATOM 1545 CG2 THR B 209 10.649 3.786 -4.660 1.00 0.00 C ATOM 0 H THR B 209 12.823 2.626 -2.307 1.00 0.00 H new ATOM 0 HA THR B 209 13.241 3.125 -4.345 1.00 0.00 H new ATOM 0 HB THR B 209 12.194 4.959 -5.578 1.00 0.00 H new ATOM 0 HG1 THR B 209 11.930 6.075 -3.115 1.00 0.00 H new ATOM 0 HG21 THR B 209 9.832 4.278 -5.187 1.00 0.00 H new ATOM 0 HG22 THR B 209 10.938 2.884 -5.200 1.00 0.00 H new ATOM 0 HG23 THR B 209 10.323 3.519 -3.655 1.00 0.00 H new ATOM 1553 N ILE B 210 14.746 5.403 -2.743 1.00 0.00 N ATOM 1554 CA ILE B 210 15.998 6.137 -2.662 1.00 0.00 C ATOM 1555 C ILE B 210 17.163 5.156 -2.778 1.00 0.00 C ATOM 1556 O ILE B 210 18.285 5.524 -3.127 1.00 0.00 O ATOM 1557 CB ILE B 210 16.087 6.942 -1.340 1.00 0.00 C ATOM 1558 CG1 ILE B 210 17.417 7.696 -1.247 1.00 0.00 C ATOM 1559 CG2 ILE B 210 15.901 6.025 -0.137 1.00 0.00 C ATOM 1560 CD1 ILE B 210 17.530 8.583 -0.025 1.00 0.00 C ATOM 0 H ILE B 210 14.282 5.264 -1.845 1.00 0.00 H new ATOM 0 HA ILE B 210 16.045 6.852 -3.483 1.00 0.00 H new ATOM 0 HB ILE B 210 15.282 7.677 -1.337 1.00 0.00 H new ATOM 0 HG12 ILE B 210 18.234 6.974 -1.238 1.00 0.00 H new ATOM 0 HG13 ILE B 210 17.541 8.307 -2.141 1.00 0.00 H new ATOM 0 HG21 ILE B 210 15.967 6.610 0.780 1.00 0.00 H new ATOM 0 HG22 ILE B 210 14.923 5.546 -0.192 1.00 0.00 H new ATOM 0 HG23 ILE B 210 16.679 5.262 -0.137 1.00 0.00 H new ATOM 0 HD11 ILE B 210 18.498 9.084 -0.027 1.00 0.00 H new ATOM 0 HD12 ILE B 210 16.735 9.329 -0.042 1.00 0.00 H new ATOM 0 HD13 ILE B 210 17.438 7.975 0.875 1.00 0.00 H new ATOM 1572 N GLN B 211 16.870 3.896 -2.495 1.00 0.00 N ATOM 1573 CA GLN B 211 17.833 2.825 -2.657 1.00 0.00 C ATOM 1574 C GLN B 211 17.297 1.807 -3.649 1.00 0.00 C ATOM 1575 O GLN B 211 16.083 1.657 -3.801 1.00 0.00 O ATOM 1576 CB GLN B 211 18.132 2.153 -1.316 1.00 0.00 C ATOM 1577 CG GLN B 211 18.866 3.050 -0.334 1.00 0.00 C ATOM 1578 CD GLN B 211 19.225 2.334 0.950 1.00 0.00 C ATOM 1579 OE1 GLN B 211 20.285 1.721 1.055 1.00 0.00 O ATOM 1580 NE2 GLN B 211 18.348 2.410 1.939 1.00 0.00 N ATOM 0 H GLN B 211 15.961 3.591 -2.148 1.00 0.00 H new ATOM 0 HA GLN B 211 18.764 3.245 -3.037 1.00 0.00 H new ATOM 0 HB2 GLN B 211 17.194 1.827 -0.866 1.00 0.00 H new ATOM 0 HB3 GLN B 211 18.729 1.258 -1.493 1.00 0.00 H new ATOM 0 HG2 GLN B 211 19.775 3.428 -0.802 1.00 0.00 H new ATOM 0 HG3 GLN B 211 18.244 3.915 -0.102 1.00 0.00 H new ATOM 0 HE21 GLN B 211 17.479 2.929 1.811 1.00 0.00 H new ATOM 0 HE22 GLN B 211 18.541 1.950 2.828 1.00 0.00 H new ATOM 1589 N ASN B 212 18.197 1.122 -4.328 1.00 0.00 N ATOM 1590 CA ASN B 212 17.812 0.133 -5.320 1.00 0.00 C ATOM 1591 C ASN B 212 18.055 -1.267 -4.785 1.00 0.00 C ATOM 1592 O ASN B 212 19.170 -1.794 -4.980 1.00 0.00 O ATOM 1593 CB ASN B 212 18.586 0.341 -6.624 1.00 0.00 C ATOM 1594 CG ASN B 212 18.216 1.633 -7.324 1.00 0.00 C ATOM 1595 OD1 ASN B 212 17.292 1.666 -8.139 1.00 0.00 O ATOM 1596 ND2 ASN B 212 18.935 2.701 -7.020 1.00 0.00 N ATOM 1597 OXT ASN B 212 17.139 -1.829 -4.161 1.00 0.00 O ATOM 0 H ASN B 212 19.204 1.232 -4.211 1.00 0.00 H new ATOM 0 HA ASN B 212 16.749 0.253 -5.529 1.00 0.00 H new ATOM 0 HB2 ASN B 212 19.655 0.341 -6.411 1.00 0.00 H new ATOM 0 HB3 ASN B 212 18.394 -0.498 -7.293 1.00 0.00 H new ATOM 0 HD21 ASN B 212 18.733 3.596 -7.466 1.00 0.00 H new ATOM 0 HD22 ASN B 212 19.691 2.630 -6.339 1.00 0.00 H new TER 1604 ASN B 212