USER MOD reduce.3.24.130724 H: found=0, std=0, add=770, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 768 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 61 SER OG : rot -90:sc= -3.01! USER MOD Set 1.2: A 94 GLN : amide:sc= -2.18! K(o=-5.2!,f=-4.4) USER MOD Set 2.1: A 32 SER OG : rot 140:sc= -2.51! USER MOD Set 2.2: A 55 GLN : amide:sc= -2.09! K(o=-4.6!,f=-3.2) USER MOD Single : A 1 MET CE :methyl 163:sc= -0.0365 (180deg=-0.347) USER MOD Single : A 1 MET N :NH3+ 170:sc= -0.311 (180deg=-0.562) USER MOD Single : A 2 SER OG : rot 180:sc= 0.174 USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 LYS NZ :NH3+ -175:sc= 1.22 (180deg=1.16) USER MOD Single : A 9 SER OG : rot -174:sc= 1.28 USER MOD Single : A 10 THR OG1 : rot -41:sc= 0.343 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ -169:sc= -0.0154 (180deg=-0.187) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -178:sc= 1.15 (180deg=1.06) USER MOD Single : A 25 LYS NZ :NH3+ 179:sc= 1.24 (180deg=1.17) USER MOD Single : A 29 GLN : amide:sc= -0.589 K(o=-0.59,f=-3.3!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HD1:sc= -0.952 K(o=-0.95,f=-1.7!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl -175:sc= -3.28 (180deg=-3.5) USER MOD Single : A 41 THR OG1 : rot -39:sc= 0.95 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 HIS : no HD1:sc= -0.404 X(o=-0.4,f=-0.013) USER MOD Single : A 45 LYS NZ :NH3+ -168:sc= 1.26 (180deg=1.14) USER MOD Single : A 46 LYS NZ :NH3+ 168:sc= 2.32 (180deg=2.21) USER MOD Single : A 48 LYS NZ :NH3+ 175:sc= 0.88 (180deg=0.676) USER MOD Single : A 50 SER OG : rot 89:sc= 1.22 USER MOD Single : A 51 TYR OH : rot 21:sc= -2.89! USER MOD Single : A 52 CYS SG : rot 80:sc= -3.84! USER MOD Single : A 53 GLN : amide:sc= -1.44! C(o=-1.4!,f=-5.4!) USER MOD Single : A 59 MET CE :methyl 165:sc= -0.0733 (180deg=-0.567) USER MOD Single : A 60 ASN : amide:sc= -1.76 K(o=-1.8,f=-3.1!) USER MOD Single : A 69 GLN : amide:sc= -2.58! C(o=-2.6!,f=-2.4!) USER MOD Single : A 74 ASN : amide:sc= -0.325 X(o=-0.33,f=0) USER MOD Single : A 75 HIS : no HD1:sc= -1.84! C(o=-1.8!,f=-3.5!) USER MOD Single : A 76 THR OG1 : rot -120:sc= -0.442 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl 156:sc= -0.807 (180deg=-1.8) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= 0.0578 K(o=0.058,f=-1.6) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.670 6.797 -13.775 1.00 0.00 N ATOM 2 CA MET A 1 14.048 5.700 -12.858 1.00 0.00 C ATOM 3 C MET A 1 15.468 5.877 -12.313 1.00 0.00 C ATOM 4 O MET A 1 16.026 4.960 -11.712 1.00 0.00 O ATOM 5 CB MET A 1 13.887 4.334 -13.555 1.00 0.00 C ATOM 6 CG MET A 1 14.511 4.244 -14.952 1.00 0.00 C ATOM 7 SD MET A 1 16.318 4.237 -14.941 1.00 0.00 S ATOM 8 CE MET A 1 16.650 2.632 -14.212 1.00 0.00 C ATOM 0 H1 MET A 1 12.777 6.559 -14.252 1.00 0.00 H new ATOM 0 H2 MET A 1 13.549 7.676 -13.233 1.00 0.00 H new ATOM 0 H3 MET A 1 14.418 6.929 -14.486 1.00 0.00 H new ATOM 0 HA MET A 1 13.371 5.734 -12.004 1.00 0.00 H new ATOM 0 HB2 MET A 1 14.333 3.566 -12.924 1.00 0.00 H new ATOM 0 HB3 MET A 1 12.824 4.105 -13.632 1.00 0.00 H new ATOM 0 HG2 MET A 1 14.156 3.337 -15.441 1.00 0.00 H new ATOM 0 HG3 MET A 1 14.163 5.086 -15.551 1.00 0.00 H new ATOM 0 HE1 MET A 1 17.684 2.350 -14.409 1.00 0.00 H new ATOM 0 HE2 MET A 1 16.486 2.680 -13.135 1.00 0.00 H new ATOM 0 HE3 MET A 1 15.982 1.889 -14.648 1.00 0.00 H new ATOM 18 N SER A 2 16.033 7.076 -12.522 1.00 0.00 N ATOM 19 CA SER A 2 17.385 7.438 -12.064 1.00 0.00 C ATOM 20 C SER A 2 17.680 6.871 -10.676 1.00 0.00 C ATOM 21 O SER A 2 18.538 6.010 -10.502 1.00 0.00 O ATOM 22 CB SER A 2 17.512 8.963 -12.051 1.00 0.00 C ATOM 23 OG SER A 2 16.381 9.558 -11.408 1.00 0.00 O ATOM 0 H SER A 2 15.560 7.830 -13.019 1.00 0.00 H new ATOM 0 HA SER A 2 18.113 7.007 -12.751 1.00 0.00 H new ATOM 0 HB2 SER A 2 18.426 9.253 -11.532 1.00 0.00 H new ATOM 0 HB3 SER A 2 17.594 9.335 -13.072 1.00 0.00 H new ATOM 0 HG SER A 2 16.480 10.533 -11.408 1.00 0.00 H new ATOM 29 N ASP A 3 16.968 7.359 -9.699 1.00 0.00 N ATOM 30 CA ASP A 3 17.085 6.871 -8.340 1.00 0.00 C ATOM 31 C ASP A 3 15.698 6.568 -7.799 1.00 0.00 C ATOM 32 O ASP A 3 15.525 6.032 -6.709 1.00 0.00 O ATOM 33 CB ASP A 3 17.781 7.924 -7.482 1.00 0.00 C ATOM 34 CG ASP A 3 17.954 7.508 -6.036 1.00 0.00 C ATOM 35 OD1 ASP A 3 18.696 6.542 -5.775 1.00 0.00 O ATOM 36 OD2 ASP A 3 17.360 8.155 -5.152 1.00 0.00 O ATOM 0 H ASP A 3 16.286 8.109 -9.816 1.00 0.00 H new ATOM 0 HA ASP A 3 17.679 5.957 -8.318 1.00 0.00 H new ATOM 0 HB2 ASP A 3 18.760 8.140 -7.909 1.00 0.00 H new ATOM 0 HB3 ASP A 3 17.206 8.849 -7.519 1.00 0.00 H new ATOM 41 N GLN A 4 14.700 6.878 -8.607 1.00 0.00 N ATOM 42 CA GLN A 4 13.308 6.733 -8.222 1.00 0.00 C ATOM 43 C GLN A 4 12.710 5.465 -8.797 1.00 0.00 C ATOM 44 O GLN A 4 11.503 5.373 -9.011 1.00 0.00 O ATOM 45 CB GLN A 4 12.530 7.929 -8.721 1.00 0.00 C ATOM 46 CG GLN A 4 13.170 9.241 -8.358 1.00 0.00 C ATOM 47 CD GLN A 4 12.547 10.396 -9.085 1.00 0.00 C ATOM 48 OE1 GLN A 4 11.623 11.040 -8.587 1.00 0.00 O ATOM 49 NE2 GLN A 4 13.023 10.644 -10.284 1.00 0.00 N ATOM 0 H GLN A 4 14.833 7.239 -9.552 1.00 0.00 H new ATOM 0 HA GLN A 4 13.253 6.672 -7.135 1.00 0.00 H new ATOM 0 HB2 GLN A 4 12.434 7.866 -9.805 1.00 0.00 H new ATOM 0 HB3 GLN A 4 11.521 7.897 -8.309 1.00 0.00 H new ATOM 0 HG2 GLN A 4 13.083 9.401 -7.283 1.00 0.00 H new ATOM 0 HG3 GLN A 4 14.234 9.200 -8.589 1.00 0.00 H new ATOM 0 HE21 GLN A 4 13.790 10.083 -10.654 1.00 0.00 H new ATOM 0 HE22 GLN A 4 12.626 11.398 -10.845 1.00 0.00 H new ATOM 58 N GLU A 5 13.546 4.487 -9.055 1.00 0.00 N ATOM 59 CA GLU A 5 13.066 3.226 -9.586 1.00 0.00 C ATOM 60 C GLU A 5 12.289 2.474 -8.511 1.00 0.00 C ATOM 61 O GLU A 5 12.564 2.616 -7.315 1.00 0.00 O ATOM 62 CB GLU A 5 14.226 2.372 -10.118 1.00 0.00 C ATOM 63 CG GLU A 5 15.168 1.852 -9.047 1.00 0.00 C ATOM 64 CD GLU A 5 16.341 1.096 -9.629 1.00 0.00 C ATOM 65 OE1 GLU A 5 16.158 -0.069 -10.046 1.00 0.00 O ATOM 66 OE2 GLU A 5 17.448 1.667 -9.685 1.00 0.00 O ATOM 0 H GLU A 5 14.554 4.535 -8.909 1.00 0.00 H new ATOM 0 HA GLU A 5 12.400 3.434 -10.423 1.00 0.00 H new ATOM 0 HB2 GLU A 5 13.815 1.524 -10.665 1.00 0.00 H new ATOM 0 HB3 GLU A 5 14.799 2.964 -10.832 1.00 0.00 H new ATOM 0 HG2 GLU A 5 15.537 2.689 -8.454 1.00 0.00 H new ATOM 0 HG3 GLU A 5 14.618 1.199 -8.369 1.00 0.00 H new ATOM 73 N ALA A 6 11.319 1.697 -8.926 1.00 0.00 N ATOM 74 CA ALA A 6 10.494 0.953 -8.000 1.00 0.00 C ATOM 75 C ALA A 6 11.163 -0.354 -7.627 1.00 0.00 C ATOM 76 O ALA A 6 11.629 -1.100 -8.496 1.00 0.00 O ATOM 77 CB ALA A 6 9.128 0.700 -8.606 1.00 0.00 C ATOM 0 H ALA A 6 11.078 1.561 -9.908 1.00 0.00 H new ATOM 0 HA ALA A 6 10.367 1.542 -7.092 1.00 0.00 H new ATOM 0 HB1 ALA A 6 8.515 0.139 -7.900 1.00 0.00 H new ATOM 0 HB2 ALA A 6 8.646 1.652 -8.828 1.00 0.00 H new ATOM 0 HB3 ALA A 6 9.239 0.126 -9.526 1.00 0.00 H new ATOM 83 N LYS A 7 11.208 -0.650 -6.342 1.00 0.00 N ATOM 84 CA LYS A 7 11.852 -1.859 -5.866 1.00 0.00 C ATOM 85 C LYS A 7 11.279 -2.295 -4.514 1.00 0.00 C ATOM 86 O LYS A 7 10.891 -1.461 -3.700 1.00 0.00 O ATOM 87 CB LYS A 7 13.388 -1.659 -5.793 1.00 0.00 C ATOM 88 CG LYS A 7 13.856 -0.550 -4.845 1.00 0.00 C ATOM 89 CD LYS A 7 14.002 -1.047 -3.409 1.00 0.00 C ATOM 90 CE LYS A 7 15.145 -2.042 -3.278 1.00 0.00 C ATOM 91 NZ LYS A 7 15.159 -2.700 -1.951 1.00 0.00 N ATOM 0 H LYS A 7 10.805 -0.068 -5.608 1.00 0.00 H new ATOM 0 HA LYS A 7 11.648 -2.660 -6.577 1.00 0.00 H new ATOM 0 HB2 LYS A 7 13.846 -2.598 -5.483 1.00 0.00 H new ATOM 0 HB3 LYS A 7 13.758 -1.439 -6.794 1.00 0.00 H new ATOM 0 HG2 LYS A 7 14.812 -0.157 -5.191 1.00 0.00 H new ATOM 0 HG3 LYS A 7 13.144 0.275 -4.872 1.00 0.00 H new ATOM 0 HD2 LYS A 7 14.177 -0.200 -2.746 1.00 0.00 H new ATOM 0 HD3 LYS A 7 13.072 -1.516 -3.088 1.00 0.00 H new ATOM 0 HE2 LYS A 7 15.057 -2.799 -4.057 1.00 0.00 H new ATOM 0 HE3 LYS A 7 16.093 -1.528 -3.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 16.001 -3.306 -1.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 15.183 -1.976 -1.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 14.303 -3.281 -1.842 1.00 0.00 H new ATOM 105 N PRO A 8 11.205 -3.614 -4.273 1.00 0.00 N ATOM 106 CA PRO A 8 10.681 -4.160 -3.019 1.00 0.00 C ATOM 107 C PRO A 8 11.701 -4.106 -1.877 1.00 0.00 C ATOM 108 O PRO A 8 12.899 -4.364 -2.074 1.00 0.00 O ATOM 109 CB PRO A 8 10.377 -5.614 -3.381 1.00 0.00 C ATOM 110 CG PRO A 8 11.355 -5.951 -4.452 1.00 0.00 C ATOM 111 CD PRO A 8 11.607 -4.677 -5.217 1.00 0.00 C ATOM 0 HA PRO A 8 9.822 -3.595 -2.657 1.00 0.00 H new ATOM 0 HB2 PRO A 8 10.494 -6.269 -2.518 1.00 0.00 H new ATOM 0 HB3 PRO A 8 9.351 -5.728 -3.732 1.00 0.00 H new ATOM 0 HG2 PRO A 8 12.281 -6.337 -4.025 1.00 0.00 H new ATOM 0 HG3 PRO A 8 10.960 -6.726 -5.109 1.00 0.00 H new ATOM 0 HD2 PRO A 8 12.655 -4.583 -5.503 1.00 0.00 H new ATOM 0 HD3 PRO A 8 11.021 -4.639 -6.135 1.00 0.00 H new ATOM 119 N SER A 9 11.248 -3.735 -0.690 1.00 0.00 N ATOM 120 CA SER A 9 12.099 -3.717 0.485 1.00 0.00 C ATOM 121 C SER A 9 12.305 -5.137 1.041 1.00 0.00 C ATOM 122 O SER A 9 11.703 -6.105 0.564 1.00 0.00 O ATOM 123 CB SER A 9 11.468 -2.817 1.551 1.00 0.00 C ATOM 124 OG SER A 9 10.123 -3.193 1.787 1.00 0.00 O ATOM 0 H SER A 9 10.287 -3.440 -0.516 1.00 0.00 H new ATOM 0 HA SER A 9 13.076 -3.324 0.205 1.00 0.00 H new ATOM 0 HB2 SER A 9 12.039 -2.886 2.477 1.00 0.00 H new ATOM 0 HB3 SER A 9 11.509 -1.777 1.228 1.00 0.00 H new ATOM 0 HG SER A 9 9.704 -2.547 2.394 1.00 0.00 H new ATOM 130 N THR A 10 13.163 -5.258 2.043 1.00 0.00 N ATOM 131 CA THR A 10 13.433 -6.540 2.680 1.00 0.00 C ATOM 132 C THR A 10 13.090 -6.450 4.171 1.00 0.00 C ATOM 133 O THR A 10 13.533 -7.251 4.999 1.00 0.00 O ATOM 134 CB THR A 10 14.922 -6.944 2.485 1.00 0.00 C ATOM 135 OG1 THR A 10 15.146 -8.295 2.917 1.00 0.00 O ATOM 136 CG2 THR A 10 15.856 -6.004 3.243 1.00 0.00 C ATOM 0 H THR A 10 13.689 -4.477 2.436 1.00 0.00 H new ATOM 0 HA THR A 10 12.813 -7.307 2.216 1.00 0.00 H new ATOM 0 HB THR A 10 15.141 -6.869 1.420 1.00 0.00 H new ATOM 0 HG1 THR A 10 14.652 -8.459 3.748 1.00 0.00 H new ATOM 0 HG21 THR A 10 16.889 -6.313 3.086 1.00 0.00 H new ATOM 0 HG22 THR A 10 15.723 -4.986 2.877 1.00 0.00 H new ATOM 0 HG23 THR A 10 15.624 -6.041 4.307 1.00 0.00 H new ATOM 144 N GLU A 11 12.272 -5.479 4.499 1.00 0.00 N ATOM 145 CA GLU A 11 11.881 -5.225 5.875 1.00 0.00 C ATOM 146 C GLU A 11 10.514 -5.793 6.188 1.00 0.00 C ATOM 147 O GLU A 11 9.758 -6.174 5.296 1.00 0.00 O ATOM 148 CB GLU A 11 11.884 -3.731 6.144 1.00 0.00 C ATOM 149 CG GLU A 11 13.262 -3.127 6.152 1.00 0.00 C ATOM 150 CD GLU A 11 13.234 -1.627 6.007 1.00 0.00 C ATOM 151 OE1 GLU A 11 13.212 -1.141 4.851 1.00 0.00 O ATOM 152 OE2 GLU A 11 13.225 -0.927 7.037 1.00 0.00 O ATOM 0 H GLU A 11 11.855 -4.839 3.823 1.00 0.00 H new ATOM 0 HA GLU A 11 12.605 -5.722 6.520 1.00 0.00 H new ATOM 0 HB2 GLU A 11 11.281 -3.232 5.385 1.00 0.00 H new ATOM 0 HB3 GLU A 11 11.407 -3.542 7.106 1.00 0.00 H new ATOM 0 HG2 GLU A 11 13.765 -3.390 7.082 1.00 0.00 H new ATOM 0 HG3 GLU A 11 13.849 -3.557 5.340 1.00 0.00 H new ATOM 159 N ASP A 12 10.205 -5.856 7.467 1.00 0.00 N ATOM 160 CA ASP A 12 8.903 -6.329 7.933 1.00 0.00 C ATOM 161 C ASP A 12 8.211 -5.218 8.724 1.00 0.00 C ATOM 162 O ASP A 12 7.154 -5.406 9.321 1.00 0.00 O ATOM 163 CB ASP A 12 9.073 -7.584 8.806 1.00 0.00 C ATOM 164 CG ASP A 12 7.753 -8.262 9.146 1.00 0.00 C ATOM 165 OD1 ASP A 12 7.205 -8.980 8.280 1.00 0.00 O ATOM 166 OD2 ASP A 12 7.265 -8.092 10.286 1.00 0.00 O ATOM 0 H ASP A 12 10.842 -5.584 8.216 1.00 0.00 H new ATOM 0 HA ASP A 12 8.287 -6.592 7.073 1.00 0.00 H new ATOM 0 HB2 ASP A 12 9.716 -8.295 8.287 1.00 0.00 H new ATOM 0 HB3 ASP A 12 9.582 -7.310 9.730 1.00 0.00 H new ATOM 171 N LEU A 13 8.802 -4.039 8.694 1.00 0.00 N ATOM 172 CA LEU A 13 8.283 -2.902 9.437 1.00 0.00 C ATOM 173 C LEU A 13 8.514 -1.633 8.704 1.00 0.00 C ATOM 174 O LEU A 13 9.181 -0.704 9.165 1.00 0.00 O ATOM 175 CB LEU A 13 8.888 -2.818 10.774 1.00 0.00 C ATOM 176 CG LEU A 13 10.401 -2.753 10.805 1.00 0.00 C ATOM 177 CD1 LEU A 13 10.844 -1.750 11.826 1.00 0.00 C ATOM 178 CD2 LEU A 13 10.979 -4.117 11.092 1.00 0.00 C ATOM 0 H LEU A 13 9.648 -3.841 8.160 1.00 0.00 H new ATOM 0 HA LEU A 13 7.209 -3.054 9.548 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.494 -1.935 11.277 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.567 -3.684 11.353 1.00 0.00 H new ATOM 0 HG LEU A 13 10.768 -2.435 9.829 1.00 0.00 H new ATOM 0 HD11 LEU A 13 11.933 -1.707 11.845 1.00 0.00 H new ATOM 0 HD12 LEU A 13 10.446 -0.768 11.568 1.00 0.00 H new ATOM 0 HD13 LEU A 13 10.476 -2.044 12.809 1.00 0.00 H new ATOM 0 HD21 LEU A 13 12.067 -4.054 11.111 1.00 0.00 H new ATOM 0 HD22 LEU A 13 10.619 -4.469 12.059 1.00 0.00 H new ATOM 0 HD23 LEU A 13 10.669 -4.814 10.314 1.00 0.00 H new ATOM 190 N GLY A 14 7.965 -1.600 7.588 1.00 0.00 N ATOM 191 CA GLY A 14 8.066 -0.451 6.721 1.00 0.00 C ATOM 192 C GLY A 14 7.153 0.696 7.140 1.00 0.00 C ATOM 193 O GLY A 14 6.660 1.447 6.309 1.00 0.00 O ATOM 0 H GLY A 14 7.411 -2.366 7.205 1.00 0.00 H new ATOM 0 HA2 GLY A 14 9.098 -0.101 6.711 1.00 0.00 H new ATOM 0 HA3 GLY A 14 7.820 -0.749 5.702 1.00 0.00 H new ATOM 197 N ASP A 15 6.915 0.822 8.431 1.00 0.00 N ATOM 198 CA ASP A 15 6.082 1.886 8.950 1.00 0.00 C ATOM 199 C ASP A 15 6.894 2.851 9.798 1.00 0.00 C ATOM 200 O ASP A 15 7.616 2.448 10.712 1.00 0.00 O ATOM 201 CB ASP A 15 4.924 1.318 9.761 1.00 0.00 C ATOM 202 CG ASP A 15 4.061 2.402 10.363 1.00 0.00 C ATOM 203 OD1 ASP A 15 3.559 3.263 9.603 1.00 0.00 O ATOM 204 OD2 ASP A 15 3.884 2.404 11.599 1.00 0.00 O ATOM 0 H ASP A 15 7.290 0.195 9.143 1.00 0.00 H new ATOM 0 HA ASP A 15 5.676 2.435 8.100 1.00 0.00 H new ATOM 0 HB2 ASP A 15 4.312 0.683 9.121 1.00 0.00 H new ATOM 0 HB3 ASP A 15 5.316 0.685 10.557 1.00 0.00 H new ATOM 209 N LYS A 16 6.776 4.125 9.494 1.00 0.00 N ATOM 210 CA LYS A 16 7.488 5.168 10.212 1.00 0.00 C ATOM 211 C LYS A 16 6.503 5.945 11.082 1.00 0.00 C ATOM 212 O LYS A 16 5.294 5.726 10.998 1.00 0.00 O ATOM 213 CB LYS A 16 8.147 6.126 9.211 1.00 0.00 C ATOM 214 CG LYS A 16 8.997 5.437 8.145 1.00 0.00 C ATOM 215 CD LYS A 16 10.348 5.000 8.686 1.00 0.00 C ATOM 216 CE LYS A 16 11.261 6.194 8.923 1.00 0.00 C ATOM 217 NZ LYS A 16 12.589 5.787 9.448 1.00 0.00 N ATOM 0 H LYS A 16 6.183 4.471 8.740 1.00 0.00 H new ATOM 0 HA LYS A 16 8.256 4.716 10.840 1.00 0.00 H new ATOM 0 HB2 LYS A 16 7.369 6.708 8.718 1.00 0.00 H new ATOM 0 HB3 LYS A 16 8.773 6.830 9.759 1.00 0.00 H new ATOM 0 HG2 LYS A 16 8.462 4.568 7.761 1.00 0.00 H new ATOM 0 HG3 LYS A 16 9.146 6.116 7.305 1.00 0.00 H new ATOM 0 HD2 LYS A 16 10.209 4.455 9.620 1.00 0.00 H new ATOM 0 HD3 LYS A 16 10.819 4.313 7.983 1.00 0.00 H new ATOM 0 HE2 LYS A 16 11.393 6.740 7.989 1.00 0.00 H new ATOM 0 HE3 LYS A 16 10.787 6.878 9.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 13.178 6.631 9.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 12.467 5.289 10.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 13.054 5.155 8.765 1.00 0.00 H new ATOM 231 N LYS A 17 7.011 6.845 11.924 1.00 0.00 N ATOM 232 CA LYS A 17 6.163 7.686 12.749 1.00 0.00 C ATOM 233 C LYS A 17 5.289 8.552 11.854 1.00 0.00 C ATOM 234 O LYS A 17 5.694 8.923 10.744 1.00 0.00 O ATOM 235 CB LYS A 17 7.031 8.562 13.647 1.00 0.00 C ATOM 236 CG LYS A 17 6.335 9.065 14.895 1.00 0.00 C ATOM 237 CD LYS A 17 5.577 10.373 14.667 1.00 0.00 C ATOM 238 CE LYS A 17 6.511 11.535 14.333 1.00 0.00 C ATOM 239 NZ LYS A 17 7.467 11.822 15.434 1.00 0.00 N ATOM 0 H LYS A 17 8.011 7.006 12.048 1.00 0.00 H new ATOM 0 HA LYS A 17 5.524 7.064 13.376 1.00 0.00 H new ATOM 0 HB2 LYS A 17 7.914 7.995 13.942 1.00 0.00 H new ATOM 0 HB3 LYS A 17 7.380 9.419 13.070 1.00 0.00 H new ATOM 0 HG2 LYS A 17 5.639 8.304 15.248 1.00 0.00 H new ATOM 0 HG3 LYS A 17 7.074 9.212 15.683 1.00 0.00 H new ATOM 0 HD2 LYS A 17 4.863 10.239 13.855 1.00 0.00 H new ATOM 0 HD3 LYS A 17 5.002 10.617 15.560 1.00 0.00 H new ATOM 0 HE2 LYS A 17 7.066 11.303 13.424 1.00 0.00 H new ATOM 0 HE3 LYS A 17 5.919 12.427 14.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 7.950 12.724 15.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 6.951 11.886 16.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 8.170 11.058 15.491 1.00 0.00 H new ATOM 253 N GLU A 18 4.108 8.902 12.321 1.00 0.00 N ATOM 254 CA GLU A 18 3.180 9.652 11.502 1.00 0.00 C ATOM 255 C GLU A 18 2.512 10.775 12.289 1.00 0.00 C ATOM 256 O GLU A 18 3.182 11.670 12.809 1.00 0.00 O ATOM 257 CB GLU A 18 2.134 8.721 10.880 1.00 0.00 C ATOM 258 CG GLU A 18 2.740 7.587 10.082 1.00 0.00 C ATOM 259 CD GLU A 18 1.734 6.858 9.232 1.00 0.00 C ATOM 260 OE1 GLU A 18 0.800 6.259 9.796 1.00 0.00 O ATOM 261 OE2 GLU A 18 1.892 6.867 7.989 1.00 0.00 O ATOM 0 H GLU A 18 3.770 8.681 13.258 1.00 0.00 H new ATOM 0 HA GLU A 18 3.751 10.116 10.697 1.00 0.00 H new ATOM 0 HB2 GLU A 18 1.511 8.306 11.672 1.00 0.00 H new ATOM 0 HB3 GLU A 18 1.480 9.303 10.231 1.00 0.00 H new ATOM 0 HG2 GLU A 18 3.529 7.982 9.442 1.00 0.00 H new ATOM 0 HG3 GLU A 18 3.209 6.880 10.766 1.00 0.00 H new ATOM 268 N GLY A 19 1.200 10.723 12.389 1.00 0.00 N ATOM 269 CA GLY A 19 0.450 11.775 13.041 1.00 0.00 C ATOM 270 C GLY A 19 -0.146 12.689 12.005 1.00 0.00 C ATOM 271 O GLY A 19 0.594 13.295 11.224 1.00 0.00 O ATOM 0 H GLY A 19 0.629 9.960 12.025 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -0.339 11.344 13.657 1.00 0.00 H new ATOM 0 HA3 GLY A 19 1.102 12.340 13.707 1.00 0.00 H new ATOM 275 N GLU A 20 -1.489 12.770 11.954 1.00 0.00 N ATOM 276 CA GLU A 20 -2.206 13.550 10.939 1.00 0.00 C ATOM 277 C GLU A 20 -2.169 12.776 9.639 1.00 0.00 C ATOM 278 O GLU A 20 -1.727 13.267 8.603 1.00 0.00 O ATOM 279 CB GLU A 20 -1.629 14.970 10.763 1.00 0.00 C ATOM 280 CG GLU A 20 -1.618 15.798 12.042 1.00 0.00 C ATOM 281 CD GLU A 20 -2.987 15.925 12.662 1.00 0.00 C ATOM 282 OE1 GLU A 20 -3.783 16.758 12.186 1.00 0.00 O ATOM 283 OE2 GLU A 20 -3.273 15.196 13.639 1.00 0.00 O ATOM 0 H GLU A 20 -2.103 12.296 12.616 1.00 0.00 H new ATOM 0 HA GLU A 20 -3.236 13.692 11.266 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.610 14.892 10.384 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -2.211 15.496 10.007 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -0.939 15.340 12.761 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -1.228 16.792 11.824 1.00 0.00 H new ATOM 290 N TYR A 21 -2.631 11.535 9.712 1.00 0.00 N ATOM 291 CA TYR A 21 -2.576 10.618 8.589 1.00 0.00 C ATOM 292 C TYR A 21 -3.956 10.141 8.158 1.00 0.00 C ATOM 293 O TYR A 21 -4.978 10.474 8.762 1.00 0.00 O ATOM 294 CB TYR A 21 -1.701 9.407 8.944 1.00 0.00 C ATOM 295 CG TYR A 21 -2.100 8.714 10.231 1.00 0.00 C ATOM 296 CD1 TYR A 21 -1.552 9.105 11.438 1.00 0.00 C ATOM 297 CD2 TYR A 21 -3.022 7.675 10.235 1.00 0.00 C ATOM 298 CE1 TYR A 21 -1.903 8.488 12.616 1.00 0.00 C ATOM 299 CE2 TYR A 21 -3.381 7.049 11.414 1.00 0.00 C ATOM 300 CZ TYR A 21 -2.816 7.461 12.602 1.00 0.00 C ATOM 301 OH TYR A 21 -3.166 6.845 13.781 1.00 0.00 O ATOM 0 H TYR A 21 -3.053 11.139 10.552 1.00 0.00 H new ATOM 0 HA TYR A 21 -2.141 11.163 7.751 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -1.746 8.687 8.127 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -0.664 9.732 9.025 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -0.834 9.911 11.457 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -3.464 7.352 9.304 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -1.463 8.809 13.548 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -4.099 6.243 11.404 1.00 0.00 H new ATOM 0 HH TYR A 21 -3.823 6.140 13.600 1.00 0.00 H new ATOM 311 N ILE A 22 -3.965 9.359 7.104 1.00 0.00 N ATOM 312 CA ILE A 22 -5.177 8.791 6.566 1.00 0.00 C ATOM 313 C ILE A 22 -5.110 7.267 6.587 1.00 0.00 C ATOM 314 O ILE A 22 -4.079 6.678 6.900 1.00 0.00 O ATOM 315 CB ILE A 22 -5.462 9.281 5.126 1.00 0.00 C ATOM 316 CG1 ILE A 22 -4.441 8.706 4.153 1.00 0.00 C ATOM 317 CG2 ILE A 22 -5.463 10.807 5.069 1.00 0.00 C ATOM 318 CD1 ILE A 22 -4.639 9.147 2.718 1.00 0.00 C ATOM 0 H ILE A 22 -3.123 9.097 6.592 1.00 0.00 H new ATOM 0 HA ILE A 22 -5.995 9.128 7.202 1.00 0.00 H new ATOM 0 HB ILE A 22 -6.450 8.928 4.832 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -3.442 8.997 4.477 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -4.486 7.618 4.197 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -5.665 11.133 4.049 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -6.235 11.195 5.734 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -4.490 11.184 5.384 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -3.872 8.695 2.089 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -5.624 8.832 2.373 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -4.564 10.233 2.657 1.00 0.00 H new ATOM 330 N LYS A 23 -6.210 6.631 6.275 1.00 0.00 N ATOM 331 CA LYS A 23 -6.278 5.177 6.269 1.00 0.00 C ATOM 332 C LYS A 23 -6.678 4.718 4.892 1.00 0.00 C ATOM 333 O LYS A 23 -7.457 5.380 4.232 1.00 0.00 O ATOM 334 CB LYS A 23 -7.320 4.646 7.285 1.00 0.00 C ATOM 335 CG LYS A 23 -7.327 5.327 8.661 1.00 0.00 C ATOM 336 CD LYS A 23 -8.002 6.706 8.628 1.00 0.00 C ATOM 337 CE LYS A 23 -9.433 6.638 8.091 1.00 0.00 C ATOM 338 NZ LYS A 23 -10.317 5.793 8.931 1.00 0.00 N ATOM 0 H LYS A 23 -7.082 7.094 6.019 1.00 0.00 H new ATOM 0 HA LYS A 23 -5.298 4.791 6.549 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -8.312 4.750 6.845 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -7.146 3.580 7.430 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -7.845 4.689 9.377 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -6.302 5.436 9.015 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -8.013 7.127 9.633 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -7.414 7.381 8.006 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -9.845 7.646 8.036 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -9.418 6.244 7.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -11.265 5.753 8.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -9.924 4.832 8.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -10.383 6.201 9.885 1.00 0.00 H new ATOM 352 N LEU A 24 -6.139 3.619 4.436 1.00 0.00 N ATOM 353 CA LEU A 24 -6.522 3.094 3.135 1.00 0.00 C ATOM 354 C LEU A 24 -6.688 1.590 3.179 1.00 0.00 C ATOM 355 O LEU A 24 -6.273 0.924 4.141 1.00 0.00 O ATOM 356 CB LEU A 24 -5.521 3.488 2.036 1.00 0.00 C ATOM 357 CG LEU A 24 -5.423 4.979 1.701 1.00 0.00 C ATOM 358 CD1 LEU A 24 -4.377 5.644 2.564 1.00 0.00 C ATOM 359 CD2 LEU A 24 -5.111 5.186 0.230 1.00 0.00 C ATOM 0 H LEU A 24 -5.439 3.068 4.934 1.00 0.00 H new ATOM 0 HA LEU A 24 -7.483 3.544 2.885 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.532 3.140 2.335 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.786 2.951 1.125 1.00 0.00 H new ATOM 0 HG LEU A 24 -6.389 5.439 1.908 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -4.319 6.703 2.314 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -4.647 5.533 3.614 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.409 5.176 2.387 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -5.047 6.253 0.018 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -4.160 4.710 -0.011 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.902 4.743 -0.375 1.00 0.00 H new ATOM 371 N LYS A 25 -7.292 1.049 2.142 1.00 0.00 N ATOM 372 CA LYS A 25 -7.519 -0.373 2.052 1.00 0.00 C ATOM 373 C LYS A 25 -7.137 -0.886 0.678 1.00 0.00 C ATOM 374 O LYS A 25 -7.312 -0.205 -0.328 1.00 0.00 O ATOM 375 CB LYS A 25 -8.986 -0.703 2.380 1.00 0.00 C ATOM 376 CG LYS A 25 -9.297 -2.199 2.452 1.00 0.00 C ATOM 377 CD LYS A 25 -9.819 -2.747 1.132 1.00 0.00 C ATOM 378 CE LYS A 25 -11.201 -2.203 0.790 1.00 0.00 C ATOM 379 NZ LYS A 25 -12.270 -2.796 1.633 1.00 0.00 N ATOM 0 H LYS A 25 -7.637 1.581 1.343 1.00 0.00 H new ATOM 0 HA LYS A 25 -6.888 -0.875 2.785 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -9.244 -0.244 3.335 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -9.626 -0.247 1.624 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -8.395 -2.741 2.736 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -10.036 -2.377 3.234 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -9.122 -2.492 0.334 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -9.861 -3.835 1.183 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -11.203 -1.120 0.915 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -11.417 -2.403 -0.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -13.188 -2.381 1.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -12.300 -3.825 1.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -12.072 -2.598 2.635 1.00 0.00 H new ATOM 393 N VAL A 26 -6.599 -2.079 0.637 1.00 0.00 N ATOM 394 CA VAL A 26 -6.185 -2.691 -0.612 1.00 0.00 C ATOM 395 C VAL A 26 -7.010 -3.932 -0.901 1.00 0.00 C ATOM 396 O VAL A 26 -7.358 -4.678 0.010 1.00 0.00 O ATOM 397 CB VAL A 26 -4.656 -3.039 -0.590 1.00 0.00 C ATOM 398 CG1 VAL A 26 -4.362 -4.384 -1.252 1.00 0.00 C ATOM 399 CG2 VAL A 26 -3.861 -1.939 -1.280 1.00 0.00 C ATOM 0 H VAL A 26 -6.434 -2.656 1.462 1.00 0.00 H new ATOM 0 HA VAL A 26 -6.356 -1.970 -1.411 1.00 0.00 H new ATOM 0 HB VAL A 26 -4.354 -3.113 0.455 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.291 -4.582 -1.213 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -4.897 -5.174 -0.724 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -4.688 -4.357 -2.292 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.800 -2.189 -1.260 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -4.192 -1.845 -2.314 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -4.021 -0.994 -0.761 1.00 0.00 H new ATOM 409 N ILE A 27 -7.349 -4.136 -2.164 1.00 0.00 N ATOM 410 CA ILE A 27 -8.060 -5.331 -2.583 1.00 0.00 C ATOM 411 C ILE A 27 -7.127 -6.165 -3.421 1.00 0.00 C ATOM 412 O ILE A 27 -6.890 -5.852 -4.593 1.00 0.00 O ATOM 413 CB ILE A 27 -9.318 -5.012 -3.432 1.00 0.00 C ATOM 414 CG1 ILE A 27 -10.318 -4.163 -2.644 1.00 0.00 C ATOM 415 CG2 ILE A 27 -9.978 -6.310 -3.905 1.00 0.00 C ATOM 416 CD1 ILE A 27 -10.936 -4.885 -1.471 1.00 0.00 C ATOM 0 H ILE A 27 -7.141 -3.484 -2.920 1.00 0.00 H new ATOM 0 HA ILE A 27 -8.388 -5.854 -1.685 1.00 0.00 H new ATOM 0 HB ILE A 27 -9.002 -4.436 -4.302 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -9.814 -3.266 -2.283 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -11.111 -3.835 -3.316 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -10.860 -6.074 -4.500 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -9.272 -6.877 -4.512 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -10.272 -6.905 -3.040 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -11.634 -4.220 -0.961 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -11.469 -5.767 -1.826 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -10.152 -5.190 -0.777 1.00 0.00 H new ATOM 428 N GLY A 28 -6.527 -7.184 -2.835 1.00 0.00 N ATOM 429 CA GLY A 28 -5.639 -8.007 -3.588 1.00 0.00 C ATOM 430 C GLY A 28 -6.325 -8.890 -4.587 1.00 0.00 C ATOM 431 O GLY A 28 -7.548 -9.011 -4.616 1.00 0.00 O ATOM 0 H GLY A 28 -6.644 -7.448 -1.857 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -4.925 -7.370 -4.111 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -5.066 -8.630 -2.901 1.00 0.00 H new ATOM 435 N GLN A 29 -5.518 -9.534 -5.389 1.00 0.00 N ATOM 436 CA GLN A 29 -5.973 -10.452 -6.427 1.00 0.00 C ATOM 437 C GLN A 29 -6.639 -11.686 -5.814 1.00 0.00 C ATOM 438 O GLN A 29 -7.366 -12.420 -6.476 1.00 0.00 O ATOM 439 CB GLN A 29 -4.783 -10.849 -7.329 1.00 0.00 C ATOM 440 CG GLN A 29 -3.429 -10.768 -6.620 1.00 0.00 C ATOM 441 CD GLN A 29 -3.357 -11.666 -5.406 1.00 0.00 C ATOM 442 OE1 GLN A 29 -3.811 -12.806 -5.433 1.00 0.00 O ATOM 443 NE2 GLN A 29 -2.862 -11.128 -4.310 1.00 0.00 N ATOM 0 H GLN A 29 -4.503 -9.440 -5.346 1.00 0.00 H new ATOM 0 HA GLN A 29 -6.722 -9.950 -7.039 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -4.935 -11.866 -7.691 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -4.766 -10.198 -8.203 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -2.639 -11.043 -7.319 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -3.242 -9.738 -6.318 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -2.494 -10.177 -4.330 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -2.847 -11.663 -3.441 1.00 0.00 H new ATOM 452 N ASP A 30 -6.366 -11.905 -4.539 1.00 0.00 N ATOM 453 CA ASP A 30 -6.931 -13.011 -3.781 1.00 0.00 C ATOM 454 C ASP A 30 -8.095 -12.503 -2.936 1.00 0.00 C ATOM 455 O ASP A 30 -8.629 -13.213 -2.089 1.00 0.00 O ATOM 456 CB ASP A 30 -5.823 -13.600 -2.878 1.00 0.00 C ATOM 457 CG ASP A 30 -6.255 -14.801 -2.053 1.00 0.00 C ATOM 458 OD1 ASP A 30 -6.371 -15.910 -2.618 1.00 0.00 O ATOM 459 OD2 ASP A 30 -6.449 -14.647 -0.827 1.00 0.00 O ATOM 0 H ASP A 30 -5.739 -11.314 -3.994 1.00 0.00 H new ATOM 0 HA ASP A 30 -7.303 -13.785 -4.452 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -4.978 -13.889 -3.503 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -5.469 -12.820 -2.204 1.00 0.00 H new ATOM 464 N SER A 31 -8.506 -11.254 -3.206 1.00 0.00 N ATOM 465 CA SER A 31 -9.540 -10.565 -2.431 1.00 0.00 C ATOM 466 C SER A 31 -8.979 -10.200 -1.067 1.00 0.00 C ATOM 467 O SER A 31 -9.709 -9.996 -0.096 1.00 0.00 O ATOM 468 CB SER A 31 -10.814 -11.413 -2.296 1.00 0.00 C ATOM 469 OG SER A 31 -11.351 -11.733 -3.572 1.00 0.00 O ATOM 0 H SER A 31 -8.127 -10.695 -3.971 1.00 0.00 H new ATOM 0 HA SER A 31 -9.826 -9.656 -2.961 1.00 0.00 H new ATOM 0 HB2 SER A 31 -10.588 -12.330 -1.752 1.00 0.00 H new ATOM 0 HB3 SER A 31 -11.556 -10.870 -1.711 1.00 0.00 H new ATOM 0 HG SER A 31 -12.160 -12.274 -3.460 1.00 0.00 H new ATOM 475 N SER A 32 -7.660 -10.106 -1.012 1.00 0.00 N ATOM 476 CA SER A 32 -6.944 -9.789 0.173 1.00 0.00 C ATOM 477 C SER A 32 -7.147 -8.330 0.573 1.00 0.00 C ATOM 478 O SER A 32 -6.449 -7.436 0.087 1.00 0.00 O ATOM 479 CB SER A 32 -5.476 -10.086 -0.076 1.00 0.00 C ATOM 480 OG SER A 32 -5.107 -9.772 -1.405 1.00 0.00 O ATOM 0 H SER A 32 -7.059 -10.256 -1.822 1.00 0.00 H new ATOM 0 HA SER A 32 -7.315 -10.393 1.001 1.00 0.00 H new ATOM 0 HB2 SER A 32 -4.863 -9.512 0.619 1.00 0.00 H new ATOM 0 HB3 SER A 32 -5.278 -11.140 0.120 1.00 0.00 H new ATOM 0 HG SER A 32 -4.220 -9.356 -1.409 1.00 0.00 H new ATOM 486 N GLU A 33 -8.135 -8.083 1.420 1.00 0.00 N ATOM 487 CA GLU A 33 -8.406 -6.741 1.893 1.00 0.00 C ATOM 488 C GLU A 33 -7.479 -6.381 3.023 1.00 0.00 C ATOM 489 O GLU A 33 -7.669 -6.805 4.165 1.00 0.00 O ATOM 490 CB GLU A 33 -9.836 -6.597 2.371 1.00 0.00 C ATOM 491 CG GLU A 33 -10.878 -7.016 1.364 1.00 0.00 C ATOM 492 CD GLU A 33 -12.264 -6.671 1.826 1.00 0.00 C ATOM 493 OE1 GLU A 33 -12.682 -5.506 1.648 1.00 0.00 O ATOM 494 OE2 GLU A 33 -12.944 -7.551 2.380 1.00 0.00 O ATOM 0 H GLU A 33 -8.761 -8.797 1.792 1.00 0.00 H new ATOM 0 HA GLU A 33 -8.245 -6.067 1.051 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -9.965 -7.191 3.276 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -10.011 -5.557 2.645 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -10.680 -6.527 0.410 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -10.808 -8.090 1.193 1.00 0.00 H new ATOM 501 N ILE A 34 -6.482 -5.610 2.719 1.00 0.00 N ATOM 502 CA ILE A 34 -5.535 -5.184 3.715 1.00 0.00 C ATOM 503 C ILE A 34 -5.880 -3.773 4.165 1.00 0.00 C ATOM 504 O ILE A 34 -6.255 -2.931 3.349 1.00 0.00 O ATOM 505 CB ILE A 34 -4.094 -5.201 3.159 1.00 0.00 C ATOM 506 CG1 ILE A 34 -3.792 -6.539 2.454 1.00 0.00 C ATOM 507 CG2 ILE A 34 -3.092 -4.950 4.276 1.00 0.00 C ATOM 508 CD1 ILE A 34 -3.933 -7.758 3.346 1.00 0.00 C ATOM 0 H ILE A 34 -6.298 -5.257 1.780 1.00 0.00 H new ATOM 0 HA ILE A 34 -5.588 -5.875 4.556 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.003 -4.402 2.423 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -4.463 -6.647 1.602 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.777 -6.507 2.059 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.081 -4.965 3.868 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -3.287 -3.977 4.728 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -3.189 -5.728 5.034 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.703 -8.656 2.773 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -3.243 -7.676 4.185 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -4.955 -7.818 3.721 1.00 0.00 H new ATOM 520 N HIS A 35 -5.782 -3.510 5.455 1.00 0.00 N ATOM 521 CA HIS A 35 -6.067 -2.187 5.993 1.00 0.00 C ATOM 522 C HIS A 35 -4.807 -1.619 6.600 1.00 0.00 C ATOM 523 O HIS A 35 -4.106 -2.302 7.344 1.00 0.00 O ATOM 524 CB HIS A 35 -7.168 -2.243 7.059 1.00 0.00 C ATOM 525 CG HIS A 35 -8.539 -2.516 6.526 1.00 0.00 C ATOM 526 ND1 HIS A 35 -9.668 -1.890 7.003 1.00 0.00 N ATOM 527 CD2 HIS A 35 -8.965 -3.371 5.567 1.00 0.00 C ATOM 528 CE1 HIS A 35 -10.726 -2.349 6.369 1.00 0.00 C ATOM 529 NE2 HIS A 35 -10.330 -3.249 5.493 1.00 0.00 N ATOM 0 H HIS A 35 -5.506 -4.198 6.156 1.00 0.00 H new ATOM 0 HA HIS A 35 -6.416 -1.551 5.179 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -6.914 -3.016 7.784 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -7.184 -1.295 7.596 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -8.347 -4.026 4.972 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -11.747 -2.040 6.539 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -10.939 -3.771 4.862 1.00 0.00 H new ATOM 538 N PHE A 36 -4.501 -0.383 6.285 1.00 0.00 N ATOM 539 CA PHE A 36 -3.278 0.246 6.771 1.00 0.00 C ATOM 540 C PHE A 36 -3.469 1.738 6.998 1.00 0.00 C ATOM 541 O PHE A 36 -4.470 2.327 6.574 1.00 0.00 O ATOM 542 CB PHE A 36 -2.128 -0.012 5.788 1.00 0.00 C ATOM 543 CG PHE A 36 -2.598 -0.148 4.376 1.00 0.00 C ATOM 544 CD1 PHE A 36 -2.942 0.959 3.635 1.00 0.00 C ATOM 545 CD2 PHE A 36 -2.727 -1.399 3.800 1.00 0.00 C ATOM 546 CE1 PHE A 36 -3.401 0.819 2.346 1.00 0.00 C ATOM 547 CE2 PHE A 36 -3.189 -1.538 2.516 1.00 0.00 C ATOM 548 CZ PHE A 36 -3.526 -0.426 1.792 1.00 0.00 C ATOM 0 H PHE A 36 -5.078 0.215 5.694 1.00 0.00 H new ATOM 0 HA PHE A 36 -3.027 -0.199 7.734 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -1.411 0.806 5.851 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -1.602 -0.920 6.081 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -2.851 1.944 4.068 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -2.461 -2.278 4.369 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -3.663 1.694 1.770 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -3.286 -2.520 2.078 1.00 0.00 H new ATOM 0 HZ PHE A 36 -3.891 -0.532 0.781 1.00 0.00 H new ATOM 558 N LYS A 37 -2.508 2.347 7.666 1.00 0.00 N ATOM 559 CA LYS A 37 -2.552 3.762 7.983 1.00 0.00 C ATOM 560 C LYS A 37 -1.306 4.449 7.447 1.00 0.00 C ATOM 561 O LYS A 37 -0.185 4.025 7.736 1.00 0.00 O ATOM 562 CB LYS A 37 -2.635 3.943 9.495 1.00 0.00 C ATOM 563 CG LYS A 37 -3.842 3.267 10.116 1.00 0.00 C ATOM 564 CD LYS A 37 -3.766 3.272 11.627 1.00 0.00 C ATOM 565 CE LYS A 37 -4.968 2.575 12.229 1.00 0.00 C ATOM 566 NZ LYS A 37 -4.899 2.534 13.710 1.00 0.00 N ATOM 0 H LYS A 37 -1.671 1.872 8.006 1.00 0.00 H new ATOM 0 HA LYS A 37 -3.431 4.209 7.519 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -1.729 3.544 9.952 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -2.666 5.008 9.725 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -4.751 3.777 9.795 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -3.909 2.240 9.758 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -2.852 2.775 11.951 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -3.716 4.299 11.990 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -5.878 3.091 11.922 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -5.031 1.559 11.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -5.740 2.049 14.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -4.044 2.020 14.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -4.865 3.504 14.083 1.00 0.00 H new ATOM 580 N VAL A 38 -1.489 5.489 6.643 1.00 0.00 N ATOM 581 CA VAL A 38 -0.363 6.223 6.067 1.00 0.00 C ATOM 582 C VAL A 38 -0.693 7.710 5.963 1.00 0.00 C ATOM 583 O VAL A 38 -1.856 8.096 5.865 1.00 0.00 O ATOM 584 CB VAL A 38 0.034 5.699 4.646 1.00 0.00 C ATOM 585 CG1 VAL A 38 0.386 4.219 4.672 1.00 0.00 C ATOM 586 CG2 VAL A 38 -1.070 5.961 3.638 1.00 0.00 C ATOM 0 H VAL A 38 -2.406 5.845 6.373 1.00 0.00 H new ATOM 0 HA VAL A 38 0.482 6.065 6.738 1.00 0.00 H new ATOM 0 HB VAL A 38 0.922 6.250 4.337 1.00 0.00 H new ATOM 0 HG11 VAL A 38 0.656 3.892 3.668 1.00 0.00 H new ATOM 0 HG12 VAL A 38 1.228 4.057 5.345 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -0.473 3.647 5.021 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -0.766 5.587 2.660 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -1.980 5.452 3.955 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -1.257 7.033 3.574 1.00 0.00 H new ATOM 596 N LYS A 39 0.320 8.553 6.002 1.00 0.00 N ATOM 597 CA LYS A 39 0.106 9.987 5.854 1.00 0.00 C ATOM 598 C LYS A 39 -0.120 10.364 4.410 1.00 0.00 C ATOM 599 O LYS A 39 -0.003 9.544 3.504 1.00 0.00 O ATOM 600 CB LYS A 39 1.275 10.799 6.382 1.00 0.00 C ATOM 601 CG LYS A 39 1.341 10.917 7.879 1.00 0.00 C ATOM 602 CD LYS A 39 2.312 12.001 8.268 1.00 0.00 C ATOM 603 CE LYS A 39 1.678 13.381 8.199 1.00 0.00 C ATOM 604 NZ LYS A 39 2.607 14.444 8.656 1.00 0.00 N ATOM 0 H LYS A 39 1.293 8.277 6.134 1.00 0.00 H new ATOM 0 HA LYS A 39 -0.783 10.218 6.442 1.00 0.00 H new ATOM 0 HB2 LYS A 39 2.201 10.348 6.027 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.224 11.801 5.955 1.00 0.00 H new ATOM 0 HG2 LYS A 39 0.352 11.143 8.278 1.00 0.00 H new ATOM 0 HG3 LYS A 39 1.651 9.967 8.314 1.00 0.00 H new ATOM 0 HD2 LYS A 39 2.674 11.818 9.280 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.179 11.966 7.608 1.00 0.00 H new ATOM 0 HE2 LYS A 39 1.368 13.587 7.174 1.00 0.00 H new ATOM 0 HE3 LYS A 39 0.778 13.397 8.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 2.135 15.368 8.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 2.883 14.263 9.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 3.455 14.446 8.054 1.00 0.00 H new ATOM 618 N MET A 40 -0.424 11.620 4.194 1.00 0.00 N ATOM 619 CA MET A 40 -0.654 12.137 2.860 1.00 0.00 C ATOM 620 C MET A 40 0.654 12.572 2.230 1.00 0.00 C ATOM 621 O MET A 40 0.853 12.450 1.023 1.00 0.00 O ATOM 622 CB MET A 40 -1.618 13.327 2.914 1.00 0.00 C ATOM 623 CG MET A 40 -3.018 12.968 3.381 1.00 0.00 C ATOM 624 SD MET A 40 -4.257 13.182 2.090 1.00 0.00 S ATOM 625 CE MET A 40 -3.575 12.141 0.807 1.00 0.00 C ATOM 0 H MET A 40 -0.520 12.315 4.934 1.00 0.00 H new ATOM 0 HA MET A 40 -1.094 11.345 2.255 1.00 0.00 H new ATOM 0 HB2 MET A 40 -1.207 14.084 3.581 1.00 0.00 H new ATOM 0 HB3 MET A 40 -1.681 13.776 1.923 1.00 0.00 H new ATOM 0 HG2 MET A 40 -3.029 11.933 3.721 1.00 0.00 H new ATOM 0 HG3 MET A 40 -3.281 13.588 4.238 1.00 0.00 H new ATOM 0 HE1 MET A 40 -4.179 12.233 -0.096 1.00 0.00 H new ATOM 0 HE2 MET A 40 -2.552 12.450 0.593 1.00 0.00 H new ATOM 0 HE3 MET A 40 -3.578 11.103 1.141 1.00 0.00 H new ATOM 635 N THR A 41 1.564 13.053 3.061 1.00 0.00 N ATOM 636 CA THR A 41 2.840 13.561 2.592 1.00 0.00 C ATOM 637 C THR A 41 3.929 12.479 2.654 1.00 0.00 C ATOM 638 O THR A 41 5.127 12.768 2.542 1.00 0.00 O ATOM 639 CB THR A 41 3.278 14.805 3.418 1.00 0.00 C ATOM 640 OG1 THR A 41 4.491 15.351 2.890 1.00 0.00 O ATOM 641 CG2 THR A 41 3.478 14.445 4.885 1.00 0.00 C ATOM 0 H THR A 41 1.439 13.102 4.072 1.00 0.00 H new ATOM 0 HA THR A 41 2.711 13.858 1.551 1.00 0.00 H new ATOM 0 HB THR A 41 2.485 15.549 3.346 1.00 0.00 H new ATOM 0 HG1 THR A 41 5.089 14.622 2.624 1.00 0.00 H new ATOM 0 HG21 THR A 41 3.784 15.333 5.439 1.00 0.00 H new ATOM 0 HG22 THR A 41 2.543 14.064 5.297 1.00 0.00 H new ATOM 0 HG23 THR A 41 4.250 13.680 4.970 1.00 0.00 H new ATOM 649 N THR A 42 3.521 11.238 2.814 1.00 0.00 N ATOM 650 CA THR A 42 4.473 10.149 2.882 1.00 0.00 C ATOM 651 C THR A 42 4.444 9.367 1.576 1.00 0.00 C ATOM 652 O THR A 42 3.543 9.549 0.751 1.00 0.00 O ATOM 653 CB THR A 42 4.187 9.203 4.082 1.00 0.00 C ATOM 654 OG1 THR A 42 5.323 8.355 4.334 1.00 0.00 O ATOM 655 CG2 THR A 42 2.968 8.334 3.809 1.00 0.00 C ATOM 0 H THR A 42 2.544 10.959 2.899 1.00 0.00 H new ATOM 0 HA THR A 42 5.464 10.575 3.035 1.00 0.00 H new ATOM 0 HB THR A 42 3.993 9.824 4.956 1.00 0.00 H new ATOM 0 HG1 THR A 42 5.130 7.766 5.093 1.00 0.00 H new ATOM 0 HG21 THR A 42 2.788 7.681 4.663 1.00 0.00 H new ATOM 0 HG22 THR A 42 2.097 8.969 3.648 1.00 0.00 H new ATOM 0 HG23 THR A 42 3.144 7.729 2.920 1.00 0.00 H new ATOM 663 N HIS A 43 5.418 8.511 1.373 1.00 0.00 N ATOM 664 CA HIS A 43 5.482 7.736 0.158 1.00 0.00 C ATOM 665 C HIS A 43 4.585 6.518 0.219 1.00 0.00 C ATOM 666 O HIS A 43 4.453 5.863 1.254 1.00 0.00 O ATOM 667 CB HIS A 43 6.912 7.325 -0.163 1.00 0.00 C ATOM 668 CG HIS A 43 7.740 8.421 -0.745 1.00 0.00 C ATOM 669 ND1 HIS A 43 9.111 8.384 -0.787 1.00 0.00 N ATOM 670 CD2 HIS A 43 7.380 9.579 -1.337 1.00 0.00 C ATOM 671 CE1 HIS A 43 9.559 9.469 -1.378 1.00 0.00 C ATOM 672 NE2 HIS A 43 8.528 10.212 -1.723 1.00 0.00 N ATOM 0 H HIS A 43 6.175 8.334 2.033 1.00 0.00 H new ATOM 0 HA HIS A 43 5.120 8.378 -0.645 1.00 0.00 H new ATOM 0 HB2 HIS A 43 7.390 6.967 0.749 1.00 0.00 H new ATOM 0 HB3 HIS A 43 6.891 6.489 -0.862 1.00 0.00 H new ATOM 0 HD2 HIS A 43 6.372 9.939 -1.479 1.00 0.00 H new ATOM 0 HE1 HIS A 43 10.597 9.710 -1.551 1.00 0.00 H new ATOM 0 HE2 HIS A 43 8.578 11.112 -2.200 1.00 0.00 H new ATOM 681 N LEU A 44 3.977 6.218 -0.909 1.00 0.00 N ATOM 682 CA LEU A 44 3.085 5.079 -1.066 1.00 0.00 C ATOM 683 C LEU A 44 3.860 3.788 -0.886 1.00 0.00 C ATOM 684 O LEU A 44 3.286 2.733 -0.654 1.00 0.00 O ATOM 685 CB LEU A 44 2.461 5.110 -2.471 1.00 0.00 C ATOM 686 CG LEU A 44 0.942 4.911 -2.568 1.00 0.00 C ATOM 687 CD1 LEU A 44 0.529 3.554 -2.045 1.00 0.00 C ATOM 688 CD2 LEU A 44 0.210 6.006 -1.833 1.00 0.00 C ATOM 0 H LEU A 44 4.088 6.767 -1.761 1.00 0.00 H new ATOM 0 HA LEU A 44 2.298 5.132 -0.313 1.00 0.00 H new ATOM 0 HB2 LEU A 44 2.706 6.068 -2.929 1.00 0.00 H new ATOM 0 HB3 LEU A 44 2.942 4.338 -3.071 1.00 0.00 H new ATOM 0 HG LEU A 44 0.670 4.960 -3.622 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -0.552 3.446 -2.128 1.00 0.00 H new ATOM 0 HD12 LEU A 44 1.018 2.775 -2.630 1.00 0.00 H new ATOM 0 HD13 LEU A 44 0.824 3.462 -1.000 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -0.865 5.844 -1.916 1.00 0.00 H new ATOM 0 HD22 LEU A 44 0.499 5.995 -0.782 1.00 0.00 H new ATOM 0 HD23 LEU A 44 0.466 6.971 -2.270 1.00 0.00 H new ATOM 700 N LYS A 45 5.183 3.881 -0.993 1.00 0.00 N ATOM 701 CA LYS A 45 6.057 2.731 -0.866 1.00 0.00 C ATOM 702 C LYS A 45 5.784 1.947 0.408 1.00 0.00 C ATOM 703 O LYS A 45 5.611 0.737 0.358 1.00 0.00 O ATOM 704 CB LYS A 45 7.525 3.158 -0.955 1.00 0.00 C ATOM 705 CG LYS A 45 7.960 4.170 0.092 1.00 0.00 C ATOM 706 CD LYS A 45 8.688 3.505 1.253 1.00 0.00 C ATOM 707 CE LYS A 45 9.996 2.866 0.810 1.00 0.00 C ATOM 708 NZ LYS A 45 10.580 2.028 1.882 1.00 0.00 N ATOM 0 H LYS A 45 5.674 4.758 -1.170 1.00 0.00 H new ATOM 0 HA LYS A 45 5.845 2.061 -1.699 1.00 0.00 H new ATOM 0 HB2 LYS A 45 8.153 2.271 -0.865 1.00 0.00 H new ATOM 0 HB3 LYS A 45 7.707 3.579 -1.944 1.00 0.00 H new ATOM 0 HG2 LYS A 45 8.612 4.912 -0.369 1.00 0.00 H new ATOM 0 HG3 LYS A 45 7.086 4.703 0.468 1.00 0.00 H new ATOM 0 HD2 LYS A 45 8.889 4.245 2.027 1.00 0.00 H new ATOM 0 HD3 LYS A 45 8.045 2.745 1.698 1.00 0.00 H new ATOM 0 HE2 LYS A 45 9.822 2.256 -0.076 1.00 0.00 H new ATOM 0 HE3 LYS A 45 10.705 3.644 0.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 11.557 1.774 1.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 10.580 2.559 2.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 10.015 1.162 1.993 1.00 0.00 H new ATOM 722 N LYS A 46 5.686 2.651 1.548 1.00 0.00 N ATOM 723 CA LYS A 46 5.441 2.007 2.839 1.00 0.00 C ATOM 724 C LYS A 46 4.149 1.238 2.804 1.00 0.00 C ATOM 725 O LYS A 46 4.027 0.197 3.403 1.00 0.00 O ATOM 726 CB LYS A 46 5.410 3.041 3.978 1.00 0.00 C ATOM 727 CG LYS A 46 4.263 4.047 3.886 1.00 0.00 C ATOM 728 CD LYS A 46 4.181 4.936 5.121 1.00 0.00 C ATOM 729 CE LYS A 46 3.879 4.131 6.381 1.00 0.00 C ATOM 730 NZ LYS A 46 3.689 5.000 7.571 1.00 0.00 N ATOM 0 H LYS A 46 5.773 3.666 1.596 1.00 0.00 H new ATOM 0 HA LYS A 46 6.261 1.315 3.029 1.00 0.00 H new ATOM 0 HB2 LYS A 46 5.339 2.514 4.929 1.00 0.00 H new ATOM 0 HB3 LYS A 46 6.355 3.585 3.985 1.00 0.00 H new ATOM 0 HG2 LYS A 46 4.396 4.668 3.001 1.00 0.00 H new ATOM 0 HG3 LYS A 46 3.321 3.512 3.761 1.00 0.00 H new ATOM 0 HD2 LYS A 46 5.123 5.469 5.248 1.00 0.00 H new ATOM 0 HD3 LYS A 46 3.406 5.688 4.976 1.00 0.00 H new ATOM 0 HE2 LYS A 46 2.981 3.534 6.222 1.00 0.00 H new ATOM 0 HE3 LYS A 46 4.696 3.434 6.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 3.290 4.439 8.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 4.606 5.395 7.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 3.038 5.775 7.334 1.00 0.00 H new ATOM 744 N LEU A 47 3.201 1.754 2.078 1.00 0.00 N ATOM 745 CA LEU A 47 1.909 1.144 1.940 1.00 0.00 C ATOM 746 C LEU A 47 2.016 -0.132 1.102 1.00 0.00 C ATOM 747 O LEU A 47 1.504 -1.190 1.480 1.00 0.00 O ATOM 748 CB LEU A 47 0.982 2.163 1.275 1.00 0.00 C ATOM 749 CG LEU A 47 -0.506 1.836 1.216 1.00 0.00 C ATOM 750 CD1 LEU A 47 -1.304 3.118 1.010 1.00 0.00 C ATOM 751 CD2 LEU A 47 -0.801 0.852 0.088 1.00 0.00 C ATOM 0 H LEU A 47 3.304 2.624 1.556 1.00 0.00 H new ATOM 0 HA LEU A 47 1.509 0.861 2.914 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.096 3.112 1.799 1.00 0.00 H new ATOM 0 HB3 LEU A 47 1.332 2.318 0.254 1.00 0.00 H new ATOM 0 HG LEU A 47 -0.798 1.373 2.159 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -2.367 2.882 0.968 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -1.116 3.801 1.839 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -1.000 3.590 0.076 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -1.869 0.634 0.066 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.500 1.289 -0.864 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.245 -0.071 0.256 1.00 0.00 H new ATOM 763 N LYS A 48 2.699 -0.024 -0.030 1.00 0.00 N ATOM 764 CA LYS A 48 2.855 -1.144 -0.961 1.00 0.00 C ATOM 765 C LYS A 48 3.553 -2.309 -0.280 1.00 0.00 C ATOM 766 O LYS A 48 3.083 -3.445 -0.322 1.00 0.00 O ATOM 767 CB LYS A 48 3.671 -0.727 -2.185 1.00 0.00 C ATOM 768 CG LYS A 48 3.300 0.622 -2.761 1.00 0.00 C ATOM 769 CD LYS A 48 4.399 1.146 -3.677 1.00 0.00 C ATOM 770 CE LYS A 48 4.557 0.292 -4.907 1.00 0.00 C ATOM 771 NZ LYS A 48 5.889 0.462 -5.524 1.00 0.00 N ATOM 0 H LYS A 48 3.159 0.835 -0.331 1.00 0.00 H new ATOM 0 HA LYS A 48 1.858 -1.448 -1.280 1.00 0.00 H new ATOM 0 HB2 LYS A 48 4.727 -0.713 -1.914 1.00 0.00 H new ATOM 0 HB3 LYS A 48 3.551 -1.484 -2.960 1.00 0.00 H new ATOM 0 HG2 LYS A 48 2.366 0.539 -3.318 1.00 0.00 H new ATOM 0 HG3 LYS A 48 3.127 1.332 -1.952 1.00 0.00 H new ATOM 0 HD2 LYS A 48 4.168 2.170 -3.972 1.00 0.00 H new ATOM 0 HD3 LYS A 48 5.343 1.176 -3.132 1.00 0.00 H new ATOM 0 HE2 LYS A 48 4.409 -0.755 -4.644 1.00 0.00 H new ATOM 0 HE3 LYS A 48 3.785 0.551 -5.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 5.992 -0.203 -6.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 5.988 1.436 -5.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 6.626 0.272 -4.816 1.00 0.00 H new ATOM 785 N GLU A 49 4.665 -2.017 0.362 1.00 0.00 N ATOM 786 CA GLU A 49 5.444 -3.038 1.045 1.00 0.00 C ATOM 787 C GLU A 49 4.677 -3.578 2.246 1.00 0.00 C ATOM 788 O GLU A 49 4.742 -4.769 2.559 1.00 0.00 O ATOM 789 CB GLU A 49 6.824 -2.495 1.467 1.00 0.00 C ATOM 790 CG GLU A 49 6.772 -1.166 2.202 1.00 0.00 C ATOM 791 CD GLU A 49 8.133 -0.687 2.687 1.00 0.00 C ATOM 792 OE1 GLU A 49 8.854 -1.465 3.352 1.00 0.00 O ATOM 793 OE2 GLU A 49 8.485 0.480 2.413 1.00 0.00 O ATOM 0 H GLU A 49 5.054 -1.076 0.427 1.00 0.00 H new ATOM 0 HA GLU A 49 5.613 -3.860 0.349 1.00 0.00 H new ATOM 0 HB2 GLU A 49 7.312 -3.232 2.105 1.00 0.00 H new ATOM 0 HB3 GLU A 49 7.445 -2.382 0.578 1.00 0.00 H new ATOM 0 HG2 GLU A 49 6.344 -0.411 1.542 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.102 -1.259 3.057 1.00 0.00 H new ATOM 800 N SER A 50 3.903 -2.709 2.891 1.00 0.00 N ATOM 801 CA SER A 50 3.128 -3.093 4.052 1.00 0.00 C ATOM 802 C SER A 50 2.030 -4.087 3.697 1.00 0.00 C ATOM 803 O SER A 50 1.863 -5.107 4.366 1.00 0.00 O ATOM 804 CB SER A 50 2.539 -1.859 4.739 1.00 0.00 C ATOM 805 OG SER A 50 3.514 -1.210 5.536 1.00 0.00 O ATOM 0 H SER A 50 3.800 -1.730 2.622 1.00 0.00 H new ATOM 0 HA SER A 50 3.805 -3.590 4.747 1.00 0.00 H new ATOM 0 HB2 SER A 50 2.158 -1.167 3.988 1.00 0.00 H new ATOM 0 HB3 SER A 50 1.693 -2.153 5.360 1.00 0.00 H new ATOM 0 HG SER A 50 3.994 -0.550 4.993 1.00 0.00 H new ATOM 811 N TYR A 51 1.295 -3.834 2.628 1.00 0.00 N ATOM 812 CA TYR A 51 0.210 -4.723 2.279 1.00 0.00 C ATOM 813 C TYR A 51 0.745 -6.001 1.641 1.00 0.00 C ATOM 814 O TYR A 51 0.180 -7.082 1.821 1.00 0.00 O ATOM 815 CB TYR A 51 -0.842 -4.029 1.386 1.00 0.00 C ATOM 816 CG TYR A 51 -0.576 -4.085 -0.107 1.00 0.00 C ATOM 817 CD1 TYR A 51 -0.944 -5.197 -0.846 1.00 0.00 C ATOM 818 CD2 TYR A 51 0.020 -3.028 -0.772 1.00 0.00 C ATOM 819 CE1 TYR A 51 -0.722 -5.259 -2.200 1.00 0.00 C ATOM 820 CE2 TYR A 51 0.248 -3.085 -2.137 1.00 0.00 C ATOM 821 CZ TYR A 51 -0.126 -4.202 -2.839 1.00 0.00 C ATOM 822 OH TYR A 51 0.096 -4.261 -4.187 1.00 0.00 O ATOM 0 H TYR A 51 1.427 -3.039 2.002 1.00 0.00 H new ATOM 0 HA TYR A 51 -0.303 -4.999 3.200 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -1.814 -4.483 1.581 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -0.913 -2.983 1.685 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -1.415 -6.032 -0.348 1.00 0.00 H new ATOM 0 HD2 TYR A 51 0.311 -2.147 -0.219 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -1.015 -6.136 -2.759 1.00 0.00 H new ATOM 0 HE2 TYR A 51 0.717 -2.255 -2.645 1.00 0.00 H new ATOM 0 HH TYR A 51 -0.499 -4.928 -4.588 1.00 0.00 H new ATOM 832 N CYS A 52 1.855 -5.885 0.910 1.00 0.00 N ATOM 833 CA CYS A 52 2.466 -7.040 0.271 1.00 0.00 C ATOM 834 C CYS A 52 2.907 -8.055 1.304 1.00 0.00 C ATOM 835 O CYS A 52 2.650 -9.258 1.166 1.00 0.00 O ATOM 836 CB CYS A 52 3.648 -6.626 -0.604 1.00 0.00 C ATOM 837 SG CYS A 52 3.175 -5.766 -2.118 1.00 0.00 S ATOM 0 H CYS A 52 2.344 -5.004 0.749 1.00 0.00 H new ATOM 0 HA CYS A 52 1.714 -7.500 -0.369 1.00 0.00 H new ATOM 0 HB2 CYS A 52 4.308 -5.982 -0.024 1.00 0.00 H new ATOM 0 HB3 CYS A 52 4.221 -7.515 -0.867 1.00 0.00 H new ATOM 0 HG CYS A 52 2.917 -4.521 -1.847 1.00 0.00 H new ATOM 843 N GLN A 53 3.541 -7.577 2.366 1.00 0.00 N ATOM 844 CA GLN A 53 4.005 -8.465 3.410 1.00 0.00 C ATOM 845 C GLN A 53 2.821 -9.078 4.158 1.00 0.00 C ATOM 846 O GLN A 53 2.887 -10.222 4.605 1.00 0.00 O ATOM 847 CB GLN A 53 4.955 -7.755 4.385 1.00 0.00 C ATOM 848 CG GLN A 53 4.317 -6.620 5.160 1.00 0.00 C ATOM 849 CD GLN A 53 5.229 -6.046 6.219 1.00 0.00 C ATOM 850 OE1 GLN A 53 6.446 -6.052 6.078 1.00 0.00 O ATOM 851 NE2 GLN A 53 4.641 -5.551 7.287 1.00 0.00 N ATOM 0 H GLN A 53 3.742 -6.589 2.522 1.00 0.00 H new ATOM 0 HA GLN A 53 4.570 -9.266 2.932 1.00 0.00 H new ATOM 0 HB2 GLN A 53 5.346 -8.487 5.091 1.00 0.00 H new ATOM 0 HB3 GLN A 53 5.806 -7.365 3.826 1.00 0.00 H new ATOM 0 HG2 GLN A 53 4.031 -5.829 4.467 1.00 0.00 H new ATOM 0 HG3 GLN A 53 3.402 -6.978 5.631 1.00 0.00 H new ATOM 0 HE21 GLN A 53 3.624 -5.567 7.363 1.00 0.00 H new ATOM 0 HE22 GLN A 53 5.202 -5.152 8.039 1.00 0.00 H new ATOM 860 N ARG A 54 1.720 -8.314 4.296 1.00 0.00 N ATOM 861 CA ARG A 54 0.507 -8.823 4.950 1.00 0.00 C ATOM 862 C ARG A 54 -0.003 -10.074 4.247 1.00 0.00 C ATOM 863 O ARG A 54 -0.475 -11.014 4.880 1.00 0.00 O ATOM 864 CB ARG A 54 -0.595 -7.759 4.946 1.00 0.00 C ATOM 865 CG ARG A 54 -0.297 -6.524 5.776 1.00 0.00 C ATOM 866 CD ARG A 54 -0.358 -6.805 7.263 1.00 0.00 C ATOM 867 NE ARG A 54 -0.199 -5.577 8.045 1.00 0.00 N ATOM 868 CZ ARG A 54 -1.182 -4.986 8.732 1.00 0.00 C ATOM 869 NH1 ARG A 54 -2.401 -5.517 8.753 1.00 0.00 N ATOM 870 NH2 ARG A 54 -0.938 -3.862 9.400 1.00 0.00 N ATOM 0 H ARG A 54 1.649 -7.352 3.966 1.00 0.00 H new ATOM 0 HA ARG A 54 0.766 -9.072 5.979 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -0.778 -7.451 3.917 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -1.517 -8.211 5.312 1.00 0.00 H new ATOM 0 HG2 ARG A 54 0.693 -6.146 5.520 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -1.012 -5.740 5.527 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -1.311 -7.273 7.508 1.00 0.00 H new ATOM 0 HD3 ARG A 54 0.424 -7.514 7.533 1.00 0.00 H new ATOM 0 HE ARG A 54 0.724 -5.143 8.067 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -2.590 -6.380 8.243 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -3.147 -5.061 9.279 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -0.003 -3.454 9.387 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -1.686 -3.408 9.925 1.00 0.00 H new ATOM 884 N GLN A 55 0.097 -10.084 2.928 1.00 0.00 N ATOM 885 CA GLN A 55 -0.350 -11.217 2.129 1.00 0.00 C ATOM 886 C GLN A 55 0.697 -12.315 2.111 1.00 0.00 C ATOM 887 O GLN A 55 0.391 -13.474 1.839 1.00 0.00 O ATOM 888 CB GLN A 55 -0.639 -10.763 0.712 1.00 0.00 C ATOM 889 CG GLN A 55 -1.816 -9.817 0.603 1.00 0.00 C ATOM 890 CD GLN A 55 -1.665 -8.824 -0.527 1.00 0.00 C ATOM 891 OE1 GLN A 55 -2.643 -8.438 -1.169 1.00 0.00 O ATOM 892 NE2 GLN A 55 -0.443 -8.377 -0.754 1.00 0.00 N ATOM 0 H GLN A 55 0.487 -9.315 2.383 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.259 -11.616 2.578 1.00 0.00 H new ATOM 0 HB2 GLN A 55 0.248 -10.273 0.309 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -0.829 -11.639 0.091 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -2.728 -10.395 0.454 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -1.931 -9.277 1.543 1.00 0.00 H new ATOM 0 HE21 GLN A 55 0.339 -8.724 -0.198 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -0.281 -7.685 -1.485 1.00 0.00 H new ATOM 901 N GLY A 56 1.937 -11.954 2.397 1.00 0.00 N ATOM 902 CA GLY A 56 3.005 -12.928 2.423 1.00 0.00 C ATOM 903 C GLY A 56 3.559 -13.209 1.046 1.00 0.00 C ATOM 904 O GLY A 56 4.035 -14.308 0.772 1.00 0.00 O ATOM 0 H GLY A 56 2.224 -10.999 2.613 1.00 0.00 H new ATOM 0 HA2 GLY A 56 3.806 -12.568 3.068 1.00 0.00 H new ATOM 0 HA3 GLY A 56 2.637 -13.856 2.860 1.00 0.00 H new ATOM 908 N VAL A 57 3.508 -12.217 0.170 1.00 0.00 N ATOM 909 CA VAL A 57 3.993 -12.377 -1.194 1.00 0.00 C ATOM 910 C VAL A 57 4.894 -11.212 -1.588 1.00 0.00 C ATOM 911 O VAL A 57 4.710 -10.087 -1.111 1.00 0.00 O ATOM 912 CB VAL A 57 2.824 -12.489 -2.219 1.00 0.00 C ATOM 913 CG1 VAL A 57 1.963 -13.710 -1.934 1.00 0.00 C ATOM 914 CG2 VAL A 57 1.976 -11.221 -2.221 1.00 0.00 C ATOM 0 H VAL A 57 3.135 -11.291 0.379 1.00 0.00 H new ATOM 0 HA VAL A 57 4.563 -13.306 -1.218 1.00 0.00 H new ATOM 0 HB VAL A 57 3.261 -12.607 -3.210 1.00 0.00 H new ATOM 0 HG11 VAL A 57 1.155 -13.764 -2.664 1.00 0.00 H new ATOM 0 HG12 VAL A 57 2.574 -14.610 -2.002 1.00 0.00 H new ATOM 0 HG13 VAL A 57 1.542 -13.632 -0.932 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.168 -11.325 -2.945 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.556 -11.063 -1.228 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.598 -10.368 -2.492 1.00 0.00 H new ATOM 924 N PRO A 58 5.899 -11.470 -2.439 1.00 0.00 N ATOM 925 CA PRO A 58 6.793 -10.429 -2.927 1.00 0.00 C ATOM 926 C PRO A 58 6.049 -9.378 -3.758 1.00 0.00 C ATOM 927 O PRO A 58 5.053 -9.675 -4.427 1.00 0.00 O ATOM 928 CB PRO A 58 7.813 -11.182 -3.786 1.00 0.00 C ATOM 929 CG PRO A 58 7.177 -12.487 -4.102 1.00 0.00 C ATOM 930 CD PRO A 58 6.250 -12.799 -2.965 1.00 0.00 C ATOM 0 HA PRO A 58 7.254 -9.875 -2.110 1.00 0.00 H new ATOM 0 HB2 PRO A 58 8.046 -10.628 -4.695 1.00 0.00 H new ATOM 0 HB3 PRO A 58 8.751 -11.322 -3.249 1.00 0.00 H new ATOM 0 HG2 PRO A 58 6.631 -12.434 -5.044 1.00 0.00 H new ATOM 0 HG3 PRO A 58 7.929 -13.268 -4.214 1.00 0.00 H new ATOM 0 HD2 PRO A 58 5.368 -13.343 -3.303 1.00 0.00 H new ATOM 0 HD3 PRO A 58 6.735 -13.416 -2.208 1.00 0.00 H new ATOM 938 N MET A 59 6.552 -8.155 -3.734 1.00 0.00 N ATOM 939 CA MET A 59 5.913 -7.022 -4.412 1.00 0.00 C ATOM 940 C MET A 59 6.011 -7.143 -5.935 1.00 0.00 C ATOM 941 O MET A 59 5.391 -6.385 -6.672 1.00 0.00 O ATOM 942 CB MET A 59 6.560 -5.718 -3.951 1.00 0.00 C ATOM 943 CG MET A 59 6.618 -5.573 -2.438 1.00 0.00 C ATOM 944 SD MET A 59 7.531 -4.118 -1.899 1.00 0.00 S ATOM 945 CE MET A 59 6.503 -2.815 -2.555 1.00 0.00 C ATOM 0 H MET A 59 7.414 -7.912 -3.246 1.00 0.00 H new ATOM 0 HA MET A 59 4.856 -7.025 -4.148 1.00 0.00 H new ATOM 0 HB2 MET A 59 7.572 -5.661 -4.353 1.00 0.00 H new ATOM 0 HB3 MET A 59 6.004 -4.878 -4.368 1.00 0.00 H new ATOM 0 HG2 MET A 59 5.602 -5.523 -2.045 1.00 0.00 H new ATOM 0 HG3 MET A 59 7.081 -6.463 -2.012 1.00 0.00 H new ATOM 0 HE1 MET A 59 6.776 -1.868 -2.090 1.00 0.00 H new ATOM 0 HE2 MET A 59 6.648 -2.745 -3.633 1.00 0.00 H new ATOM 0 HE3 MET A 59 5.457 -3.035 -2.343 1.00 0.00 H new ATOM 955 N ASN A 60 6.789 -8.103 -6.397 1.00 0.00 N ATOM 956 CA ASN A 60 6.983 -8.329 -7.825 1.00 0.00 C ATOM 957 C ASN A 60 5.979 -9.350 -8.356 1.00 0.00 C ATOM 958 O ASN A 60 5.882 -9.581 -9.555 1.00 0.00 O ATOM 959 CB ASN A 60 8.417 -8.804 -8.091 1.00 0.00 C ATOM 960 CG ASN A 60 8.853 -9.894 -7.127 1.00 0.00 C ATOM 961 OD1 ASN A 60 9.389 -9.610 -6.054 1.00 0.00 O ATOM 962 ND2 ASN A 60 8.626 -11.138 -7.487 1.00 0.00 N ATOM 0 H ASN A 60 7.305 -8.749 -5.799 1.00 0.00 H new ATOM 0 HA ASN A 60 6.818 -7.387 -8.349 1.00 0.00 H new ATOM 0 HB2 ASN A 60 8.490 -9.176 -9.113 1.00 0.00 H new ATOM 0 HB3 ASN A 60 9.098 -7.957 -8.010 1.00 0.00 H new ATOM 0 HD21 ASN A 60 8.896 -11.905 -6.871 1.00 0.00 H new ATOM 0 HD22 ASN A 60 8.180 -11.336 -8.383 1.00 0.00 H new ATOM 969 N SER A 61 5.247 -9.975 -7.453 1.00 0.00 N ATOM 970 CA SER A 61 4.250 -10.959 -7.813 1.00 0.00 C ATOM 971 C SER A 61 2.917 -10.312 -8.166 1.00 0.00 C ATOM 972 O SER A 61 2.098 -10.894 -8.882 1.00 0.00 O ATOM 973 CB SER A 61 4.039 -11.914 -6.650 1.00 0.00 C ATOM 974 OG SER A 61 5.206 -12.646 -6.369 1.00 0.00 O ATOM 0 H SER A 61 5.329 -9.813 -6.449 1.00 0.00 H new ATOM 0 HA SER A 61 4.614 -11.493 -8.690 1.00 0.00 H new ATOM 0 HB2 SER A 61 3.738 -11.352 -5.766 1.00 0.00 H new ATOM 0 HB3 SER A 61 3.225 -12.600 -6.884 1.00 0.00 H new ATOM 0 HG SER A 61 5.206 -13.475 -6.892 1.00 0.00 H new ATOM 980 N LEU A 62 2.684 -9.123 -7.675 1.00 0.00 N ATOM 981 CA LEU A 62 1.406 -8.485 -7.873 1.00 0.00 C ATOM 982 C LEU A 62 1.514 -7.101 -8.495 1.00 0.00 C ATOM 983 O LEU A 62 2.590 -6.524 -8.588 1.00 0.00 O ATOM 984 CB LEU A 62 0.629 -8.453 -6.554 1.00 0.00 C ATOM 985 CG LEU A 62 1.439 -8.097 -5.302 1.00 0.00 C ATOM 986 CD1 LEU A 62 1.888 -6.644 -5.328 1.00 0.00 C ATOM 987 CD2 LEU A 62 0.633 -8.392 -4.050 1.00 0.00 C ATOM 0 H LEU A 62 3.358 -8.578 -7.137 1.00 0.00 H new ATOM 0 HA LEU A 62 0.854 -9.084 -8.597 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.184 -7.734 -6.652 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.173 -9.431 -6.401 1.00 0.00 H new ATOM 0 HG LEU A 62 2.335 -8.717 -5.291 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.460 -6.424 -4.427 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.512 -6.472 -6.205 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.014 -5.994 -5.371 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.221 -8.134 -3.169 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.283 -7.802 -4.060 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.381 -9.452 -4.021 1.00 0.00 H new ATOM 999 N ARG A 63 0.374 -6.577 -8.898 1.00 0.00 N ATOM 1000 CA ARG A 63 0.289 -5.288 -9.547 1.00 0.00 C ATOM 1001 C ARG A 63 -0.505 -4.313 -8.701 1.00 0.00 C ATOM 1002 O ARG A 63 -1.705 -4.476 -8.509 1.00 0.00 O ATOM 1003 CB ARG A 63 -0.355 -5.421 -10.935 1.00 0.00 C ATOM 1004 CG ARG A 63 0.461 -6.242 -11.912 1.00 0.00 C ATOM 1005 CD ARG A 63 -0.188 -6.312 -13.287 1.00 0.00 C ATOM 1006 NE ARG A 63 -1.285 -7.287 -13.345 1.00 0.00 N ATOM 1007 CZ ARG A 63 -2.442 -7.099 -13.993 1.00 0.00 C ATOM 1008 NH1 ARG A 63 -2.684 -5.951 -14.622 1.00 0.00 N ATOM 1009 NH2 ARG A 63 -3.354 -8.063 -14.014 1.00 0.00 N ATOM 0 H ARG A 63 -0.527 -7.040 -8.782 1.00 0.00 H new ATOM 0 HA ARG A 63 1.302 -4.904 -9.666 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -1.340 -5.876 -10.826 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -0.508 -4.425 -11.351 1.00 0.00 H new ATOM 0 HG2 ARG A 63 1.457 -5.809 -12.004 1.00 0.00 H new ATOM 0 HG3 ARG A 63 0.587 -7.251 -11.520 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -0.568 -5.326 -13.556 1.00 0.00 H new ATOM 0 HD3 ARG A 63 0.567 -6.575 -14.028 1.00 0.00 H new ATOM 0 HE ARG A 63 -1.156 -8.173 -12.856 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -1.986 -5.207 -14.613 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -3.567 -5.815 -15.113 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -3.174 -8.946 -13.537 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -4.235 -7.921 -14.507 1.00 0.00 H new ATOM 1023 N PHE A 64 0.168 -3.312 -8.190 1.00 0.00 N ATOM 1024 CA PHE A 64 -0.464 -2.280 -7.385 1.00 0.00 C ATOM 1025 C PHE A 64 -0.789 -1.064 -8.237 1.00 0.00 C ATOM 1026 O PHE A 64 0.112 -0.394 -8.758 1.00 0.00 O ATOM 1027 CB PHE A 64 0.435 -1.880 -6.200 1.00 0.00 C ATOM 1028 CG PHE A 64 1.917 -2.119 -6.423 1.00 0.00 C ATOM 1029 CD1 PHE A 64 2.581 -1.555 -7.506 1.00 0.00 C ATOM 1030 CD2 PHE A 64 2.641 -2.915 -5.546 1.00 0.00 C ATOM 1031 CE1 PHE A 64 3.927 -1.784 -7.710 1.00 0.00 C ATOM 1032 CE2 PHE A 64 3.989 -3.144 -5.745 1.00 0.00 C ATOM 1033 CZ PHE A 64 4.631 -2.580 -6.829 1.00 0.00 C ATOM 0 H PHE A 64 1.172 -3.184 -8.317 1.00 0.00 H new ATOM 0 HA PHE A 64 -1.394 -2.684 -6.986 1.00 0.00 H new ATOM 0 HB2 PHE A 64 0.279 -0.823 -5.983 1.00 0.00 H new ATOM 0 HB3 PHE A 64 0.119 -2.436 -5.317 1.00 0.00 H new ATOM 0 HD1 PHE A 64 2.036 -0.929 -8.197 1.00 0.00 H new ATOM 0 HD2 PHE A 64 2.144 -3.361 -4.697 1.00 0.00 H new ATOM 0 HE1 PHE A 64 4.429 -1.341 -8.558 1.00 0.00 H new ATOM 0 HE2 PHE A 64 4.540 -3.764 -5.053 1.00 0.00 H new ATOM 0 HZ PHE A 64 5.684 -2.761 -6.988 1.00 0.00 H new ATOM 1043 N LEU A 65 -2.065 -0.767 -8.396 1.00 0.00 N ATOM 1044 CA LEU A 65 -2.456 0.368 -9.197 1.00 0.00 C ATOM 1045 C LEU A 65 -3.678 1.079 -8.617 1.00 0.00 C ATOM 1046 O LEU A 65 -4.421 0.530 -7.798 1.00 0.00 O ATOM 1047 CB LEU A 65 -2.675 -0.041 -10.694 1.00 0.00 C ATOM 1048 CG LEU A 65 -3.994 -0.746 -11.081 1.00 0.00 C ATOM 1049 CD1 LEU A 65 -4.330 -1.859 -10.122 1.00 0.00 C ATOM 1050 CD2 LEU A 65 -5.142 0.256 -11.203 1.00 0.00 C ATOM 0 H LEU A 65 -2.837 -1.291 -7.985 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.634 1.084 -9.172 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -2.592 0.861 -11.300 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.852 -0.696 -10.982 1.00 0.00 H new ATOM 0 HG LEU A 65 -3.848 -1.200 -12.061 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -5.264 -2.332 -10.426 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -3.530 -2.599 -10.129 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -4.440 -1.452 -9.117 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -6.057 -0.270 -11.476 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -5.286 0.762 -10.249 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -4.903 0.991 -11.971 1.00 0.00 H new ATOM 1062 N PHE A 66 -3.879 2.298 -9.050 1.00 0.00 N ATOM 1063 CA PHE A 66 -4.997 3.103 -8.634 1.00 0.00 C ATOM 1064 C PHE A 66 -5.430 3.969 -9.792 1.00 0.00 C ATOM 1065 O PHE A 66 -4.593 4.515 -10.492 1.00 0.00 O ATOM 1066 CB PHE A 66 -4.618 3.968 -7.433 1.00 0.00 C ATOM 1067 CG PHE A 66 -5.709 4.889 -6.984 1.00 0.00 C ATOM 1068 CD1 PHE A 66 -6.780 4.408 -6.255 1.00 0.00 C ATOM 1069 CD2 PHE A 66 -5.656 6.237 -7.289 1.00 0.00 C ATOM 1070 CE1 PHE A 66 -7.782 5.257 -5.835 1.00 0.00 C ATOM 1071 CE2 PHE A 66 -6.652 7.091 -6.877 1.00 0.00 C ATOM 1072 CZ PHE A 66 -7.718 6.604 -6.148 1.00 0.00 C ATOM 0 H PHE A 66 -3.260 2.765 -9.712 1.00 0.00 H new ATOM 0 HA PHE A 66 -5.820 2.455 -8.333 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -4.339 3.319 -6.603 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -3.738 4.559 -7.686 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -6.833 3.357 -6.012 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -4.823 6.623 -7.857 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -8.614 4.872 -5.264 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -6.600 8.141 -7.124 1.00 0.00 H new ATOM 0 HZ PHE A 66 -8.501 7.273 -5.822 1.00 0.00 H new ATOM 1082 N GLU A 67 -6.745 4.071 -10.000 1.00 0.00 N ATOM 1083 CA GLU A 67 -7.361 4.846 -11.105 1.00 0.00 C ATOM 1084 C GLU A 67 -6.714 4.535 -12.465 1.00 0.00 C ATOM 1085 O GLU A 67 -6.706 5.367 -13.377 1.00 0.00 O ATOM 1086 CB GLU A 67 -7.348 6.368 -10.832 1.00 0.00 C ATOM 1087 CG GLU A 67 -5.975 7.004 -10.872 1.00 0.00 C ATOM 1088 CD GLU A 67 -6.029 8.508 -11.016 1.00 0.00 C ATOM 1089 OE1 GLU A 67 -6.407 9.188 -10.049 1.00 0.00 O ATOM 1090 OE2 GLU A 67 -5.703 9.019 -12.111 1.00 0.00 O ATOM 0 H GLU A 67 -7.432 3.613 -9.401 1.00 0.00 H new ATOM 0 HA GLU A 67 -8.402 4.526 -11.151 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -7.984 6.861 -11.567 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -7.791 6.552 -9.853 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -5.436 6.750 -9.959 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -5.409 6.584 -11.704 1.00 0.00 H new ATOM 1097 N GLY A 68 -6.203 3.324 -12.615 1.00 0.00 N ATOM 1098 CA GLY A 68 -5.565 2.934 -13.854 1.00 0.00 C ATOM 1099 C GLY A 68 -4.111 3.368 -13.943 1.00 0.00 C ATOM 1100 O GLY A 68 -3.559 3.494 -15.036 1.00 0.00 O ATOM 0 H GLY A 68 -6.219 2.600 -11.897 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -5.621 1.850 -13.958 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -6.117 3.363 -14.690 1.00 0.00 H new ATOM 1104 N GLN A 69 -3.479 3.590 -12.806 1.00 0.00 N ATOM 1105 CA GLN A 69 -2.083 4.006 -12.777 1.00 0.00 C ATOM 1106 C GLN A 69 -1.314 3.128 -11.808 1.00 0.00 C ATOM 1107 O GLN A 69 -1.809 2.815 -10.731 1.00 0.00 O ATOM 1108 CB GLN A 69 -1.970 5.482 -12.340 1.00 0.00 C ATOM 1109 CG GLN A 69 -1.719 5.677 -10.844 1.00 0.00 C ATOM 1110 CD GLN A 69 -1.820 7.116 -10.404 1.00 0.00 C ATOM 1111 OE1 GLN A 69 -0.857 7.870 -10.491 1.00 0.00 O ATOM 1112 NE2 GLN A 69 -2.966 7.485 -9.874 1.00 0.00 N ATOM 0 H GLN A 69 -3.908 3.490 -11.886 1.00 0.00 H new ATOM 0 HA GLN A 69 -1.664 3.904 -13.778 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -1.160 5.953 -12.897 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -2.889 6.001 -12.613 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -2.438 5.081 -10.282 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -0.728 5.298 -10.597 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -3.741 6.823 -9.823 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -3.080 8.433 -9.514 1.00 0.00 H new ATOM 1121 N ARG A 70 -0.123 2.705 -12.177 1.00 0.00 N ATOM 1122 CA ARG A 70 0.675 1.895 -11.274 1.00 0.00 C ATOM 1123 C ARG A 70 1.221 2.750 -10.150 1.00 0.00 C ATOM 1124 O ARG A 70 1.519 3.941 -10.323 1.00 0.00 O ATOM 1125 CB ARG A 70 1.819 1.150 -11.996 1.00 0.00 C ATOM 1126 CG ARG A 70 3.004 2.017 -12.422 1.00 0.00 C ATOM 1127 CD ARG A 70 2.625 2.978 -13.526 1.00 0.00 C ATOM 1128 NE ARG A 70 2.116 2.276 -14.703 1.00 0.00 N ATOM 1129 CZ ARG A 70 1.448 2.853 -15.699 1.00 0.00 C ATOM 1130 NH1 ARG A 70 1.214 4.160 -15.678 1.00 0.00 N ATOM 1131 NH2 ARG A 70 1.019 2.119 -16.714 1.00 0.00 N ATOM 0 H ARG A 70 0.310 2.903 -13.079 1.00 0.00 H new ATOM 0 HA ARG A 70 0.017 1.131 -10.860 1.00 0.00 H new ATOM 0 HB2 ARG A 70 2.186 0.361 -11.340 1.00 0.00 H new ATOM 0 HB3 ARG A 70 1.410 0.664 -12.882 1.00 0.00 H new ATOM 0 HG2 ARG A 70 3.373 2.577 -11.563 1.00 0.00 H new ATOM 0 HG3 ARG A 70 3.820 1.378 -12.760 1.00 0.00 H new ATOM 0 HD2 ARG A 70 1.868 3.672 -13.160 1.00 0.00 H new ATOM 0 HD3 ARG A 70 3.495 3.573 -13.805 1.00 0.00 H new ATOM 0 HE ARG A 70 2.285 1.272 -14.765 1.00 0.00 H new ATOM 0 HH11 ARG A 70 1.547 4.725 -14.897 1.00 0.00 H new ATOM 0 HH12 ARG A 70 0.702 4.599 -16.443 1.00 0.00 H new ATOM 0 HH21 ARG A 70 1.201 1.115 -16.730 1.00 0.00 H new ATOM 0 HH22 ARG A 70 0.507 2.557 -17.479 1.00 0.00 H new ATOM 1145 N ILE A 71 1.343 2.165 -9.003 1.00 0.00 N ATOM 1146 CA ILE A 71 1.816 2.876 -7.852 1.00 0.00 C ATOM 1147 C ILE A 71 3.322 2.722 -7.719 1.00 0.00 C ATOM 1148 O ILE A 71 3.838 1.615 -7.582 1.00 0.00 O ATOM 1149 CB ILE A 71 1.145 2.368 -6.564 1.00 0.00 C ATOM 1150 CG1 ILE A 71 -0.379 2.239 -6.745 1.00 0.00 C ATOM 1151 CG2 ILE A 71 1.468 3.294 -5.415 1.00 0.00 C ATOM 1152 CD1 ILE A 71 -1.069 3.512 -7.196 1.00 0.00 C ATOM 0 H ILE A 71 1.119 1.184 -8.834 1.00 0.00 H new ATOM 0 HA ILE A 71 1.561 3.927 -7.990 1.00 0.00 H new ATOM 0 HB ILE A 71 1.537 1.376 -6.340 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -0.580 1.454 -7.474 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -0.818 1.918 -5.801 1.00 0.00 H new ATOM 0 HG21 ILE A 71 0.989 2.928 -4.507 1.00 0.00 H new ATOM 0 HG22 ILE A 71 2.547 3.328 -5.268 1.00 0.00 H new ATOM 0 HG23 ILE A 71 1.101 4.295 -5.640 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -2.139 3.330 -7.298 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -0.903 4.297 -6.458 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -0.662 3.826 -8.157 1.00 0.00 H new ATOM 1164 N ALA A 72 4.034 3.827 -7.762 1.00 0.00 N ATOM 1165 CA ALA A 72 5.461 3.793 -7.621 1.00 0.00 C ATOM 1166 C ALA A 72 5.824 4.044 -6.177 1.00 0.00 C ATOM 1167 O ALA A 72 5.019 4.571 -5.411 1.00 0.00 O ATOM 1168 CB ALA A 72 6.105 4.818 -8.528 1.00 0.00 C ATOM 0 H ALA A 72 3.641 4.759 -7.894 1.00 0.00 H new ATOM 0 HA ALA A 72 5.833 2.811 -7.913 1.00 0.00 H new ATOM 0 HB1 ALA A 72 7.188 4.780 -8.409 1.00 0.00 H new ATOM 0 HB2 ALA A 72 5.846 4.601 -9.564 1.00 0.00 H new ATOM 0 HB3 ALA A 72 5.746 5.813 -8.265 1.00 0.00 H new ATOM 1174 N ASP A 73 7.026 3.676 -5.795 1.00 0.00 N ATOM 1175 CA ASP A 73 7.470 3.828 -4.414 1.00 0.00 C ATOM 1176 C ASP A 73 7.622 5.294 -4.035 1.00 0.00 C ATOM 1177 O ASP A 73 7.573 5.658 -2.865 1.00 0.00 O ATOM 1178 CB ASP A 73 8.781 3.069 -4.191 1.00 0.00 C ATOM 1179 CG ASP A 73 8.605 1.580 -4.385 1.00 0.00 C ATOM 1180 OD1 ASP A 73 7.730 0.992 -3.720 1.00 0.00 O ATOM 1181 OD2 ASP A 73 9.296 1.004 -5.241 1.00 0.00 O ATOM 0 H ASP A 73 7.722 3.267 -6.419 1.00 0.00 H new ATOM 0 HA ASP A 73 6.705 3.401 -3.766 1.00 0.00 H new ATOM 0 HB2 ASP A 73 9.538 3.439 -4.883 1.00 0.00 H new ATOM 0 HB3 ASP A 73 9.147 3.264 -3.183 1.00 0.00 H new ATOM 1186 N ASN A 74 7.770 6.145 -5.029 1.00 0.00 N ATOM 1187 CA ASN A 74 7.936 7.567 -4.789 1.00 0.00 C ATOM 1188 C ASN A 74 6.626 8.289 -5.016 1.00 0.00 C ATOM 1189 O ASN A 74 6.559 9.518 -4.980 1.00 0.00 O ATOM 1190 CB ASN A 74 9.017 8.141 -5.701 1.00 0.00 C ATOM 1191 CG ASN A 74 10.232 7.261 -5.746 1.00 0.00 C ATOM 1192 OD1 ASN A 74 11.168 7.425 -4.966 1.00 0.00 O ATOM 1193 ND2 ASN A 74 10.222 6.315 -6.657 1.00 0.00 N ATOM 0 H ASN A 74 7.779 5.878 -6.013 1.00 0.00 H new ATOM 0 HA ASN A 74 8.245 7.710 -3.753 1.00 0.00 H new ATOM 0 HB2 ASN A 74 8.617 8.261 -6.708 1.00 0.00 H new ATOM 0 HB3 ASN A 74 9.300 9.133 -5.350 1.00 0.00 H new ATOM 0 HD21 ASN A 74 11.014 5.678 -6.739 1.00 0.00 H new ATOM 0 HD22 ASN A 74 9.422 6.218 -7.282 1.00 0.00 H new ATOM 1200 N HIS A 75 5.566 7.520 -5.242 1.00 0.00 N ATOM 1201 CA HIS A 75 4.245 8.096 -5.439 1.00 0.00 C ATOM 1202 C HIS A 75 3.630 8.363 -4.097 1.00 0.00 C ATOM 1203 O HIS A 75 3.887 7.645 -3.145 1.00 0.00 O ATOM 1204 CB HIS A 75 3.338 7.160 -6.247 1.00 0.00 C ATOM 1205 CG HIS A 75 3.279 7.472 -7.712 1.00 0.00 C ATOM 1206 ND1 HIS A 75 2.566 6.709 -8.618 1.00 0.00 N ATOM 1207 CD2 HIS A 75 3.827 8.480 -8.427 1.00 0.00 C ATOM 1208 CE1 HIS A 75 2.687 7.231 -9.819 1.00 0.00 C ATOM 1209 NE2 HIS A 75 3.445 8.305 -9.732 1.00 0.00 N ATOM 0 H HIS A 75 5.597 6.502 -5.293 1.00 0.00 H new ATOM 0 HA HIS A 75 4.349 9.023 -6.002 1.00 0.00 H new ATOM 0 HB2 HIS A 75 3.687 6.135 -6.119 1.00 0.00 H new ATOM 0 HB3 HIS A 75 2.329 7.207 -5.836 1.00 0.00 H new ATOM 0 HD2 HIS A 75 4.449 9.274 -8.042 1.00 0.00 H new ATOM 0 HE1 HIS A 75 2.241 6.845 -10.723 1.00 0.00 H new ATOM 0 HE2 HIS A 75 3.706 8.910 -10.511 1.00 0.00 H new ATOM 1218 N THR A 76 2.861 9.407 -3.993 1.00 0.00 N ATOM 1219 CA THR A 76 2.218 9.736 -2.731 1.00 0.00 C ATOM 1220 C THR A 76 0.706 9.704 -2.853 1.00 0.00 C ATOM 1221 O THR A 76 0.160 9.915 -3.942 1.00 0.00 O ATOM 1222 CB THR A 76 2.656 11.127 -2.240 1.00 0.00 C ATOM 1223 OG1 THR A 76 2.312 12.112 -3.213 1.00 0.00 O ATOM 1224 CG2 THR A 76 4.144 11.154 -2.020 1.00 0.00 C ATOM 0 H THR A 76 2.657 10.051 -4.758 1.00 0.00 H new ATOM 0 HA THR A 76 2.528 8.981 -2.008 1.00 0.00 H new ATOM 0 HB THR A 76 2.147 11.342 -1.301 1.00 0.00 H new ATOM 0 HG1 THR A 76 3.124 12.569 -3.517 1.00 0.00 H new ATOM 0 HG21 THR A 76 4.443 12.143 -1.673 1.00 0.00 H new ATOM 0 HG22 THR A 76 4.415 10.410 -1.271 1.00 0.00 H new ATOM 0 HG23 THR A 76 4.654 10.929 -2.956 1.00 0.00 H new ATOM 1232 N PRO A 77 0.002 9.431 -1.735 1.00 0.00 N ATOM 1233 CA PRO A 77 -1.458 9.402 -1.712 1.00 0.00 C ATOM 1234 C PRO A 77 -2.048 10.726 -2.177 1.00 0.00 C ATOM 1235 O PRO A 77 -3.014 10.763 -2.931 1.00 0.00 O ATOM 1236 CB PRO A 77 -1.795 9.174 -0.233 1.00 0.00 C ATOM 1237 CG PRO A 77 -0.578 8.566 0.360 1.00 0.00 C ATOM 1238 CD PRO A 77 0.584 9.114 -0.412 1.00 0.00 C ATOM 0 HA PRO A 77 -1.863 8.638 -2.375 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -2.046 10.112 0.262 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -2.656 8.515 -0.123 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -0.495 8.815 1.418 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -0.613 7.479 0.291 1.00 0.00 H new ATOM 0 HD2 PRO A 77 1.001 10.001 0.066 1.00 0.00 H new ATOM 0 HD3 PRO A 77 1.391 8.386 -0.493 1.00 0.00 H new ATOM 1246 N LYS A 78 -1.439 11.820 -1.741 1.00 0.00 N ATOM 1247 CA LYS A 78 -1.910 13.155 -2.088 1.00 0.00 C ATOM 1248 C LYS A 78 -1.785 13.403 -3.590 1.00 0.00 C ATOM 1249 O LYS A 78 -2.683 13.964 -4.221 1.00 0.00 O ATOM 1250 CB LYS A 78 -1.110 14.208 -1.324 1.00 0.00 C ATOM 1251 CG LYS A 78 0.360 14.150 -1.639 1.00 0.00 C ATOM 1252 CD LYS A 78 1.108 15.353 -1.145 1.00 0.00 C ATOM 1253 CE LYS A 78 2.471 15.390 -1.789 1.00 0.00 C ATOM 1254 NZ LYS A 78 3.312 16.496 -1.274 1.00 0.00 N ATOM 0 H LYS A 78 -0.613 11.809 -1.143 1.00 0.00 H new ATOM 0 HA LYS A 78 -2.962 13.228 -1.811 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -1.492 15.199 -1.568 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -1.256 14.065 -0.253 1.00 0.00 H new ATOM 0 HG2 LYS A 78 0.788 13.253 -1.192 1.00 0.00 H new ATOM 0 HG3 LYS A 78 0.493 14.063 -2.717 1.00 0.00 H new ATOM 0 HD2 LYS A 78 0.556 16.262 -1.383 1.00 0.00 H new ATOM 0 HD3 LYS A 78 1.206 15.314 -0.060 1.00 0.00 H new ATOM 0 HE2 LYS A 78 2.978 14.441 -1.614 1.00 0.00 H new ATOM 0 HE3 LYS A 78 2.357 15.497 -2.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 4.238 16.478 -1.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 2.844 17.405 -1.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 3.446 16.382 -0.249 1.00 0.00 H new ATOM 1268 N GLU A 79 -0.681 12.956 -4.174 1.00 0.00 N ATOM 1269 CA GLU A 79 -0.432 13.178 -5.574 1.00 0.00 C ATOM 1270 C GLU A 79 -1.306 12.301 -6.436 1.00 0.00 C ATOM 1271 O GLU A 79 -1.751 12.709 -7.505 1.00 0.00 O ATOM 1272 CB GLU A 79 1.028 12.951 -5.917 1.00 0.00 C ATOM 1273 CG GLU A 79 1.922 14.115 -5.553 1.00 0.00 C ATOM 1274 CD GLU A 79 1.413 15.428 -6.101 1.00 0.00 C ATOM 1275 OE1 GLU A 79 1.205 15.524 -7.325 1.00 0.00 O ATOM 1276 OE2 GLU A 79 1.228 16.374 -5.316 1.00 0.00 O ATOM 0 H GLU A 79 0.052 12.437 -3.690 1.00 0.00 H new ATOM 0 HA GLU A 79 -0.679 14.219 -5.780 1.00 0.00 H new ATOM 0 HB2 GLU A 79 1.380 12.058 -5.400 1.00 0.00 H new ATOM 0 HB3 GLU A 79 1.116 12.756 -6.986 1.00 0.00 H new ATOM 0 HG2 GLU A 79 2.000 14.184 -4.468 1.00 0.00 H new ATOM 0 HG3 GLU A 79 2.926 13.931 -5.934 1.00 0.00 H new ATOM 1283 N LEU A 80 -1.562 11.086 -5.979 1.00 0.00 N ATOM 1284 CA LEU A 80 -2.383 10.165 -6.747 1.00 0.00 C ATOM 1285 C LEU A 80 -3.866 10.458 -6.558 1.00 0.00 C ATOM 1286 O LEU A 80 -4.721 9.800 -7.140 1.00 0.00 O ATOM 1287 CB LEU A 80 -2.067 8.704 -6.398 1.00 0.00 C ATOM 1288 CG LEU A 80 -0.588 8.285 -6.498 1.00 0.00 C ATOM 1289 CD1 LEU A 80 -0.467 6.798 -6.743 1.00 0.00 C ATOM 1290 CD2 LEU A 80 0.141 9.060 -7.575 1.00 0.00 C ATOM 0 H LEU A 80 -1.218 10.718 -5.092 1.00 0.00 H new ATOM 0 HA LEU A 80 -2.141 10.315 -7.799 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -2.409 8.513 -5.381 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -2.651 8.061 -7.056 1.00 0.00 H new ATOM 0 HG LEU A 80 -0.117 8.521 -5.543 1.00 0.00 H new ATOM 0 HD11 LEU A 80 0.586 6.525 -6.810 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.931 6.255 -5.920 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -0.969 6.541 -7.676 1.00 0.00 H new ATOM 0 HD21 LEU A 80 1.181 8.737 -7.615 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.333 8.877 -8.539 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.101 10.125 -7.347 1.00 0.00 H new ATOM 1302 N GLY A 81 -4.171 11.457 -5.738 1.00 0.00 N ATOM 1303 CA GLY A 81 -5.555 11.860 -5.534 1.00 0.00 C ATOM 1304 C GLY A 81 -6.304 10.942 -4.598 1.00 0.00 C ATOM 1305 O GLY A 81 -7.489 10.658 -4.799 1.00 0.00 O ATOM 0 H GLY A 81 -3.486 11.997 -5.209 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -5.577 12.874 -5.135 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -6.066 11.885 -6.496 1.00 0.00 H new ATOM 1309 N MET A 82 -5.627 10.477 -3.576 1.00 0.00 N ATOM 1310 CA MET A 82 -6.221 9.597 -2.589 1.00 0.00 C ATOM 1311 C MET A 82 -6.598 10.391 -1.351 1.00 0.00 C ATOM 1312 O MET A 82 -6.161 11.535 -1.172 1.00 0.00 O ATOM 1313 CB MET A 82 -5.236 8.494 -2.204 1.00 0.00 C ATOM 1314 CG MET A 82 -4.814 7.605 -3.357 1.00 0.00 C ATOM 1315 SD MET A 82 -3.461 6.500 -2.909 1.00 0.00 S ATOM 1316 CE MET A 82 -3.136 5.713 -4.480 1.00 0.00 C ATOM 0 H MET A 82 -4.646 10.696 -3.402 1.00 0.00 H new ATOM 0 HA MET A 82 -7.115 9.144 -3.018 1.00 0.00 H new ATOM 0 HB2 MET A 82 -4.347 8.952 -1.769 1.00 0.00 H new ATOM 0 HB3 MET A 82 -5.687 7.874 -1.429 1.00 0.00 H new ATOM 0 HG2 MET A 82 -5.668 7.014 -3.689 1.00 0.00 H new ATOM 0 HG3 MET A 82 -4.509 8.226 -4.199 1.00 0.00 H new ATOM 0 HE1 MET A 82 -2.110 5.346 -4.498 1.00 0.00 H new ATOM 0 HE2 MET A 82 -3.822 4.878 -4.617 1.00 0.00 H new ATOM 0 HE3 MET A 82 -3.277 6.435 -5.285 1.00 0.00 H new ATOM 1326 N GLU A 83 -7.406 9.802 -0.503 1.00 0.00 N ATOM 1327 CA GLU A 83 -7.814 10.431 0.737 1.00 0.00 C ATOM 1328 C GLU A 83 -8.035 9.368 1.799 1.00 0.00 C ATOM 1329 O GLU A 83 -7.712 8.199 1.591 1.00 0.00 O ATOM 1330 CB GLU A 83 -9.085 11.249 0.528 1.00 0.00 C ATOM 1331 CG GLU A 83 -10.264 10.441 0.020 1.00 0.00 C ATOM 1332 CD GLU A 83 -11.505 11.277 -0.117 1.00 0.00 C ATOM 1333 OE1 GLU A 83 -11.690 11.897 -1.175 1.00 0.00 O ATOM 1334 OE2 GLU A 83 -12.297 11.334 0.844 1.00 0.00 O ATOM 0 H GLU A 83 -7.801 8.873 -0.650 1.00 0.00 H new ATOM 0 HA GLU A 83 -7.026 11.107 1.069 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -9.360 11.720 1.472 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -8.876 12.051 -0.180 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -10.014 10.004 -0.946 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -10.458 9.614 0.704 1.00 0.00 H new ATOM 1341 N GLU A 84 -8.580 9.752 2.941 1.00 0.00 N ATOM 1342 CA GLU A 84 -8.815 8.792 3.993 1.00 0.00 C ATOM 1343 C GLU A 84 -9.950 7.852 3.626 1.00 0.00 C ATOM 1344 O GLU A 84 -10.954 8.261 3.031 1.00 0.00 O ATOM 1345 CB GLU A 84 -9.078 9.473 5.342 1.00 0.00 C ATOM 1346 CG GLU A 84 -10.401 10.207 5.440 1.00 0.00 C ATOM 1347 CD GLU A 84 -10.591 10.866 6.784 1.00 0.00 C ATOM 1348 OE1 GLU A 84 -10.698 10.147 7.789 1.00 0.00 O ATOM 1349 OE2 GLU A 84 -10.631 12.115 6.838 1.00 0.00 O ATOM 0 H GLU A 84 -8.863 10.708 3.157 1.00 0.00 H new ATOM 0 HA GLU A 84 -7.905 8.202 4.103 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -9.039 8.718 6.127 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -8.272 10.180 5.539 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -10.454 10.963 4.656 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -11.217 9.506 5.263 1.00 0.00 H new ATOM 1356 N GLU A 85 -9.744 6.579 3.937 1.00 0.00 N ATOM 1357 CA GLU A 85 -10.698 5.500 3.704 1.00 0.00 C ATOM 1358 C GLU A 85 -10.670 5.033 2.244 1.00 0.00 C ATOM 1359 O GLU A 85 -11.380 4.098 1.866 1.00 0.00 O ATOM 1360 CB GLU A 85 -12.115 5.899 4.131 1.00 0.00 C ATOM 1361 CG GLU A 85 -12.851 4.803 4.865 1.00 0.00 C ATOM 1362 CD GLU A 85 -12.164 4.415 6.161 1.00 0.00 C ATOM 1363 OE1 GLU A 85 -12.238 5.193 7.140 1.00 0.00 O ATOM 1364 OE2 GLU A 85 -11.541 3.334 6.208 1.00 0.00 O ATOM 0 H GLU A 85 -8.880 6.257 4.373 1.00 0.00 H new ATOM 0 HA GLU A 85 -10.393 4.659 4.326 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -12.059 6.780 4.770 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -12.687 6.182 3.247 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -13.868 5.132 5.080 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -12.929 3.927 4.221 1.00 0.00 H new ATOM 1371 N ASP A 86 -9.844 5.691 1.424 1.00 0.00 N ATOM 1372 CA ASP A 86 -9.700 5.338 0.000 1.00 0.00 C ATOM 1373 C ASP A 86 -9.229 3.891 -0.169 1.00 0.00 C ATOM 1374 O ASP A 86 -8.704 3.271 0.764 1.00 0.00 O ATOM 1375 CB ASP A 86 -8.720 6.282 -0.694 1.00 0.00 C ATOM 1376 CG ASP A 86 -9.057 6.520 -2.155 1.00 0.00 C ATOM 1377 OD1 ASP A 86 -9.553 5.587 -2.825 1.00 0.00 O ATOM 1378 OD2 ASP A 86 -8.834 7.651 -2.636 1.00 0.00 O ATOM 0 H ASP A 86 -9.261 6.474 1.720 1.00 0.00 H new ATOM 0 HA ASP A 86 -10.682 5.439 -0.463 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -8.711 7.237 -0.169 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -7.714 5.869 -0.622 1.00 0.00 H new ATOM 1383 N VAL A 87 -9.404 3.357 -1.357 1.00 0.00 N ATOM 1384 CA VAL A 87 -9.064 1.980 -1.638 1.00 0.00 C ATOM 1385 C VAL A 87 -8.192 1.866 -2.894 1.00 0.00 C ATOM 1386 O VAL A 87 -8.375 2.599 -3.870 1.00 0.00 O ATOM 1387 CB VAL A 87 -10.349 1.124 -1.814 1.00 0.00 C ATOM 1388 CG1 VAL A 87 -11.211 1.672 -2.943 1.00 0.00 C ATOM 1389 CG2 VAL A 87 -10.006 -0.338 -2.059 1.00 0.00 C ATOM 0 H VAL A 87 -9.786 3.865 -2.155 1.00 0.00 H new ATOM 0 HA VAL A 87 -8.496 1.603 -0.788 1.00 0.00 H new ATOM 0 HB VAL A 87 -10.920 1.183 -0.887 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -12.105 1.058 -3.049 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -11.500 2.698 -2.715 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -10.645 1.653 -3.875 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -10.925 -0.912 -2.178 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -9.404 -0.424 -2.964 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -9.443 -0.727 -1.211 1.00 0.00 H new ATOM 1399 N ILE A 88 -7.252 0.941 -2.867 1.00 0.00 N ATOM 1400 CA ILE A 88 -6.358 0.714 -3.985 1.00 0.00 C ATOM 1401 C ILE A 88 -6.624 -0.675 -4.564 1.00 0.00 C ATOM 1402 O ILE A 88 -7.092 -1.578 -3.854 1.00 0.00 O ATOM 1403 CB ILE A 88 -4.863 0.834 -3.556 1.00 0.00 C ATOM 1404 CG1 ILE A 88 -4.639 2.118 -2.758 1.00 0.00 C ATOM 1405 CG2 ILE A 88 -3.937 0.802 -4.762 1.00 0.00 C ATOM 1406 CD1 ILE A 88 -4.696 1.919 -1.261 1.00 0.00 C ATOM 0 H ILE A 88 -7.087 0.326 -2.070 1.00 0.00 H new ATOM 0 HA ILE A 88 -6.547 1.477 -4.740 1.00 0.00 H new ATOM 0 HB ILE A 88 -4.629 -0.024 -2.925 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -3.668 2.536 -3.024 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -5.392 2.851 -3.047 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -2.903 0.888 -4.429 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -4.069 -0.138 -5.297 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -4.175 1.634 -5.425 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -4.528 2.873 -0.761 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -5.676 1.530 -0.983 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -3.925 1.210 -0.959 1.00 0.00 H new ATOM 1418 N GLU A 89 -6.328 -0.863 -5.834 1.00 0.00 N ATOM 1419 CA GLU A 89 -6.596 -2.121 -6.493 1.00 0.00 C ATOM 1420 C GLU A 89 -5.297 -2.868 -6.740 1.00 0.00 C ATOM 1421 O GLU A 89 -4.279 -2.266 -7.091 1.00 0.00 O ATOM 1422 CB GLU A 89 -7.314 -1.876 -7.814 1.00 0.00 C ATOM 1423 CG GLU A 89 -7.818 -3.138 -8.476 1.00 0.00 C ATOM 1424 CD GLU A 89 -8.956 -3.774 -7.721 1.00 0.00 C ATOM 1425 OE1 GLU A 89 -10.074 -3.214 -7.742 1.00 0.00 O ATOM 1426 OE2 GLU A 89 -8.754 -4.841 -7.122 1.00 0.00 O ATOM 0 H GLU A 89 -5.900 -0.156 -6.431 1.00 0.00 H new ATOM 0 HA GLU A 89 -7.235 -2.726 -5.849 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -8.156 -1.206 -7.641 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -6.635 -1.365 -8.497 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -8.144 -2.907 -9.490 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -6.999 -3.852 -8.560 1.00 0.00 H new ATOM 1433 N VAL A 90 -5.303 -4.166 -6.521 1.00 0.00 N ATOM 1434 CA VAL A 90 -4.127 -4.964 -6.750 1.00 0.00 C ATOM 1435 C VAL A 90 -4.457 -6.189 -7.584 1.00 0.00 C ATOM 1436 O VAL A 90 -5.430 -6.896 -7.329 1.00 0.00 O ATOM 1437 CB VAL A 90 -3.488 -5.405 -5.421 1.00 0.00 C ATOM 1438 CG1 VAL A 90 -2.268 -6.283 -5.658 1.00 0.00 C ATOM 1439 CG2 VAL A 90 -3.126 -4.194 -4.581 1.00 0.00 C ATOM 0 H VAL A 90 -6.112 -4.687 -6.184 1.00 0.00 H new ATOM 0 HA VAL A 90 -3.415 -4.344 -7.294 1.00 0.00 H new ATOM 0 HB VAL A 90 -4.221 -6.000 -4.875 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -1.840 -6.577 -4.700 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -2.563 -7.174 -6.213 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -1.526 -5.728 -6.231 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -2.675 -4.522 -3.644 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -2.417 -3.572 -5.127 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -4.026 -3.617 -4.368 1.00 0.00 H new ATOM 1449 N TYR A 91 -3.639 -6.445 -8.570 1.00 0.00 N ATOM 1450 CA TYR A 91 -3.816 -7.574 -9.448 1.00 0.00 C ATOM 1451 C TYR A 91 -2.610 -8.483 -9.350 1.00 0.00 C ATOM 1452 O TYR A 91 -1.712 -8.240 -8.557 1.00 0.00 O ATOM 1453 CB TYR A 91 -4.025 -7.113 -10.883 1.00 0.00 C ATOM 1454 CG TYR A 91 -5.344 -6.420 -11.121 1.00 0.00 C ATOM 1455 CD1 TYR A 91 -6.494 -7.152 -11.384 1.00 0.00 C ATOM 1456 CD2 TYR A 91 -5.438 -5.037 -11.104 1.00 0.00 C ATOM 1457 CE1 TYR A 91 -7.700 -6.524 -11.618 1.00 0.00 C ATOM 1458 CE2 TYR A 91 -6.639 -4.402 -11.342 1.00 0.00 C ATOM 1459 CZ TYR A 91 -7.766 -5.149 -11.597 1.00 0.00 C ATOM 1460 OH TYR A 91 -8.965 -4.518 -11.842 1.00 0.00 O ATOM 0 H TYR A 91 -2.824 -5.872 -8.789 1.00 0.00 H new ATOM 0 HA TYR A 91 -4.705 -8.126 -9.142 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -3.216 -6.436 -11.157 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -3.956 -7.977 -11.545 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -6.444 -8.231 -11.406 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -4.556 -4.447 -10.901 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -8.587 -7.108 -11.816 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -6.695 -3.324 -11.328 1.00 0.00 H new ATOM 0 HH TYR A 91 -8.841 -3.547 -11.789 1.00 0.00 H new ATOM 1470 N GLN A 92 -2.582 -9.535 -10.125 1.00 0.00 N ATOM 1471 CA GLN A 92 -1.475 -10.466 -10.086 1.00 0.00 C ATOM 1472 C GLN A 92 -0.623 -10.334 -11.350 1.00 0.00 C ATOM 1473 O GLN A 92 -1.126 -9.974 -12.411 1.00 0.00 O ATOM 1474 CB GLN A 92 -2.003 -11.899 -9.969 1.00 0.00 C ATOM 1475 CG GLN A 92 -0.999 -12.885 -9.399 1.00 0.00 C ATOM 1476 CD GLN A 92 -0.853 -12.765 -7.893 1.00 0.00 C ATOM 1477 OE1 GLN A 92 -1.547 -13.433 -7.143 1.00 0.00 O ATOM 1478 NE2 GLN A 92 0.048 -11.913 -7.444 1.00 0.00 N ATOM 0 H GLN A 92 -3.314 -9.773 -10.795 1.00 0.00 H new ATOM 0 HA GLN A 92 -0.857 -10.236 -9.218 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -2.892 -11.897 -9.338 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -2.313 -12.242 -10.956 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -1.309 -13.899 -9.651 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -0.029 -12.722 -9.868 1.00 0.00 H new ATOM 0 HE21 GLN A 92 0.610 -11.372 -8.101 1.00 0.00 H new ATOM 0 HE22 GLN A 92 0.183 -11.795 -6.440 1.00 0.00 H new ATOM 1487 N GLU A 93 0.677 -10.577 -11.220 1.00 0.00 N ATOM 1488 CA GLU A 93 1.578 -10.597 -12.373 1.00 0.00 C ATOM 1489 C GLU A 93 2.551 -11.774 -12.267 1.00 0.00 C ATOM 1490 O GLU A 93 3.608 -11.799 -12.899 1.00 0.00 O ATOM 1491 CB GLU A 93 2.323 -9.259 -12.551 1.00 0.00 C ATOM 1492 CG GLU A 93 3.159 -8.811 -11.365 1.00 0.00 C ATOM 1493 CD GLU A 93 3.943 -7.543 -11.668 1.00 0.00 C ATOM 1494 OE1 GLU A 93 5.072 -7.646 -12.183 1.00 0.00 O ATOM 1495 OE2 GLU A 93 3.426 -6.439 -11.414 1.00 0.00 O ATOM 0 H GLU A 93 1.133 -10.763 -10.327 1.00 0.00 H new ATOM 0 HA GLU A 93 0.971 -10.733 -13.268 1.00 0.00 H new ATOM 0 HB2 GLU A 93 2.974 -9.339 -13.422 1.00 0.00 H new ATOM 0 HB3 GLU A 93 1.591 -8.482 -12.771 1.00 0.00 H new ATOM 0 HG2 GLU A 93 2.509 -8.639 -10.507 1.00 0.00 H new ATOM 0 HG3 GLU A 93 3.850 -9.607 -11.087 1.00 0.00 H new ATOM 1502 N GLN A 94 2.170 -12.761 -11.451 1.00 0.00 N ATOM 1503 CA GLN A 94 2.940 -13.997 -11.276 1.00 0.00 C ATOM 1504 C GLN A 94 2.864 -14.871 -12.547 1.00 0.00 C ATOM 1505 O GLN A 94 2.729 -14.367 -13.664 1.00 0.00 O ATOM 1506 CB GLN A 94 2.397 -14.786 -10.068 1.00 0.00 C ATOM 1507 CG GLN A 94 2.603 -14.106 -8.735 1.00 0.00 C ATOM 1508 CD GLN A 94 1.961 -14.865 -7.589 1.00 0.00 C ATOM 1509 OE1 GLN A 94 0.940 -15.527 -7.762 1.00 0.00 O ATOM 1510 NE2 GLN A 94 2.562 -14.790 -6.418 1.00 0.00 N ATOM 0 H GLN A 94 1.318 -12.726 -10.892 1.00 0.00 H new ATOM 0 HA GLN A 94 3.982 -13.733 -11.097 1.00 0.00 H new ATOM 0 HB2 GLN A 94 1.331 -14.960 -10.213 1.00 0.00 H new ATOM 0 HB3 GLN A 94 2.879 -15.764 -10.042 1.00 0.00 H new ATOM 0 HG2 GLN A 94 3.671 -14.003 -8.545 1.00 0.00 H new ATOM 0 HG3 GLN A 94 2.188 -13.099 -8.777 1.00 0.00 H new ATOM 0 HE21 GLN A 94 3.408 -14.230 -6.314 1.00 0.00 H new ATOM 0 HE22 GLN A 94 2.181 -15.292 -5.616 1.00 0.00 H new ATOM 1519 N THR A 95 2.928 -16.174 -12.373 1.00 0.00 N ATOM 1520 CA THR A 95 2.887 -17.099 -13.479 1.00 0.00 C ATOM 1521 C THR A 95 2.368 -18.450 -12.986 1.00 0.00 C ATOM 1522 O THR A 95 2.446 -18.750 -11.793 1.00 0.00 O ATOM 1523 CB THR A 95 4.290 -17.263 -14.122 1.00 0.00 C ATOM 1524 OG1 THR A 95 4.211 -18.101 -15.284 1.00 0.00 O ATOM 1525 CG2 THR A 95 5.280 -17.859 -13.126 1.00 0.00 C ATOM 0 H THR A 95 3.010 -16.619 -11.459 1.00 0.00 H new ATOM 0 HA THR A 95 2.216 -16.705 -14.243 1.00 0.00 H new ATOM 0 HB THR A 95 4.643 -16.274 -14.415 1.00 0.00 H new ATOM 0 HG1 THR A 95 5.102 -18.195 -15.681 1.00 0.00 H new ATOM 0 HG21 THR A 95 6.255 -17.964 -13.601 1.00 0.00 H new ATOM 0 HG22 THR A 95 5.366 -17.201 -12.261 1.00 0.00 H new ATOM 0 HG23 THR A 95 4.927 -18.838 -12.803 1.00 0.00 H new ATOM 1533 N GLY A 96 1.829 -19.254 -13.884 1.00 0.00 N ATOM 1534 CA GLY A 96 1.296 -20.541 -13.499 1.00 0.00 C ATOM 1535 C GLY A 96 0.972 -21.400 -14.698 1.00 0.00 C ATOM 1536 O GLY A 96 1.581 -21.254 -15.758 1.00 0.00 O ATOM 0 H GLY A 96 1.750 -19.038 -14.878 1.00 0.00 H new ATOM 0 HA2 GLY A 96 2.018 -21.058 -12.867 1.00 0.00 H new ATOM 0 HA3 GLY A 96 0.395 -20.397 -12.902 1.00 0.00 H new ATOM 1540 N GLY A 97 0.012 -22.292 -14.548 1.00 0.00 N ATOM 1541 CA GLY A 97 -0.356 -23.166 -15.636 1.00 0.00 C ATOM 1542 C GLY A 97 0.355 -24.493 -15.550 1.00 0.00 C ATOM 1543 O GLY A 97 0.654 -25.087 -16.605 1.00 0.00 O ATOM 1544 OXT GLY A 97 0.631 -24.950 -14.417 1.00 0.00 O ATOM 0 H GLY A 97 -0.521 -22.427 -13.689 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -1.434 -23.329 -15.623 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -0.117 -22.686 -16.585 1.00 0.00 H new TER 1548 GLY A 97