USER MOD reduce.3.24.130724 H: found=0, std=0, add=626, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 624 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 27 HIS :FLIP no HD1:sc= -0.253 X(o=-7.8,f=-7.3) USER MOD Set 1.2: A 31 HIS :FLIP no HD1:sc= -7.1! F(o=-8.4,f=-7.3!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ -151:sc= 0 (180deg=-0.00907) USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= -0.505 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= 0.0599 X(o=0.06,f=0) USER MOD Single : A 22 THR OG1 : rot 101:sc= 1.25 USER MOD Single : A 23 SER OG : rot 99:sc= 1.13 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ -109:sc=-0.00169 (180deg=-0.165) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= -0.0899 USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 42 SER OG : rot 170:sc= -1.54 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ -149:sc= 0 (180deg=-0.0178) USER MOD Single : A 45 CYS SG : rot 133:sc= -0.941 USER MOD Single : A 46 SER OG : rot -82:sc= 0.297 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 MET CE :methyl -104:sc= -1.02 (180deg=-1.91) USER MOD Single : A 53 SER OG : rot 180:sc= 0.024 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot -121:sc= 0.69 USER MOD Single : A 59 LYS NZ :NH3+ -129:sc= 0 (180deg=-0.159) USER MOD Single : A 63 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= -0.226 X(o=-0.23,f=-0.32) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -21.090 12.463 -0.255 1.00 0.00 N ATOM 2 CA MET A 1 -21.961 12.261 -1.449 1.00 0.00 C ATOM 3 C MET A 1 -22.283 13.607 -2.103 1.00 0.00 C ATOM 4 O MET A 1 -22.999 14.420 -1.550 1.00 0.00 O ATOM 5 CB MET A 1 -23.235 11.611 -0.906 1.00 0.00 C ATOM 6 CG MET A 1 -24.046 11.033 -2.066 1.00 0.00 C ATOM 7 SD MET A 1 -25.521 10.207 -1.419 1.00 0.00 S ATOM 8 CE MET A 1 -26.514 10.298 -2.929 1.00 0.00 C ATOM 0 H1 MET A 1 -20.878 11.542 0.180 1.00 0.00 H new ATOM 0 H2 MET A 1 -20.203 12.921 -0.546 1.00 0.00 H new ATOM 0 H3 MET A 1 -21.581 13.067 0.435 1.00 0.00 H new ATOM 0 HA MET A 1 -21.481 11.645 -2.210 1.00 0.00 H new ATOM 0 HB2 MET A 1 -22.980 10.823 -0.198 1.00 0.00 H new ATOM 0 HB3 MET A 1 -23.829 12.347 -0.364 1.00 0.00 H new ATOM 0 HG2 MET A 1 -24.334 11.828 -2.754 1.00 0.00 H new ATOM 0 HG3 MET A 1 -23.439 10.326 -2.631 1.00 0.00 H new ATOM 0 HE1 MET A 1 -27.486 9.837 -2.754 1.00 0.00 H new ATOM 0 HE2 MET A 1 -26.653 11.342 -3.211 1.00 0.00 H new ATOM 0 HE3 MET A 1 -26.002 9.770 -3.734 1.00 0.00 H new ATOM 20 N GLY A 2 -21.758 13.844 -3.278 1.00 0.00 N ATOM 21 CA GLY A 2 -22.026 15.134 -3.979 1.00 0.00 C ATOM 22 C GLY A 2 -21.795 14.955 -5.481 1.00 0.00 C ATOM 23 O GLY A 2 -20.947 15.601 -6.068 1.00 0.00 O ATOM 0 H GLY A 2 -21.153 13.196 -3.783 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -23.051 15.455 -3.793 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -21.372 15.914 -3.590 1.00 0.00 H new ATOM 27 N LYS A 3 -22.544 14.081 -6.105 1.00 0.00 N ATOM 28 CA LYS A 3 -22.374 13.851 -7.570 1.00 0.00 C ATOM 29 C LYS A 3 -23.261 14.815 -8.364 1.00 0.00 C ATOM 30 O LYS A 3 -22.934 15.205 -9.468 1.00 0.00 O ATOM 31 CB LYS A 3 -22.811 12.405 -7.800 1.00 0.00 C ATOM 32 CG LYS A 3 -22.435 11.980 -9.221 1.00 0.00 C ATOM 33 CD LYS A 3 -22.715 10.488 -9.402 1.00 0.00 C ATOM 34 CE LYS A 3 -22.033 9.992 -10.679 1.00 0.00 C ATOM 35 NZ LYS A 3 -22.118 8.507 -10.610 1.00 0.00 N ATOM 0 H LYS A 3 -23.268 13.516 -5.661 1.00 0.00 H new ATOM 0 HA LYS A 3 -21.348 14.022 -7.897 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -22.332 11.749 -7.074 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -23.887 12.311 -7.653 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -23.006 12.558 -9.947 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -21.381 12.188 -9.406 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -22.347 9.931 -8.540 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -23.789 10.313 -9.459 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -22.534 10.375 -11.568 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -20.997 10.326 -10.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -21.670 8.094 -11.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -21.627 8.170 -9.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -23.116 8.218 -10.571 1.00 0.00 H new ATOM 49 N GLY A 4 -24.381 15.197 -7.805 1.00 0.00 N ATOM 50 CA GLY A 4 -25.296 16.137 -8.518 1.00 0.00 C ATOM 51 C GLY A 4 -25.189 17.527 -7.891 1.00 0.00 C ATOM 52 O GLY A 4 -26.178 18.212 -7.709 1.00 0.00 O ATOM 0 H GLY A 4 -24.701 14.898 -6.884 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -25.036 16.182 -9.576 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -26.323 15.777 -8.458 1.00 0.00 H new ATOM 56 N ASP A 5 -23.994 17.946 -7.558 1.00 0.00 N ATOM 57 CA ASP A 5 -23.813 19.293 -6.939 1.00 0.00 C ATOM 58 C ASP A 5 -22.604 20.008 -7.565 1.00 0.00 C ATOM 59 O ASP A 5 -21.633 19.368 -7.921 1.00 0.00 O ATOM 60 CB ASP A 5 -23.561 19.014 -5.456 1.00 0.00 C ATOM 61 CG ASP A 5 -24.883 18.660 -4.771 1.00 0.00 C ATOM 62 OD1 ASP A 5 -25.641 19.572 -4.485 1.00 0.00 O ATOM 63 OD2 ASP A 5 -25.113 17.483 -4.544 1.00 0.00 O ATOM 0 H ASP A 5 -23.135 17.412 -7.689 1.00 0.00 H new ATOM 0 HA ASP A 5 -24.678 19.938 -7.093 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -22.851 18.195 -5.345 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -23.116 19.888 -4.981 1.00 0.00 H new ATOM 68 N PRO A 6 -22.693 21.316 -7.685 1.00 0.00 N ATOM 69 CA PRO A 6 -21.576 22.101 -8.279 1.00 0.00 C ATOM 70 C PRO A 6 -20.441 22.205 -7.275 1.00 0.00 C ATOM 71 O PRO A 6 -20.462 21.574 -6.239 1.00 0.00 O ATOM 72 CB PRO A 6 -22.170 23.494 -8.455 1.00 0.00 C ATOM 73 CG PRO A 6 -23.223 23.567 -7.402 1.00 0.00 C ATOM 74 CD PRO A 6 -23.813 22.190 -7.292 1.00 0.00 C ATOM 0 HA PRO A 6 -21.194 21.658 -9.199 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -21.416 24.270 -8.322 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -22.591 23.626 -9.452 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -22.798 23.884 -6.450 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -23.988 24.297 -7.668 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -24.155 21.977 -6.279 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -24.672 22.065 -7.951 1.00 0.00 H new ATOM 82 N ASN A 7 -19.490 23.063 -7.548 1.00 0.00 N ATOM 83 CA ASN A 7 -18.366 23.305 -6.591 1.00 0.00 C ATOM 84 C ASN A 7 -17.626 22.006 -6.227 1.00 0.00 C ATOM 85 O ASN A 7 -18.183 21.084 -5.667 1.00 0.00 O ATOM 86 CB ASN A 7 -19.047 23.937 -5.361 1.00 0.00 C ATOM 87 CG ASN A 7 -18.706 25.425 -5.289 1.00 0.00 C ATOM 88 OD1 ASN A 7 -17.928 25.847 -4.457 1.00 0.00 O ATOM 89 ND2 ASN A 7 -19.264 26.244 -6.140 1.00 0.00 N ATOM 0 H ASN A 7 -19.444 23.614 -8.405 1.00 0.00 H new ATOM 0 HA ASN A 7 -17.597 23.949 -7.017 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -20.127 23.805 -5.424 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -18.716 23.434 -4.452 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -19.047 27.240 -6.107 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -19.917 25.887 -6.838 1.00 0.00 H new ATOM 96 N LYS A 8 -16.351 21.945 -6.536 1.00 0.00 N ATOM 97 CA LYS A 8 -15.529 20.729 -6.221 1.00 0.00 C ATOM 98 C LYS A 8 -16.127 19.480 -6.891 1.00 0.00 C ATOM 99 O LYS A 8 -17.259 19.500 -7.328 1.00 0.00 O ATOM 100 CB LYS A 8 -15.545 20.582 -4.691 1.00 0.00 C ATOM 101 CG LYS A 8 -14.287 21.224 -4.101 1.00 0.00 C ATOM 102 CD LYS A 8 -14.488 21.458 -2.602 1.00 0.00 C ATOM 103 CE LYS A 8 -13.125 21.574 -1.915 1.00 0.00 C ATOM 104 NZ LYS A 8 -13.438 21.894 -0.494 1.00 0.00 N ATOM 0 H LYS A 8 -15.838 22.695 -6.999 1.00 0.00 H new ATOM 0 HA LYS A 8 -14.511 20.834 -6.597 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -16.435 21.057 -4.279 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -15.590 19.528 -4.417 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -13.425 20.578 -4.267 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -14.079 22.169 -4.603 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -15.067 22.367 -2.440 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -15.057 20.636 -2.168 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -12.561 20.644 -1.996 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -12.518 22.356 -2.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -12.553 21.989 0.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -13.969 22.787 -0.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -14.011 21.129 -0.084 1.00 0.00 H new ATOM 118 N PRO A 9 -15.341 18.423 -6.956 1.00 0.00 N ATOM 119 CA PRO A 9 -15.821 17.169 -7.588 1.00 0.00 C ATOM 120 C PRO A 9 -16.824 16.457 -6.675 1.00 0.00 C ATOM 121 O PRO A 9 -17.331 17.032 -5.731 1.00 0.00 O ATOM 122 CB PRO A 9 -14.550 16.337 -7.750 1.00 0.00 C ATOM 123 CG PRO A 9 -13.613 16.848 -6.704 1.00 0.00 C ATOM 124 CD PRO A 9 -13.958 18.294 -6.462 1.00 0.00 C ATOM 0 HA PRO A 9 -16.337 17.339 -8.533 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -14.754 15.275 -7.612 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -14.128 16.453 -8.748 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -13.711 16.270 -5.785 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -12.579 16.750 -7.033 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -13.887 18.549 -5.405 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -13.280 18.960 -6.996 1.00 0.00 H new ATOM 132 N ARG A 10 -17.109 15.210 -6.954 1.00 0.00 N ATOM 133 CA ARG A 10 -18.079 14.451 -6.108 1.00 0.00 C ATOM 134 C ARG A 10 -17.335 13.612 -5.064 1.00 0.00 C ATOM 135 O ARG A 10 -17.764 12.531 -4.705 1.00 0.00 O ATOM 136 CB ARG A 10 -18.846 13.549 -7.086 1.00 0.00 C ATOM 137 CG ARG A 10 -17.877 12.602 -7.811 1.00 0.00 C ATOM 138 CD ARG A 10 -17.752 13.011 -9.282 1.00 0.00 C ATOM 139 NE ARG A 10 -16.365 12.633 -9.671 1.00 0.00 N ATOM 140 CZ ARG A 10 -16.064 11.381 -9.881 1.00 0.00 C ATOM 141 NH1 ARG A 10 -16.351 10.825 -11.027 1.00 0.00 N ATOM 142 NH2 ARG A 10 -15.476 10.685 -8.947 1.00 0.00 N ATOM 0 H ARG A 10 -16.711 14.684 -7.732 1.00 0.00 H new ATOM 0 HA ARG A 10 -18.749 15.112 -5.558 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -19.595 12.970 -6.546 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -19.380 14.161 -7.813 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -16.899 12.632 -7.332 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -18.236 11.575 -7.739 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -18.489 12.496 -9.899 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -17.920 14.080 -9.410 1.00 0.00 H new ATOM 0 HE ARG A 10 -15.650 13.353 -9.773 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -16.810 11.369 -11.757 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -16.116 9.846 -11.192 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -15.251 11.120 -8.052 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -15.241 9.706 -9.112 1.00 0.00 H new ATOM 156 N GLY A 11 -16.224 14.105 -4.577 1.00 0.00 N ATOM 157 CA GLY A 11 -15.445 13.343 -3.556 1.00 0.00 C ATOM 158 C GLY A 11 -14.837 12.096 -4.201 1.00 0.00 C ATOM 159 O GLY A 11 -15.000 11.858 -5.382 1.00 0.00 O ATOM 0 H GLY A 11 -15.823 15.004 -4.844 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -14.657 13.972 -3.141 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -16.093 13.057 -2.728 1.00 0.00 H new ATOM 163 N LYS A 12 -14.137 11.302 -3.431 1.00 0.00 N ATOM 164 CA LYS A 12 -13.512 10.065 -3.991 1.00 0.00 C ATOM 165 C LYS A 12 -14.461 8.874 -3.828 1.00 0.00 C ATOM 166 O LYS A 12 -15.629 9.038 -3.534 1.00 0.00 O ATOM 167 CB LYS A 12 -12.241 9.855 -3.169 1.00 0.00 C ATOM 168 CG LYS A 12 -11.294 11.037 -3.381 1.00 0.00 C ATOM 169 CD LYS A 12 -10.387 11.192 -2.158 1.00 0.00 C ATOM 170 CE LYS A 12 -11.122 11.983 -1.074 1.00 0.00 C ATOM 171 NZ LYS A 12 -10.059 12.407 -0.121 1.00 0.00 N ATOM 0 H LYS A 12 -13.971 11.457 -2.437 1.00 0.00 H new ATOM 0 HA LYS A 12 -13.297 10.156 -5.056 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -12.490 9.760 -2.112 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -11.753 8.927 -3.466 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -10.692 10.878 -4.275 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -11.866 11.951 -3.540 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -10.102 10.211 -1.777 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -9.467 11.706 -2.437 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -11.640 12.844 -1.496 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -11.874 11.369 -0.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -10.464 12.499 0.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -9.301 11.695 -0.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -9.669 13.323 -0.421 1.00 0.00 H new ATOM 185 N MET A 13 -13.962 7.680 -4.018 1.00 0.00 N ATOM 186 CA MET A 13 -14.827 6.470 -3.876 1.00 0.00 C ATOM 187 C MET A 13 -14.128 5.418 -3.011 1.00 0.00 C ATOM 188 O MET A 13 -13.103 5.679 -2.409 1.00 0.00 O ATOM 189 CB MET A 13 -15.019 5.951 -5.302 1.00 0.00 C ATOM 190 CG MET A 13 -15.977 6.875 -6.056 1.00 0.00 C ATOM 191 SD MET A 13 -16.412 6.125 -7.645 1.00 0.00 S ATOM 192 CE MET A 13 -18.104 6.758 -7.738 1.00 0.00 C ATOM 0 H MET A 13 -12.991 7.490 -4.266 1.00 0.00 H new ATOM 0 HA MET A 13 -15.778 6.696 -3.393 1.00 0.00 H new ATOM 0 HB2 MET A 13 -14.059 5.907 -5.817 1.00 0.00 H new ATOM 0 HB3 MET A 13 -15.417 4.936 -5.281 1.00 0.00 H new ATOM 0 HG2 MET A 13 -16.876 7.046 -5.464 1.00 0.00 H new ATOM 0 HG3 MET A 13 -15.511 7.847 -6.216 1.00 0.00 H new ATOM 0 HE1 MET A 13 -18.572 6.411 -8.659 1.00 0.00 H new ATOM 0 HE2 MET A 13 -18.675 6.397 -6.882 1.00 0.00 H new ATOM 0 HE3 MET A 13 -18.086 7.848 -7.729 1.00 0.00 H new ATOM 202 N SER A 14 -14.679 4.232 -2.944 1.00 0.00 N ATOM 203 CA SER A 14 -14.054 3.156 -2.119 1.00 0.00 C ATOM 204 C SER A 14 -14.431 1.779 -2.672 1.00 0.00 C ATOM 205 O SER A 14 -15.165 1.669 -3.637 1.00 0.00 O ATOM 206 CB SER A 14 -14.632 3.347 -0.717 1.00 0.00 C ATOM 207 OG SER A 14 -14.350 2.196 0.068 1.00 0.00 O ATOM 0 H SER A 14 -15.536 3.963 -3.426 1.00 0.00 H new ATOM 0 HA SER A 14 -12.965 3.212 -2.123 1.00 0.00 H new ATOM 0 HB2 SER A 14 -14.201 4.233 -0.251 1.00 0.00 H new ATOM 0 HB3 SER A 14 -15.709 3.508 -0.774 1.00 0.00 H new ATOM 0 HG SER A 14 -14.718 2.316 0.968 1.00 0.00 H new ATOM 213 N SER A 15 -13.934 0.731 -2.066 1.00 0.00 N ATOM 214 CA SER A 15 -14.260 -0.645 -2.553 1.00 0.00 C ATOM 215 C SER A 15 -15.736 -0.962 -2.293 1.00 0.00 C ATOM 216 O SER A 15 -16.349 -1.730 -3.011 1.00 0.00 O ATOM 217 CB SER A 15 -13.362 -1.583 -1.745 1.00 0.00 C ATOM 218 OG SER A 15 -13.721 -1.507 -0.370 1.00 0.00 O ATOM 0 H SER A 15 -13.316 0.768 -1.255 1.00 0.00 H new ATOM 0 HA SER A 15 -14.094 -0.750 -3.625 1.00 0.00 H new ATOM 0 HB2 SER A 15 -13.468 -2.606 -2.105 1.00 0.00 H new ATOM 0 HB3 SER A 15 -12.316 -1.306 -1.876 1.00 0.00 H new ATOM 0 HG SER A 15 -13.149 -2.108 0.151 1.00 0.00 H new ATOM 224 N TYR A 16 -16.307 -0.373 -1.273 1.00 0.00 N ATOM 225 CA TYR A 16 -17.745 -0.634 -0.960 1.00 0.00 C ATOM 226 C TYR A 16 -18.644 0.150 -1.920 1.00 0.00 C ATOM 227 O TYR A 16 -19.751 -0.260 -2.219 1.00 0.00 O ATOM 228 CB TYR A 16 -17.939 -0.142 0.476 1.00 0.00 C ATOM 229 CG TYR A 16 -19.109 -0.863 1.100 1.00 0.00 C ATOM 230 CD1 TYR A 16 -18.985 -2.204 1.480 1.00 0.00 C ATOM 231 CD2 TYR A 16 -20.321 -0.189 1.297 1.00 0.00 C ATOM 232 CE1 TYR A 16 -20.071 -2.872 2.057 1.00 0.00 C ATOM 233 CE2 TYR A 16 -21.408 -0.856 1.875 1.00 0.00 C ATOM 234 CZ TYR A 16 -21.283 -2.199 2.255 1.00 0.00 C ATOM 235 OH TYR A 16 -22.354 -2.857 2.824 1.00 0.00 O ATOM 0 H TYR A 16 -15.839 0.278 -0.643 1.00 0.00 H new ATOM 0 HA TYR A 16 -18.004 -1.687 -1.067 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -17.035 -0.321 1.058 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -18.115 0.934 0.483 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -18.051 -2.724 1.328 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -20.417 0.846 1.003 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -19.974 -3.907 2.350 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -22.342 -0.336 2.028 1.00 0.00 H new ATOM 0 HH TYR A 16 -23.116 -2.245 2.890 1.00 0.00 H new ATOM 245 N ALA A 17 -18.175 1.271 -2.406 1.00 0.00 N ATOM 246 CA ALA A 17 -18.996 2.087 -3.351 1.00 0.00 C ATOM 247 C ALA A 17 -18.953 1.474 -4.753 1.00 0.00 C ATOM 248 O ALA A 17 -19.904 1.559 -5.506 1.00 0.00 O ATOM 249 CB ALA A 17 -18.348 3.473 -3.351 1.00 0.00 C ATOM 0 H ALA A 17 -17.256 1.657 -2.188 1.00 0.00 H new ATOM 0 HA ALA A 17 -20.044 2.130 -3.054 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -18.897 4.131 -4.024 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -18.371 3.885 -2.342 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -17.314 3.391 -3.687 1.00 0.00 H new ATOM 255 N PHE A 18 -17.854 0.855 -5.103 1.00 0.00 N ATOM 256 CA PHE A 18 -17.738 0.230 -6.456 1.00 0.00 C ATOM 257 C PHE A 18 -18.411 -1.146 -6.461 1.00 0.00 C ATOM 258 O PHE A 18 -18.901 -1.601 -7.477 1.00 0.00 O ATOM 259 CB PHE A 18 -16.236 0.095 -6.703 1.00 0.00 C ATOM 260 CG PHE A 18 -15.733 1.318 -7.432 1.00 0.00 C ATOM 261 CD1 PHE A 18 -16.132 1.558 -8.752 1.00 0.00 C ATOM 262 CD2 PHE A 18 -14.867 2.210 -6.788 1.00 0.00 C ATOM 263 CE1 PHE A 18 -15.666 2.693 -9.428 1.00 0.00 C ATOM 264 CE2 PHE A 18 -14.401 3.343 -7.465 1.00 0.00 C ATOM 265 CZ PHE A 18 -14.801 3.585 -8.784 1.00 0.00 C ATOM 0 H PHE A 18 -17.031 0.755 -4.509 1.00 0.00 H new ATOM 0 HA PHE A 18 -18.225 0.824 -7.229 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -15.710 -0.018 -5.755 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -16.032 -0.801 -7.290 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -16.799 0.869 -9.249 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -14.559 2.024 -5.770 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -15.974 2.880 -10.446 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -13.732 4.031 -6.969 1.00 0.00 H new ATOM 0 HZ PHE A 18 -14.442 4.460 -9.305 1.00 0.00 H new ATOM 275 N PHE A 19 -18.436 -1.806 -5.331 1.00 0.00 N ATOM 276 CA PHE A 19 -19.078 -3.156 -5.261 1.00 0.00 C ATOM 277 C PHE A 19 -20.580 -3.041 -5.534 1.00 0.00 C ATOM 278 O PHE A 19 -21.155 -3.849 -6.237 1.00 0.00 O ATOM 279 CB PHE A 19 -18.829 -3.647 -3.833 1.00 0.00 C ATOM 280 CG PHE A 19 -19.213 -5.102 -3.725 1.00 0.00 C ATOM 281 CD1 PHE A 19 -18.438 -6.080 -4.362 1.00 0.00 C ATOM 282 CD2 PHE A 19 -20.343 -5.475 -2.989 1.00 0.00 C ATOM 283 CE1 PHE A 19 -18.793 -7.430 -4.262 1.00 0.00 C ATOM 284 CE2 PHE A 19 -20.699 -6.826 -2.888 1.00 0.00 C ATOM 285 CZ PHE A 19 -19.924 -7.803 -3.524 1.00 0.00 C ATOM 0 H PHE A 19 -18.040 -1.469 -4.453 1.00 0.00 H new ATOM 0 HA PHE A 19 -18.670 -3.843 -6.002 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -17.779 -3.517 -3.571 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -19.410 -3.054 -3.127 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -17.566 -5.792 -4.931 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -20.941 -4.721 -2.499 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -18.196 -8.184 -4.753 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -21.571 -7.114 -2.320 1.00 0.00 H new ATOM 0 HZ PHE A 19 -20.198 -8.845 -3.446 1.00 0.00 H new ATOM 295 N VAL A 20 -21.214 -2.038 -4.981 1.00 0.00 N ATOM 296 CA VAL A 20 -22.682 -1.858 -5.203 1.00 0.00 C ATOM 297 C VAL A 20 -22.931 -1.265 -6.595 1.00 0.00 C ATOM 298 O VAL A 20 -23.952 -1.511 -7.208 1.00 0.00 O ATOM 299 CB VAL A 20 -23.136 -0.888 -4.106 1.00 0.00 C ATOM 300 CG1 VAL A 20 -24.632 -0.589 -4.255 1.00 0.00 C ATOM 301 CG2 VAL A 20 -22.881 -1.520 -2.735 1.00 0.00 C ATOM 0 H VAL A 20 -20.778 -1.335 -4.384 1.00 0.00 H new ATOM 0 HA VAL A 20 -23.230 -2.799 -5.157 1.00 0.00 H new ATOM 0 HB VAL A 20 -22.575 0.042 -4.196 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -24.945 0.101 -3.471 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -24.818 -0.139 -5.230 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -25.199 -1.516 -4.170 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -23.203 -0.833 -1.952 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -23.442 -2.451 -2.654 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -21.817 -1.726 -2.622 1.00 0.00 H new ATOM 311 N GLN A 21 -22.003 -0.487 -7.093 1.00 0.00 N ATOM 312 CA GLN A 21 -22.180 0.125 -8.445 1.00 0.00 C ATOM 313 C GLN A 21 -21.927 -0.920 -9.535 1.00 0.00 C ATOM 314 O GLN A 21 -22.687 -1.041 -10.477 1.00 0.00 O ATOM 315 CB GLN A 21 -21.135 1.240 -8.519 1.00 0.00 C ATOM 316 CG GLN A 21 -21.584 2.295 -9.532 1.00 0.00 C ATOM 317 CD GLN A 21 -20.358 2.914 -10.205 1.00 0.00 C ATOM 318 OE1 GLN A 21 -19.560 3.565 -9.560 1.00 0.00 O ATOM 319 NE2 GLN A 21 -20.172 2.737 -11.485 1.00 0.00 N ATOM 0 H GLN A 21 -21.130 -0.249 -6.622 1.00 0.00 H new ATOM 0 HA GLN A 21 -23.191 0.505 -8.596 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -21.004 1.696 -7.538 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -20.169 0.828 -8.811 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -22.233 1.841 -10.281 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -22.167 3.069 -9.032 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -20.842 2.191 -12.027 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -19.357 3.145 -11.943 1.00 0.00 H new ATOM 328 N THR A 22 -20.866 -1.676 -9.410 1.00 0.00 N ATOM 329 CA THR A 22 -20.557 -2.719 -10.437 1.00 0.00 C ATOM 330 C THR A 22 -21.626 -3.816 -10.417 1.00 0.00 C ATOM 331 O THR A 22 -21.881 -4.462 -11.416 1.00 0.00 O ATOM 332 CB THR A 22 -19.196 -3.292 -10.034 1.00 0.00 C ATOM 333 OG1 THR A 22 -18.260 -2.231 -9.900 1.00 0.00 O ATOM 334 CG2 THR A 22 -18.714 -4.269 -11.107 1.00 0.00 C ATOM 0 H THR A 22 -20.199 -1.617 -8.641 1.00 0.00 H new ATOM 0 HA THR A 22 -20.541 -2.307 -11.446 1.00 0.00 H new ATOM 0 HB THR A 22 -19.288 -3.818 -9.084 1.00 0.00 H new ATOM 0 HG1 THR A 22 -18.145 -2.014 -8.951 1.00 0.00 H new ATOM 0 HG21 THR A 22 -17.745 -4.676 -10.819 1.00 0.00 H new ATOM 0 HG22 THR A 22 -19.433 -5.081 -11.209 1.00 0.00 H new ATOM 0 HG23 THR A 22 -18.620 -3.746 -12.059 1.00 0.00 H new ATOM 342 N SER A 23 -22.249 -4.030 -9.286 1.00 0.00 N ATOM 343 CA SER A 23 -23.302 -5.086 -9.192 1.00 0.00 C ATOM 344 C SER A 23 -24.661 -4.524 -9.621 1.00 0.00 C ATOM 345 O SER A 23 -25.511 -5.245 -10.108 1.00 0.00 O ATOM 346 CB SER A 23 -23.329 -5.487 -7.718 1.00 0.00 C ATOM 347 OG SER A 23 -22.043 -5.961 -7.338 1.00 0.00 O ATOM 0 H SER A 23 -22.073 -3.518 -8.422 1.00 0.00 H new ATOM 0 HA SER A 23 -23.093 -5.935 -9.843 1.00 0.00 H new ATOM 0 HB2 SER A 23 -23.612 -4.633 -7.102 1.00 0.00 H new ATOM 0 HB3 SER A 23 -24.078 -6.261 -7.553 1.00 0.00 H new ATOM 0 HG SER A 23 -21.551 -5.244 -6.886 1.00 0.00 H new ATOM 353 N ARG A 24 -24.867 -3.243 -9.444 1.00 0.00 N ATOM 354 CA ARG A 24 -26.173 -2.628 -9.843 1.00 0.00 C ATOM 355 C ARG A 24 -26.255 -2.509 -11.366 1.00 0.00 C ATOM 356 O ARG A 24 -27.295 -2.729 -11.958 1.00 0.00 O ATOM 357 CB ARG A 24 -26.180 -1.243 -9.194 1.00 0.00 C ATOM 358 CG ARG A 24 -27.552 -0.594 -9.393 1.00 0.00 C ATOM 359 CD ARG A 24 -27.554 0.208 -10.697 1.00 0.00 C ATOM 360 NE ARG A 24 -28.550 1.293 -10.479 1.00 0.00 N ATOM 361 CZ ARG A 24 -28.146 2.509 -10.231 1.00 0.00 C ATOM 362 NH1 ARG A 24 -27.677 3.250 -11.197 1.00 0.00 N ATOM 363 NH2 ARG A 24 -28.212 2.984 -9.017 1.00 0.00 N ATOM 0 H ARG A 24 -24.189 -2.596 -9.041 1.00 0.00 H new ATOM 0 HA ARG A 24 -27.025 -3.228 -9.524 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -25.956 -1.327 -8.131 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -25.403 -0.619 -9.635 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -28.327 -1.360 -9.424 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -27.782 0.059 -8.552 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -26.566 0.616 -10.911 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -27.831 -0.418 -11.545 1.00 0.00 H new ATOM 0 HE ARG A 24 -29.548 1.086 -10.523 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -27.626 2.879 -12.146 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -27.361 4.200 -11.003 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -28.579 2.405 -8.262 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -27.896 3.934 -8.823 1.00 0.00 H new ATOM 377 N GLU A 25 -25.164 -2.164 -12.003 1.00 0.00 N ATOM 378 CA GLU A 25 -25.173 -2.030 -13.494 1.00 0.00 C ATOM 379 C GLU A 25 -25.504 -3.379 -14.137 1.00 0.00 C ATOM 380 O GLU A 25 -26.251 -3.452 -15.095 1.00 0.00 O ATOM 381 CB GLU A 25 -23.756 -1.590 -13.868 1.00 0.00 C ATOM 382 CG GLU A 25 -23.551 -0.131 -13.460 1.00 0.00 C ATOM 383 CD GLU A 25 -22.458 0.495 -14.328 1.00 0.00 C ATOM 384 OE1 GLU A 25 -22.655 0.573 -15.530 1.00 0.00 O ATOM 385 OE2 GLU A 25 -21.442 0.884 -13.777 1.00 0.00 O ATOM 0 H GLU A 25 -24.268 -1.969 -11.556 1.00 0.00 H new ATOM 0 HA GLU A 25 -25.921 -1.316 -13.840 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -23.023 -2.225 -13.370 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -23.599 -1.704 -14.941 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -24.482 0.424 -13.574 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -23.272 -0.073 -12.408 1.00 0.00 H new ATOM 392 N GLU A 26 -24.953 -4.444 -13.614 1.00 0.00 N ATOM 393 CA GLU A 26 -25.232 -5.797 -14.185 1.00 0.00 C ATOM 394 C GLU A 26 -26.604 -6.309 -13.723 1.00 0.00 C ATOM 395 O GLU A 26 -27.156 -7.222 -14.307 1.00 0.00 O ATOM 396 CB GLU A 26 -24.117 -6.695 -13.644 1.00 0.00 C ATOM 397 CG GLU A 26 -24.189 -8.063 -14.324 1.00 0.00 C ATOM 398 CD GLU A 26 -22.874 -8.813 -14.103 1.00 0.00 C ATOM 399 OE1 GLU A 26 -21.890 -8.440 -14.719 1.00 0.00 O ATOM 400 OE2 GLU A 26 -22.875 -9.750 -13.321 1.00 0.00 O ATOM 0 H GLU A 26 -24.320 -4.435 -12.814 1.00 0.00 H new ATOM 0 HA GLU A 26 -25.255 -5.781 -15.275 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -23.145 -6.237 -13.827 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -24.218 -6.808 -12.565 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -25.021 -8.639 -13.919 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -24.376 -7.941 -15.391 1.00 0.00 H new ATOM 407 N HIS A 27 -27.156 -5.732 -12.682 1.00 0.00 N ATOM 408 CA HIS A 27 -28.491 -6.193 -12.188 1.00 0.00 C ATOM 409 C HIS A 27 -29.569 -5.926 -13.243 1.00 0.00 C ATOM 410 O HIS A 27 -30.371 -6.786 -13.554 1.00 0.00 O ATOM 411 CB HIS A 27 -28.762 -5.368 -10.927 1.00 0.00 C ATOM 412 CG HIS A 27 -30.021 -5.857 -10.268 1.00 0.00 C ATOM 413 ND1 HIS A 27 -31.344 -5.555 -10.478 1.00 0.00 N flip ATOM 414 CD2 HIS A 27 -30.005 -6.787 -9.240 1.00 0.00 C flip ATOM 415 CE1 HIS A 27 -32.137 -6.285 -9.598 1.00 0.00 C flip ATOM 416 NE2 HIS A 27 -31.281 -7.010 -8.875 1.00 0.00 N flip ATOM 0 H HIS A 27 -26.741 -4.964 -12.155 1.00 0.00 H new ATOM 0 HA HIS A 27 -28.503 -7.264 -11.983 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -27.922 -5.452 -10.237 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -28.860 -4.313 -11.184 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -29.128 -7.249 -8.810 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -33.214 -6.268 -9.517 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -31.560 -7.655 -8.136 1.00 0.00 H new ATOM 424 N LYS A 28 -29.594 -4.736 -13.789 1.00 0.00 N ATOM 425 CA LYS A 28 -30.622 -4.400 -14.823 1.00 0.00 C ATOM 426 C LYS A 28 -30.490 -5.331 -16.034 1.00 0.00 C ATOM 427 O LYS A 28 -31.452 -5.589 -16.734 1.00 0.00 O ATOM 428 CB LYS A 28 -30.331 -2.954 -15.228 1.00 0.00 C ATOM 429 CG LYS A 28 -31.557 -2.362 -15.925 1.00 0.00 C ATOM 430 CD LYS A 28 -31.309 -0.883 -16.230 1.00 0.00 C ATOM 431 CE LYS A 28 -32.628 -0.215 -16.625 1.00 0.00 C ATOM 432 NZ LYS A 28 -32.302 1.232 -16.757 1.00 0.00 N ATOM 0 H LYS A 28 -28.946 -3.981 -13.563 1.00 0.00 H new ATOM 0 HA LYS A 28 -31.636 -4.519 -14.440 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -30.079 -2.362 -14.348 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -29.469 -2.918 -15.894 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -31.761 -2.905 -16.848 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -32.437 -2.470 -15.290 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -30.885 -0.387 -15.357 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -30.583 -0.784 -17.037 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -33.011 -0.620 -17.562 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -33.396 -0.379 -15.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -33.158 1.758 -17.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -31.946 1.592 -15.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -31.574 1.358 -17.488 1.00 0.00 H new ATOM 446 N LYS A 29 -29.306 -5.830 -16.287 1.00 0.00 N ATOM 447 CA LYS A 29 -29.109 -6.742 -17.457 1.00 0.00 C ATOM 448 C LYS A 29 -29.912 -8.033 -17.269 1.00 0.00 C ATOM 449 O LYS A 29 -30.303 -8.673 -18.228 1.00 0.00 O ATOM 450 CB LYS A 29 -27.609 -7.046 -17.488 1.00 0.00 C ATOM 451 CG LYS A 29 -26.833 -5.764 -17.793 1.00 0.00 C ATOM 452 CD LYS A 29 -25.369 -6.109 -18.071 1.00 0.00 C ATOM 453 CE LYS A 29 -25.261 -6.839 -19.412 1.00 0.00 C ATOM 454 NZ LYS A 29 -23.834 -6.697 -19.814 1.00 0.00 N ATOM 0 H LYS A 29 -28.468 -5.646 -15.735 1.00 0.00 H new ATOM 0 HA LYS A 29 -29.450 -6.288 -18.387 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -27.291 -7.457 -16.530 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -27.396 -7.801 -18.245 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -27.269 -5.259 -18.655 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -26.902 -5.075 -16.951 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -24.768 -5.200 -18.090 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -24.974 -6.735 -17.271 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -25.541 -7.888 -19.314 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -25.926 -6.400 -20.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -23.681 -7.173 -20.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -23.598 -5.688 -19.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -23.225 -7.130 -19.091 1.00 0.00 H new ATOM 468 N LYS A 30 -30.159 -8.418 -16.042 1.00 0.00 N ATOM 469 CA LYS A 30 -30.938 -9.669 -15.786 1.00 0.00 C ATOM 470 C LYS A 30 -32.147 -9.388 -14.883 1.00 0.00 C ATOM 471 O LYS A 30 -32.720 -10.297 -14.311 1.00 0.00 O ATOM 472 CB LYS A 30 -29.951 -10.617 -15.092 1.00 0.00 C ATOM 473 CG LYS A 30 -29.433 -9.985 -13.789 1.00 0.00 C ATOM 474 CD LYS A 30 -27.910 -9.826 -13.855 1.00 0.00 C ATOM 475 CE LYS A 30 -27.243 -11.171 -13.561 1.00 0.00 C ATOM 476 NZ LYS A 30 -27.249 -11.287 -12.076 1.00 0.00 N ATOM 0 H LYS A 30 -29.855 -7.920 -15.206 1.00 0.00 H new ATOM 0 HA LYS A 30 -31.337 -10.094 -16.707 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -30.440 -11.567 -14.875 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -29.115 -10.834 -15.757 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -29.902 -9.013 -13.634 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -29.706 -10.610 -12.938 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -27.613 -9.469 -14.841 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -27.580 -9.079 -13.133 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -27.790 -11.992 -14.023 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -26.227 -11.203 -13.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -26.279 -11.180 -11.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -27.853 -10.543 -11.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -27.619 -12.220 -11.802 1.00 0.00 H new ATOM 490 N HIS A 31 -32.544 -8.144 -14.755 1.00 0.00 N ATOM 491 CA HIS A 31 -33.719 -7.812 -13.894 1.00 0.00 C ATOM 492 C HIS A 31 -34.497 -6.628 -14.498 1.00 0.00 C ATOM 493 O HIS A 31 -34.537 -5.559 -13.919 1.00 0.00 O ATOM 494 CB HIS A 31 -33.122 -7.433 -12.535 1.00 0.00 C ATOM 495 CG HIS A 31 -32.408 -8.621 -11.951 1.00 0.00 C ATOM 496 ND1 HIS A 31 -31.124 -8.786 -11.492 1.00 0.00 N flip ATOM 497 CD2 HIS A 31 -33.029 -9.850 -11.787 1.00 0.00 C flip ATOM 498 CE1 HIS A 31 -30.949 -10.094 -11.050 1.00 0.00 C flip ATOM 499 NE2 HIS A 31 -32.126 -10.691 -11.251 1.00 0.00 N flip ATOM 0 H HIS A 31 -32.103 -7.345 -15.211 1.00 0.00 H new ATOM 0 HA HIS A 31 -34.420 -8.642 -13.809 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -32.429 -6.600 -12.650 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -33.910 -7.101 -11.859 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -34.051 -10.088 -12.043 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -30.054 -10.532 -10.634 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -32.318 -11.667 -11.025 1.00 0.00 H new ATOM 507 N PRO A 32 -35.095 -6.848 -15.650 1.00 0.00 N ATOM 508 CA PRO A 32 -35.868 -5.768 -16.313 1.00 0.00 C ATOM 509 C PRO A 32 -37.183 -5.517 -15.571 1.00 0.00 C ATOM 510 O PRO A 32 -37.689 -4.411 -15.544 1.00 0.00 O ATOM 511 CB PRO A 32 -36.132 -6.317 -17.713 1.00 0.00 C ATOM 512 CG PRO A 32 -36.067 -7.804 -17.565 1.00 0.00 C ATOM 513 CD PRO A 32 -35.113 -8.095 -16.437 1.00 0.00 C ATOM 0 HA PRO A 32 -35.340 -4.815 -16.328 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -37.107 -6.000 -18.084 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -35.388 -5.958 -18.424 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -37.054 -8.213 -17.350 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -35.724 -8.269 -18.489 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -35.451 -8.940 -15.837 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -34.120 -8.346 -16.810 1.00 0.00 H new ATOM 521 N ASP A 33 -37.739 -6.539 -14.971 1.00 0.00 N ATOM 522 CA ASP A 33 -39.024 -6.372 -14.230 1.00 0.00 C ATOM 523 C ASP A 33 -38.771 -6.372 -12.718 1.00 0.00 C ATOM 524 O ASP A 33 -39.376 -7.126 -11.979 1.00 0.00 O ATOM 525 CB ASP A 33 -39.873 -7.578 -14.634 1.00 0.00 C ATOM 526 CG ASP A 33 -40.350 -7.408 -16.077 1.00 0.00 C ATOM 527 OD1 ASP A 33 -41.406 -6.830 -16.268 1.00 0.00 O ATOM 528 OD2 ASP A 33 -39.649 -7.861 -16.969 1.00 0.00 O ATOM 0 H ASP A 33 -37.356 -7.484 -14.963 1.00 0.00 H new ATOM 0 HA ASP A 33 -39.517 -5.429 -14.466 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -39.290 -8.494 -14.538 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -40.729 -7.673 -13.966 1.00 0.00 H new ATOM 533 N SER A 34 -37.878 -5.532 -12.257 1.00 0.00 N ATOM 534 CA SER A 34 -37.578 -5.477 -10.794 1.00 0.00 C ATOM 535 C SER A 34 -36.731 -4.243 -10.469 1.00 0.00 C ATOM 536 O SER A 34 -35.773 -3.940 -11.157 1.00 0.00 O ATOM 537 CB SER A 34 -36.793 -6.755 -10.502 1.00 0.00 C ATOM 538 OG SER A 34 -36.889 -7.059 -9.117 1.00 0.00 O ATOM 0 H SER A 34 -37.343 -4.881 -12.832 1.00 0.00 H new ATOM 0 HA SER A 34 -38.484 -5.406 -10.192 1.00 0.00 H new ATOM 0 HB2 SER A 34 -37.186 -7.581 -11.095 1.00 0.00 H new ATOM 0 HB3 SER A 34 -35.749 -6.627 -10.786 1.00 0.00 H new ATOM 0 HG SER A 34 -36.388 -7.879 -8.927 1.00 0.00 H new ATOM 544 N SER A 35 -37.077 -3.534 -9.424 1.00 0.00 N ATOM 545 CA SER A 35 -36.298 -2.323 -9.041 1.00 0.00 C ATOM 546 C SER A 35 -35.166 -2.711 -8.087 1.00 0.00 C ATOM 547 O SER A 35 -35.004 -3.868 -7.749 1.00 0.00 O ATOM 548 CB SER A 35 -37.304 -1.410 -8.340 1.00 0.00 C ATOM 549 OG SER A 35 -36.681 -0.167 -8.039 1.00 0.00 O ATOM 0 H SER A 35 -37.870 -3.745 -8.818 1.00 0.00 H new ATOM 0 HA SER A 35 -35.838 -1.834 -9.900 1.00 0.00 H new ATOM 0 HB2 SER A 35 -38.173 -1.249 -8.978 1.00 0.00 H new ATOM 0 HB3 SER A 35 -37.663 -1.881 -7.425 1.00 0.00 H new ATOM 0 HG SER A 35 -37.324 0.421 -7.591 1.00 0.00 H new ATOM 555 N VAL A 36 -34.381 -1.755 -7.653 1.00 0.00 N ATOM 556 CA VAL A 36 -33.257 -2.075 -6.721 1.00 0.00 C ATOM 557 C VAL A 36 -32.666 -0.789 -6.120 1.00 0.00 C ATOM 558 O VAL A 36 -31.741 -0.207 -6.653 1.00 0.00 O ATOM 559 CB VAL A 36 -32.223 -2.819 -7.581 1.00 0.00 C ATOM 560 CG1 VAL A 36 -31.762 -1.932 -8.744 1.00 0.00 C ATOM 561 CG2 VAL A 36 -31.015 -3.197 -6.722 1.00 0.00 C ATOM 0 H VAL A 36 -34.470 -0.770 -7.903 1.00 0.00 H new ATOM 0 HA VAL A 36 -33.583 -2.680 -5.875 1.00 0.00 H new ATOM 0 HB VAL A 36 -32.685 -3.721 -7.982 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -31.030 -2.471 -9.345 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -32.619 -1.671 -9.365 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -31.309 -1.022 -8.350 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -30.284 -3.724 -7.335 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -30.562 -2.294 -6.313 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -31.337 -3.843 -5.905 1.00 0.00 H new ATOM 571 N ASN A 37 -33.191 -0.354 -5.001 1.00 0.00 N ATOM 572 CA ASN A 37 -32.658 0.882 -4.349 1.00 0.00 C ATOM 573 C ASN A 37 -31.274 0.593 -3.763 1.00 0.00 C ATOM 574 O ASN A 37 -30.683 -0.433 -4.045 1.00 0.00 O ATOM 575 CB ASN A 37 -33.655 1.215 -3.236 1.00 0.00 C ATOM 576 CG ASN A 37 -34.703 2.195 -3.765 1.00 0.00 C ATOM 577 OD1 ASN A 37 -35.129 2.095 -4.898 1.00 0.00 O ATOM 578 ND2 ASN A 37 -35.142 3.146 -2.985 1.00 0.00 N ATOM 0 H ASN A 37 -33.966 -0.802 -4.511 1.00 0.00 H new ATOM 0 HA ASN A 37 -32.551 1.711 -5.049 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -34.139 0.305 -2.883 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -33.133 1.650 -2.384 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -35.842 3.804 -3.327 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -34.785 3.231 -2.033 1.00 0.00 H new ATOM 585 N PHE A 38 -30.751 1.481 -2.952 1.00 0.00 N ATOM 586 CA PHE A 38 -29.403 1.235 -2.356 1.00 0.00 C ATOM 587 C PHE A 38 -29.520 0.300 -1.157 1.00 0.00 C ATOM 588 O PHE A 38 -28.783 -0.647 -1.045 1.00 0.00 O ATOM 589 CB PHE A 38 -28.875 2.596 -1.909 1.00 0.00 C ATOM 590 CG PHE A 38 -28.776 3.517 -3.100 1.00 0.00 C ATOM 591 CD1 PHE A 38 -27.652 3.457 -3.933 1.00 0.00 C ATOM 592 CD2 PHE A 38 -29.804 4.426 -3.376 1.00 0.00 C ATOM 593 CE1 PHE A 38 -27.556 4.305 -5.041 1.00 0.00 C ATOM 594 CE2 PHE A 38 -29.707 5.275 -4.485 1.00 0.00 C ATOM 595 CZ PHE A 38 -28.583 5.213 -5.317 1.00 0.00 C ATOM 0 H PHE A 38 -31.196 2.358 -2.680 1.00 0.00 H new ATOM 0 HA PHE A 38 -28.733 0.766 -3.076 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -29.538 3.026 -1.158 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -27.897 2.482 -1.442 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -26.859 2.756 -3.720 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -30.671 4.472 -2.734 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -26.689 4.259 -5.683 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -30.499 5.977 -4.698 1.00 0.00 H new ATOM 0 HZ PHE A 38 -28.509 5.867 -6.173 1.00 0.00 H new ATOM 605 N ALA A 39 -30.432 0.561 -0.256 1.00 0.00 N ATOM 606 CA ALA A 39 -30.570 -0.327 0.941 1.00 0.00 C ATOM 607 C ALA A 39 -31.142 -1.682 0.541 1.00 0.00 C ATOM 608 O ALA A 39 -30.705 -2.707 1.027 1.00 0.00 O ATOM 609 CB ALA A 39 -31.518 0.409 1.889 1.00 0.00 C ATOM 0 H ALA A 39 -31.084 1.345 -0.295 1.00 0.00 H new ATOM 0 HA ALA A 39 -29.607 -0.525 1.413 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -31.665 -0.186 2.791 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -31.088 1.374 2.157 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -32.478 0.564 1.396 1.00 0.00 H new ATOM 615 N GLU A 40 -32.101 -1.701 -0.344 1.00 0.00 N ATOM 616 CA GLU A 40 -32.681 -3.005 -0.777 1.00 0.00 C ATOM 617 C GLU A 40 -31.608 -3.853 -1.475 1.00 0.00 C ATOM 618 O GLU A 40 -31.771 -5.047 -1.642 1.00 0.00 O ATOM 619 CB GLU A 40 -33.807 -2.649 -1.750 1.00 0.00 C ATOM 620 CG GLU A 40 -34.938 -1.952 -0.990 1.00 0.00 C ATOM 621 CD GLU A 40 -35.719 -2.987 -0.177 1.00 0.00 C ATOM 622 OE1 GLU A 40 -36.408 -3.790 -0.784 1.00 0.00 O ATOM 623 OE2 GLU A 40 -35.616 -2.957 1.039 1.00 0.00 O ATOM 0 H GLU A 40 -32.507 -0.875 -0.784 1.00 0.00 H new ATOM 0 HA GLU A 40 -33.051 -3.589 0.065 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -33.429 -1.998 -2.538 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -34.182 -3.551 -2.234 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -34.529 -1.188 -0.329 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -35.603 -1.446 -1.690 1.00 0.00 H new ATOM 630 N PHE A 41 -30.512 -3.248 -1.884 1.00 0.00 N ATOM 631 CA PHE A 41 -29.441 -4.027 -2.568 1.00 0.00 C ATOM 632 C PHE A 41 -28.166 -4.057 -1.720 1.00 0.00 C ATOM 633 O PHE A 41 -27.560 -5.095 -1.531 1.00 0.00 O ATOM 634 CB PHE A 41 -29.201 -3.291 -3.886 1.00 0.00 C ATOM 635 CG PHE A 41 -28.304 -4.121 -4.772 1.00 0.00 C ATOM 636 CD1 PHE A 41 -28.690 -5.413 -5.145 1.00 0.00 C ATOM 637 CD2 PHE A 41 -27.086 -3.596 -5.221 1.00 0.00 C ATOM 638 CE1 PHE A 41 -27.858 -6.181 -5.968 1.00 0.00 C ATOM 639 CE2 PHE A 41 -26.254 -4.365 -6.043 1.00 0.00 C ATOM 640 CZ PHE A 41 -26.640 -5.658 -6.417 1.00 0.00 C ATOM 0 H PHE A 41 -30.320 -2.253 -1.771 1.00 0.00 H new ATOM 0 HA PHE A 41 -29.727 -5.067 -2.727 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -30.150 -3.102 -4.387 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -28.743 -2.321 -3.694 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -29.629 -5.818 -4.798 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -26.789 -2.598 -4.933 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -28.156 -7.178 -6.257 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -25.314 -3.961 -6.389 1.00 0.00 H new ATOM 0 HZ PHE A 41 -25.998 -6.251 -7.052 1.00 0.00 H new ATOM 650 N SER A 42 -27.764 -2.927 -1.201 1.00 0.00 N ATOM 651 CA SER A 42 -26.533 -2.867 -0.349 1.00 0.00 C ATOM 652 C SER A 42 -26.644 -3.866 0.811 1.00 0.00 C ATOM 653 O SER A 42 -25.652 -4.319 1.349 1.00 0.00 O ATOM 654 CB SER A 42 -26.484 -1.428 0.175 1.00 0.00 C ATOM 655 OG SER A 42 -27.535 -1.234 1.110 1.00 0.00 O ATOM 0 H SER A 42 -28.238 -2.033 -1.330 1.00 0.00 H new ATOM 0 HA SER A 42 -25.631 -3.127 -0.903 1.00 0.00 H new ATOM 0 HB2 SER A 42 -25.521 -1.233 0.647 1.00 0.00 H new ATOM 0 HB3 SER A 42 -26.582 -0.724 -0.651 1.00 0.00 H new ATOM 0 HG SER A 42 -27.413 -0.375 1.565 1.00 0.00 H new ATOM 661 N LYS A 43 -27.851 -4.220 1.185 1.00 0.00 N ATOM 662 CA LYS A 43 -28.039 -5.200 2.293 1.00 0.00 C ATOM 663 C LYS A 43 -27.659 -6.601 1.808 1.00 0.00 C ATOM 664 O LYS A 43 -27.200 -7.430 2.572 1.00 0.00 O ATOM 665 CB LYS A 43 -29.533 -5.138 2.634 1.00 0.00 C ATOM 666 CG LYS A 43 -29.739 -4.300 3.897 1.00 0.00 C ATOM 667 CD LYS A 43 -29.693 -5.207 5.128 1.00 0.00 C ATOM 668 CE LYS A 43 -28.243 -5.600 5.419 1.00 0.00 C ATOM 669 NZ LYS A 43 -28.300 -6.357 6.701 1.00 0.00 N ATOM 0 H LYS A 43 -28.713 -3.870 0.768 1.00 0.00 H new ATOM 0 HA LYS A 43 -27.418 -4.975 3.160 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -30.088 -4.703 1.803 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -29.923 -6.144 2.786 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -28.966 -3.535 3.968 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -30.697 -3.782 3.850 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -30.121 -4.692 5.988 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -30.296 -6.099 4.958 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -27.831 -6.212 4.617 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -27.606 -4.720 5.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -27.342 -6.661 6.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -28.690 -5.747 7.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -28.908 -7.192 6.584 1.00 0.00 H new ATOM 683 N LYS A 44 -27.845 -6.865 0.539 1.00 0.00 N ATOM 684 CA LYS A 44 -27.497 -8.206 -0.016 1.00 0.00 C ATOM 685 C LYS A 44 -26.021 -8.244 -0.417 1.00 0.00 C ATOM 686 O LYS A 44 -25.342 -9.234 -0.218 1.00 0.00 O ATOM 687 CB LYS A 44 -28.392 -8.369 -1.245 1.00 0.00 C ATOM 688 CG LYS A 44 -28.721 -9.850 -1.446 1.00 0.00 C ATOM 689 CD LYS A 44 -27.670 -10.488 -2.356 1.00 0.00 C ATOM 690 CE LYS A 44 -28.103 -11.911 -2.718 1.00 0.00 C ATOM 691 NZ LYS A 44 -29.000 -11.751 -3.897 1.00 0.00 N ATOM 0 H LYS A 44 -28.225 -6.205 -0.139 1.00 0.00 H new ATOM 0 HA LYS A 44 -27.650 -9.006 0.708 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -29.310 -7.796 -1.117 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -27.890 -7.974 -2.128 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -28.743 -10.362 -0.484 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -29.712 -9.957 -1.887 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -27.548 -9.893 -3.261 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -26.703 -10.508 -1.854 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -27.243 -12.537 -2.958 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -28.623 -12.389 -1.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -29.718 -12.504 -3.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -29.470 -10.824 -3.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -28.439 -11.813 -4.771 1.00 0.00 H new ATOM 705 N CYS A 45 -25.519 -7.171 -0.977 1.00 0.00 N ATOM 706 CA CYS A 45 -24.082 -7.140 -1.390 1.00 0.00 C ATOM 707 C CYS A 45 -23.181 -7.323 -0.166 1.00 0.00 C ATOM 708 O CYS A 45 -22.085 -7.846 -0.263 1.00 0.00 O ATOM 709 CB CYS A 45 -23.865 -5.759 -2.017 1.00 0.00 C ATOM 710 SG CYS A 45 -24.569 -5.737 -3.684 1.00 0.00 S ATOM 0 H CYS A 45 -26.042 -6.316 -1.166 1.00 0.00 H new ATOM 0 HA CYS A 45 -23.840 -7.940 -2.090 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -24.334 -4.991 -1.402 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -22.800 -5.529 -2.057 1.00 0.00 H new ATOM 0 HG CYS A 45 -25.289 -4.665 -3.837 1.00 0.00 H new ATOM 716 N SER A 46 -23.639 -6.901 0.986 1.00 0.00 N ATOM 717 CA SER A 46 -22.816 -7.054 2.226 1.00 0.00 C ATOM 718 C SER A 46 -22.650 -8.537 2.565 1.00 0.00 C ATOM 719 O SER A 46 -21.642 -8.950 3.104 1.00 0.00 O ATOM 720 CB SER A 46 -23.603 -6.338 3.325 1.00 0.00 C ATOM 721 OG SER A 46 -24.850 -6.994 3.512 1.00 0.00 O ATOM 0 H SER A 46 -24.547 -6.457 1.122 1.00 0.00 H new ATOM 0 HA SER A 46 -21.816 -6.637 2.110 1.00 0.00 H new ATOM 0 HB2 SER A 46 -23.035 -6.340 4.255 1.00 0.00 H new ATOM 0 HB3 SER A 46 -23.765 -5.295 3.052 1.00 0.00 H new ATOM 0 HG SER A 46 -25.486 -6.687 2.833 1.00 0.00 H new ATOM 727 N GLU A 47 -23.636 -9.338 2.246 1.00 0.00 N ATOM 728 CA GLU A 47 -23.543 -10.801 2.542 1.00 0.00 C ATOM 729 C GLU A 47 -22.455 -11.442 1.677 1.00 0.00 C ATOM 730 O GLU A 47 -21.837 -12.416 2.063 1.00 0.00 O ATOM 731 CB GLU A 47 -24.916 -11.375 2.188 1.00 0.00 C ATOM 732 CG GLU A 47 -25.858 -11.219 3.383 1.00 0.00 C ATOM 733 CD GLU A 47 -25.605 -12.347 4.385 1.00 0.00 C ATOM 734 OE1 GLU A 47 -24.610 -12.276 5.087 1.00 0.00 O ATOM 735 OE2 GLU A 47 -26.411 -13.262 4.433 1.00 0.00 O ATOM 0 H GLU A 47 -24.501 -9.042 1.794 1.00 0.00 H new ATOM 0 HA GLU A 47 -23.282 -10.994 3.583 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -25.325 -10.859 1.319 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -24.824 -12.427 1.919 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -25.699 -10.252 3.861 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -26.895 -11.242 3.047 1.00 0.00 H new ATOM 742 N ARG A 48 -22.218 -10.898 0.509 1.00 0.00 N ATOM 743 CA ARG A 48 -21.170 -11.464 -0.391 1.00 0.00 C ATOM 744 C ARG A 48 -19.826 -10.781 -0.124 1.00 0.00 C ATOM 745 O ARG A 48 -18.794 -11.423 -0.069 1.00 0.00 O ATOM 746 CB ARG A 48 -21.657 -11.157 -1.807 1.00 0.00 C ATOM 747 CG ARG A 48 -20.856 -11.986 -2.814 1.00 0.00 C ATOM 748 CD ARG A 48 -21.461 -11.817 -4.210 1.00 0.00 C ATOM 749 NE ARG A 48 -20.711 -12.774 -5.071 1.00 0.00 N ATOM 750 CZ ARG A 48 -20.354 -12.424 -6.276 1.00 0.00 C ATOM 751 NH1 ARG A 48 -21.194 -12.544 -7.267 1.00 0.00 N ATOM 752 NH2 ARG A 48 -19.155 -11.954 -6.490 1.00 0.00 N ATOM 0 H ARG A 48 -22.708 -10.083 0.140 1.00 0.00 H new ATOM 0 HA ARG A 48 -21.021 -12.533 -0.236 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -22.719 -11.385 -1.895 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -21.541 -10.094 -2.021 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -19.814 -11.667 -2.817 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -20.867 -13.037 -2.526 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -22.528 -12.040 -4.208 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -21.350 -10.793 -4.567 1.00 0.00 H new ATOM 0 HE ARG A 48 -20.477 -13.702 -4.719 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -22.131 -12.912 -7.100 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -20.914 -12.270 -8.209 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -18.498 -11.861 -5.715 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -18.875 -11.680 -7.432 1.00 0.00 H new ATOM 766 N TRP A 49 -19.835 -9.482 0.043 1.00 0.00 N ATOM 767 CA TRP A 49 -18.561 -8.745 0.311 1.00 0.00 C ATOM 768 C TRP A 49 -17.971 -9.184 1.656 1.00 0.00 C ATOM 769 O TRP A 49 -16.773 -9.145 1.859 1.00 0.00 O ATOM 770 CB TRP A 49 -18.952 -7.265 0.354 1.00 0.00 C ATOM 771 CG TRP A 49 -17.725 -6.427 0.524 1.00 0.00 C ATOM 772 CD1 TRP A 49 -17.350 -5.826 1.677 1.00 0.00 C ATOM 773 CD2 TRP A 49 -16.711 -6.086 -0.464 1.00 0.00 C ATOM 774 NE1 TRP A 49 -16.170 -5.137 1.459 1.00 0.00 N ATOM 775 CE2 TRP A 49 -15.736 -5.267 0.155 1.00 0.00 C ATOM 776 CE3 TRP A 49 -16.543 -6.404 -1.824 1.00 0.00 C ATOM 777 CZ2 TRP A 49 -14.635 -4.781 -0.550 1.00 0.00 C ATOM 778 CZ3 TRP A 49 -15.436 -5.916 -2.537 1.00 0.00 C ATOM 779 CH2 TRP A 49 -14.484 -5.106 -1.902 1.00 0.00 C ATOM 0 H TRP A 49 -20.671 -8.899 0.005 1.00 0.00 H new ATOM 0 HA TRP A 49 -17.805 -8.941 -0.449 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -19.469 -6.988 -0.565 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -19.644 -7.085 1.176 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -17.884 -5.876 2.614 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -15.681 -4.599 2.174 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -17.270 -7.027 -2.323 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -13.904 -4.158 -0.055 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -15.317 -6.166 -3.581 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -13.635 -4.733 -2.456 1.00 0.00 H new ATOM 790 N LYS A 50 -18.808 -9.599 2.573 1.00 0.00 N ATOM 791 CA LYS A 50 -18.306 -10.042 3.910 1.00 0.00 C ATOM 792 C LYS A 50 -17.657 -11.427 3.809 1.00 0.00 C ATOM 793 O LYS A 50 -16.824 -11.787 4.620 1.00 0.00 O ATOM 794 CB LYS A 50 -19.546 -10.095 4.803 1.00 0.00 C ATOM 795 CG LYS A 50 -19.847 -8.695 5.340 1.00 0.00 C ATOM 796 CD LYS A 50 -18.905 -8.382 6.504 1.00 0.00 C ATOM 797 CE LYS A 50 -19.475 -8.972 7.796 1.00 0.00 C ATOM 798 NZ LYS A 50 -18.542 -8.525 8.867 1.00 0.00 N ATOM 0 H LYS A 50 -19.820 -9.650 2.453 1.00 0.00 H new ATOM 0 HA LYS A 50 -17.546 -9.368 4.305 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -20.399 -10.470 4.238 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -19.383 -10.786 5.630 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -19.723 -7.956 4.549 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -20.884 -8.636 5.671 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -17.917 -8.797 6.307 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -18.783 -7.304 6.607 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -20.488 -8.614 7.980 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -19.525 -10.060 7.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -18.867 -8.891 9.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -17.587 -8.886 8.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -18.520 -7.486 8.897 1.00 0.00 H new ATOM 812 N THR A 51 -18.032 -12.203 2.823 1.00 0.00 N ATOM 813 CA THR A 51 -17.438 -13.567 2.669 1.00 0.00 C ATOM 814 C THR A 51 -16.378 -13.578 1.559 1.00 0.00 C ATOM 815 O THR A 51 -15.521 -14.440 1.521 1.00 0.00 O ATOM 816 CB THR A 51 -18.614 -14.483 2.309 1.00 0.00 C ATOM 817 OG1 THR A 51 -18.140 -15.811 2.139 1.00 0.00 O ATOM 818 CG2 THR A 51 -19.277 -14.010 1.012 1.00 0.00 C ATOM 0 H THR A 51 -18.724 -11.951 2.118 1.00 0.00 H new ATOM 0 HA THR A 51 -16.934 -13.894 3.579 1.00 0.00 H new ATOM 0 HB THR A 51 -19.348 -14.451 3.114 1.00 0.00 H new ATOM 0 HG1 THR A 51 -18.890 -16.399 1.910 1.00 0.00 H new ATOM 0 HG21 THR A 51 -20.110 -14.669 0.768 1.00 0.00 H new ATOM 0 HG22 THR A 51 -19.645 -12.992 1.142 1.00 0.00 H new ATOM 0 HG23 THR A 51 -18.548 -14.032 0.202 1.00 0.00 H new ATOM 826 N MET A 52 -16.430 -12.628 0.653 1.00 0.00 N ATOM 827 CA MET A 52 -15.425 -12.585 -0.458 1.00 0.00 C ATOM 828 C MET A 52 -14.001 -12.534 0.109 1.00 0.00 C ATOM 829 O MET A 52 -13.761 -11.961 1.154 1.00 0.00 O ATOM 830 CB MET A 52 -15.737 -11.304 -1.236 1.00 0.00 C ATOM 831 CG MET A 52 -16.820 -11.592 -2.279 1.00 0.00 C ATOM 832 SD MET A 52 -17.496 -10.030 -2.896 1.00 0.00 S ATOM 833 CE MET A 52 -16.014 -9.468 -3.769 1.00 0.00 C ATOM 0 H MET A 52 -17.125 -11.881 0.636 1.00 0.00 H new ATOM 0 HA MET A 52 -15.482 -13.470 -1.092 1.00 0.00 H new ATOM 0 HB2 MET A 52 -16.073 -10.524 -0.553 1.00 0.00 H new ATOM 0 HB3 MET A 52 -14.836 -10.934 -1.725 1.00 0.00 H new ATOM 0 HG2 MET A 52 -16.402 -12.170 -3.103 1.00 0.00 H new ATOM 0 HG3 MET A 52 -17.614 -12.195 -1.838 1.00 0.00 H new ATOM 0 HE1 MET A 52 -15.524 -8.687 -3.188 1.00 0.00 H new ATOM 0 HE2 MET A 52 -15.330 -10.306 -3.901 1.00 0.00 H new ATOM 0 HE3 MET A 52 -16.295 -9.072 -4.745 1.00 0.00 H new ATOM 843 N SER A 53 -13.061 -13.136 -0.575 1.00 0.00 N ATOM 844 CA SER A 53 -11.650 -13.133 -0.083 1.00 0.00 C ATOM 845 C SER A 53 -10.870 -11.970 -0.704 1.00 0.00 C ATOM 846 O SER A 53 -11.413 -11.171 -1.442 1.00 0.00 O ATOM 847 CB SER A 53 -11.069 -14.470 -0.539 1.00 0.00 C ATOM 848 OG SER A 53 -11.176 -14.569 -1.954 1.00 0.00 O ATOM 0 H SER A 53 -13.210 -13.630 -1.455 1.00 0.00 H new ATOM 0 HA SER A 53 -11.593 -13.009 0.998 1.00 0.00 H new ATOM 0 HB2 SER A 53 -10.025 -14.549 -0.235 1.00 0.00 H new ATOM 0 HB3 SER A 53 -11.603 -15.293 -0.064 1.00 0.00 H new ATOM 0 HG SER A 53 -10.803 -15.425 -2.251 1.00 0.00 H new ATOM 854 N ALA A 54 -9.599 -11.877 -0.407 1.00 0.00 N ATOM 855 CA ALA A 54 -8.769 -10.770 -0.973 1.00 0.00 C ATOM 856 C ALA A 54 -8.548 -10.977 -2.476 1.00 0.00 C ATOM 857 O ALA A 54 -8.278 -10.038 -3.202 1.00 0.00 O ATOM 858 CB ALA A 54 -7.437 -10.843 -0.223 1.00 0.00 C ATOM 0 H ALA A 54 -9.099 -12.522 0.205 1.00 0.00 H new ATOM 0 HA ALA A 54 -9.252 -9.800 -0.856 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -6.772 -10.059 -0.585 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -7.612 -10.707 0.844 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -6.976 -11.816 -0.393 1.00 0.00 H new ATOM 864 N LYS A 55 -8.662 -12.194 -2.949 1.00 0.00 N ATOM 865 CA LYS A 55 -8.461 -12.456 -4.407 1.00 0.00 C ATOM 866 C LYS A 55 -9.586 -11.802 -5.210 1.00 0.00 C ATOM 867 O LYS A 55 -9.398 -11.392 -6.341 1.00 0.00 O ATOM 868 CB LYS A 55 -8.512 -13.978 -4.556 1.00 0.00 C ATOM 869 CG LYS A 55 -7.237 -14.593 -3.975 1.00 0.00 C ATOM 870 CD LYS A 55 -7.190 -16.085 -4.314 1.00 0.00 C ATOM 871 CE LYS A 55 -5.964 -16.721 -3.654 1.00 0.00 C ATOM 872 NZ LYS A 55 -5.826 -18.052 -4.306 1.00 0.00 N ATOM 0 H LYS A 55 -8.885 -13.016 -2.388 1.00 0.00 H new ATOM 0 HA LYS A 55 -7.520 -12.048 -4.775 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -9.387 -14.375 -4.041 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -8.612 -14.248 -5.607 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -6.360 -14.089 -4.381 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -7.213 -14.454 -2.894 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -8.099 -16.576 -3.967 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -7.146 -16.222 -5.394 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -5.073 -16.112 -3.806 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -6.102 -16.821 -2.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -5.006 -18.551 -3.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -6.687 -18.611 -4.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -5.689 -17.925 -5.329 1.00 0.00 H new ATOM 886 N GLU A 56 -10.751 -11.703 -4.628 1.00 0.00 N ATOM 887 CA GLU A 56 -11.902 -11.075 -5.337 1.00 0.00 C ATOM 888 C GLU A 56 -12.055 -9.620 -4.894 1.00 0.00 C ATOM 889 O GLU A 56 -12.275 -8.734 -5.699 1.00 0.00 O ATOM 890 CB GLU A 56 -13.117 -11.898 -4.912 1.00 0.00 C ATOM 891 CG GLU A 56 -13.171 -13.184 -5.736 1.00 0.00 C ATOM 892 CD GLU A 56 -14.573 -13.790 -5.648 1.00 0.00 C ATOM 893 OE1 GLU A 56 -15.411 -13.415 -6.450 1.00 0.00 O ATOM 894 OE2 GLU A 56 -14.784 -14.619 -4.778 1.00 0.00 O ATOM 0 H GLU A 56 -10.955 -12.033 -3.685 1.00 0.00 H new ATOM 0 HA GLU A 56 -11.774 -11.067 -6.419 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -13.056 -12.136 -3.850 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -14.030 -11.321 -5.058 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -12.919 -12.973 -6.775 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -12.432 -13.896 -5.367 1.00 0.00 H new ATOM 901 N LYS A 57 -11.933 -9.370 -3.616 1.00 0.00 N ATOM 902 CA LYS A 57 -12.062 -7.973 -3.102 1.00 0.00 C ATOM 903 C LYS A 57 -10.910 -7.104 -3.624 1.00 0.00 C ATOM 904 O LYS A 57 -11.011 -5.892 -3.666 1.00 0.00 O ATOM 905 CB LYS A 57 -11.990 -8.097 -1.578 1.00 0.00 C ATOM 906 CG LYS A 57 -13.394 -8.329 -1.018 1.00 0.00 C ATOM 907 CD LYS A 57 -13.305 -8.616 0.482 1.00 0.00 C ATOM 908 CE LYS A 57 -13.117 -7.302 1.244 1.00 0.00 C ATOM 909 NZ LYS A 57 -12.660 -7.709 2.602 1.00 0.00 N ATOM 0 H LYS A 57 -11.749 -10.076 -2.903 1.00 0.00 H new ATOM 0 HA LYS A 57 -12.989 -7.502 -3.429 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -11.335 -8.923 -1.300 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -11.561 -7.192 -1.149 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -14.017 -7.452 -1.195 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -13.868 -9.165 -1.531 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -14.211 -9.119 0.821 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -12.472 -9.289 0.685 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -12.382 -6.663 0.755 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -14.048 -6.737 1.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -12.509 -6.862 3.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -13.383 -8.311 3.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -11.769 -8.239 2.524 1.00 0.00 H new ATOM 923 N SER A 58 -9.816 -7.713 -4.018 1.00 0.00 N ATOM 924 CA SER A 58 -8.656 -6.921 -4.534 1.00 0.00 C ATOM 925 C SER A 58 -9.050 -6.171 -5.810 1.00 0.00 C ATOM 926 O SER A 58 -8.552 -5.095 -6.084 1.00 0.00 O ATOM 927 CB SER A 58 -7.565 -7.949 -4.835 1.00 0.00 C ATOM 928 OG SER A 58 -8.143 -9.068 -5.494 1.00 0.00 O ATOM 0 H SER A 58 -9.677 -8.723 -4.004 1.00 0.00 H new ATOM 0 HA SER A 58 -8.321 -6.174 -3.815 1.00 0.00 H new ATOM 0 HB2 SER A 58 -6.792 -7.503 -5.461 1.00 0.00 H new ATOM 0 HB3 SER A 58 -7.083 -8.266 -3.910 1.00 0.00 H new ATOM 0 HG SER A 58 -7.986 -9.877 -4.964 1.00 0.00 H new ATOM 934 N LYS A 59 -9.940 -6.732 -6.588 1.00 0.00 N ATOM 935 CA LYS A 59 -10.370 -6.055 -7.851 1.00 0.00 C ATOM 936 C LYS A 59 -11.080 -4.738 -7.529 1.00 0.00 C ATOM 937 O LYS A 59 -11.045 -3.799 -8.302 1.00 0.00 O ATOM 938 CB LYS A 59 -11.336 -7.031 -8.526 1.00 0.00 C ATOM 939 CG LYS A 59 -11.647 -6.545 -9.943 1.00 0.00 C ATOM 940 CD LYS A 59 -12.357 -7.654 -10.722 1.00 0.00 C ATOM 941 CE LYS A 59 -12.723 -7.145 -12.117 1.00 0.00 C ATOM 942 NZ LYS A 59 -11.459 -7.222 -12.899 1.00 0.00 N ATOM 0 H LYS A 59 -10.388 -7.630 -6.404 1.00 0.00 H new ATOM 0 HA LYS A 59 -9.523 -5.814 -8.494 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -10.897 -8.028 -8.560 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -12.256 -7.108 -7.946 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -12.275 -5.655 -9.903 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -10.725 -6.262 -10.452 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -11.711 -8.528 -10.800 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -13.255 -7.968 -10.191 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -13.504 -7.757 -12.568 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -13.101 -6.123 -12.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -11.282 -6.309 -13.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -10.669 -7.444 -12.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -11.542 -7.967 -13.620 1.00 0.00 H new ATOM 956 N PHE A 60 -11.725 -4.665 -6.392 1.00 0.00 N ATOM 957 CA PHE A 60 -12.441 -3.412 -6.009 1.00 0.00 C ATOM 958 C PHE A 60 -11.515 -2.496 -5.205 1.00 0.00 C ATOM 959 O PHE A 60 -11.654 -1.286 -5.228 1.00 0.00 O ATOM 960 CB PHE A 60 -13.616 -3.877 -5.147 1.00 0.00 C ATOM 961 CG PHE A 60 -14.653 -4.537 -6.024 1.00 0.00 C ATOM 962 CD1 PHE A 60 -15.562 -3.752 -6.744 1.00 0.00 C ATOM 963 CD2 PHE A 60 -14.706 -5.932 -6.118 1.00 0.00 C ATOM 964 CE1 PHE A 60 -16.524 -4.363 -7.557 1.00 0.00 C ATOM 965 CE2 PHE A 60 -15.667 -6.543 -6.931 1.00 0.00 C ATOM 966 CZ PHE A 60 -16.576 -5.759 -7.651 1.00 0.00 C ATOM 0 H PHE A 60 -11.786 -5.422 -5.711 1.00 0.00 H new ATOM 0 HA PHE A 60 -12.771 -2.843 -6.878 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -13.269 -4.577 -4.387 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -14.055 -3.028 -4.623 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -15.521 -2.675 -6.672 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -14.005 -6.537 -5.563 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -17.226 -3.758 -8.112 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -15.707 -7.620 -7.003 1.00 0.00 H new ATOM 0 HZ PHE A 60 -17.317 -6.231 -8.279 1.00 0.00 H new ATOM 976 N GLU A 61 -10.572 -3.063 -4.497 1.00 0.00 N ATOM 977 CA GLU A 61 -9.631 -2.230 -3.688 1.00 0.00 C ATOM 978 C GLU A 61 -8.643 -1.504 -4.606 1.00 0.00 C ATOM 979 O GLU A 61 -8.157 -0.435 -4.286 1.00 0.00 O ATOM 980 CB GLU A 61 -8.894 -3.219 -2.782 1.00 0.00 C ATOM 981 CG GLU A 61 -9.786 -3.586 -1.594 1.00 0.00 C ATOM 982 CD GLU A 61 -9.723 -2.475 -0.545 1.00 0.00 C ATOM 983 OE1 GLU A 61 -10.373 -1.462 -0.744 1.00 0.00 O ATOM 984 OE2 GLU A 61 -9.028 -2.657 0.440 1.00 0.00 O ATOM 0 H GLU A 61 -10.413 -4.069 -4.444 1.00 0.00 H new ATOM 0 HA GLU A 61 -10.152 -1.465 -3.113 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -8.631 -4.116 -3.343 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -7.962 -2.779 -2.428 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -10.814 -3.727 -1.928 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -9.459 -4.530 -1.159 1.00 0.00 H new ATOM 991 N ASP A 62 -8.346 -2.079 -5.744 1.00 0.00 N ATOM 992 CA ASP A 62 -7.390 -1.429 -6.692 1.00 0.00 C ATOM 993 C ASP A 62 -8.075 -0.269 -7.419 1.00 0.00 C ATOM 994 O ASP A 62 -7.438 0.690 -7.813 1.00 0.00 O ATOM 995 CB ASP A 62 -6.998 -2.526 -7.682 1.00 0.00 C ATOM 996 CG ASP A 62 -5.750 -2.094 -8.456 1.00 0.00 C ATOM 997 OD1 ASP A 62 -4.686 -2.075 -7.862 1.00 0.00 O ATOM 998 OD2 ASP A 62 -5.882 -1.790 -9.630 1.00 0.00 O ATOM 0 H ASP A 62 -8.725 -2.972 -6.058 1.00 0.00 H new ATOM 0 HA ASP A 62 -6.521 -1.016 -6.181 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -6.805 -3.458 -7.151 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -7.819 -2.717 -8.373 1.00 0.00 H new ATOM 1003 N MET A 63 -9.369 -0.351 -7.598 1.00 0.00 N ATOM 1004 CA MET A 63 -10.106 0.745 -8.299 1.00 0.00 C ATOM 1005 C MET A 63 -10.381 1.899 -7.331 1.00 0.00 C ATOM 1006 O MET A 63 -10.476 3.044 -7.730 1.00 0.00 O ATOM 1007 CB MET A 63 -11.418 0.110 -8.763 1.00 0.00 C ATOM 1008 CG MET A 63 -11.172 -0.696 -10.039 1.00 0.00 C ATOM 1009 SD MET A 63 -12.758 -1.177 -10.765 1.00 0.00 S ATOM 1010 CE MET A 63 -12.274 -1.008 -12.501 1.00 0.00 C ATOM 0 H MET A 63 -9.948 -1.131 -7.288 1.00 0.00 H new ATOM 0 HA MET A 63 -9.537 1.157 -9.132 1.00 0.00 H new ATOM 0 HB2 MET A 63 -11.817 -0.538 -7.982 1.00 0.00 H new ATOM 0 HB3 MET A 63 -12.164 0.884 -8.947 1.00 0.00 H new ATOM 0 HG2 MET A 63 -10.599 -0.103 -10.752 1.00 0.00 H new ATOM 0 HG3 MET A 63 -10.580 -1.583 -9.813 1.00 0.00 H new ATOM 0 HE1 MET A 63 -13.119 -1.262 -13.141 1.00 0.00 H new ATOM 0 HE2 MET A 63 -11.968 0.020 -12.695 1.00 0.00 H new ATOM 0 HE3 MET A 63 -11.443 -1.681 -12.714 1.00 0.00 H new ATOM 1020 N ALA A 64 -10.507 1.603 -6.062 1.00 0.00 N ATOM 1021 CA ALA A 64 -10.775 2.679 -5.059 1.00 0.00 C ATOM 1022 C ALA A 64 -9.481 3.428 -4.731 1.00 0.00 C ATOM 1023 O ALA A 64 -9.495 4.610 -4.445 1.00 0.00 O ATOM 1024 CB ALA A 64 -11.302 1.950 -3.822 1.00 0.00 C ATOM 0 H ALA A 64 -10.436 0.661 -5.676 1.00 0.00 H new ATOM 0 HA ALA A 64 -11.486 3.418 -5.427 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -11.522 2.675 -3.039 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -12.211 1.407 -4.080 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -10.549 1.248 -3.465 1.00 0.00 H new ATOM 1030 N LYS A 65 -8.365 2.745 -4.770 1.00 0.00 N ATOM 1031 CA LYS A 65 -7.062 3.410 -4.462 1.00 0.00 C ATOM 1032 C LYS A 65 -6.626 4.287 -5.639 1.00 0.00 C ATOM 1033 O LYS A 65 -5.948 5.281 -5.464 1.00 0.00 O ATOM 1034 CB LYS A 65 -6.067 2.266 -4.249 1.00 0.00 C ATOM 1035 CG LYS A 65 -4.850 2.785 -3.482 1.00 0.00 C ATOM 1036 CD LYS A 65 -5.202 2.925 -2.000 1.00 0.00 C ATOM 1037 CE LYS A 65 -3.917 3.031 -1.176 1.00 0.00 C ATOM 1038 NZ LYS A 65 -4.335 3.648 0.114 1.00 0.00 N ATOM 0 H LYS A 65 -8.300 1.754 -5.002 1.00 0.00 H new ATOM 0 HA LYS A 65 -7.128 4.058 -3.588 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -6.541 1.456 -3.695 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -5.757 1.856 -5.210 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -4.011 2.100 -3.604 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -4.537 3.748 -3.885 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -5.820 3.809 -1.844 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -5.787 2.066 -1.672 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -3.468 2.050 -1.017 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -3.172 3.644 -1.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -3.506 3.753 0.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -4.752 4.583 -0.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -5.039 3.039 0.578 1.00 0.00 H new ATOM 1052 N SER A 66 -7.016 3.924 -6.835 1.00 0.00 N ATOM 1053 CA SER A 66 -6.630 4.734 -8.032 1.00 0.00 C ATOM 1054 C SER A 66 -7.386 6.065 -8.030 1.00 0.00 C ATOM 1055 O SER A 66 -6.899 7.066 -8.522 1.00 0.00 O ATOM 1056 CB SER A 66 -7.035 3.889 -9.240 1.00 0.00 C ATOM 1057 OG SER A 66 -6.463 4.447 -10.416 1.00 0.00 O ATOM 0 H SER A 66 -7.585 3.102 -7.035 1.00 0.00 H new ATOM 0 HA SER A 66 -5.566 4.969 -8.044 1.00 0.00 H new ATOM 0 HB2 SER A 66 -6.696 2.861 -9.109 1.00 0.00 H new ATOM 0 HB3 SER A 66 -8.121 3.858 -9.329 1.00 0.00 H new ATOM 0 HG SER A 66 -6.719 3.907 -11.192 1.00 0.00 H new ATOM 1063 N ASP A 67 -8.573 6.080 -7.477 1.00 0.00 N ATOM 1064 CA ASP A 67 -9.370 7.341 -7.436 1.00 0.00 C ATOM 1065 C ASP A 67 -8.952 8.189 -6.231 1.00 0.00 C ATOM 1066 O ASP A 67 -9.032 9.403 -6.259 1.00 0.00 O ATOM 1067 CB ASP A 67 -10.823 6.886 -7.293 1.00 0.00 C ATOM 1068 CG ASP A 67 -11.323 6.347 -8.635 1.00 0.00 C ATOM 1069 OD1 ASP A 67 -11.298 7.096 -9.598 1.00 0.00 O ATOM 1070 OD2 ASP A 67 -11.723 5.195 -8.676 1.00 0.00 O ATOM 0 H ASP A 67 -9.024 5.270 -7.051 1.00 0.00 H new ATOM 0 HA ASP A 67 -9.221 7.955 -8.325 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -10.900 6.114 -6.527 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -11.446 7.720 -6.969 1.00 0.00 H new ATOM 1075 N LYS A 68 -8.506 7.555 -5.176 1.00 0.00 N ATOM 1076 CA LYS A 68 -8.078 8.318 -3.963 1.00 0.00 C ATOM 1077 C LYS A 68 -6.774 9.067 -4.246 1.00 0.00 C ATOM 1078 O LYS A 68 -6.539 10.140 -3.721 1.00 0.00 O ATOM 1079 CB LYS A 68 -7.864 7.261 -2.877 1.00 0.00 C ATOM 1080 CG LYS A 68 -8.285 7.828 -1.520 1.00 0.00 C ATOM 1081 CD LYS A 68 -7.273 8.884 -1.072 1.00 0.00 C ATOM 1082 CE LYS A 68 -7.475 9.187 0.415 1.00 0.00 C ATOM 1083 NZ LYS A 68 -6.167 9.727 0.878 1.00 0.00 N ATOM 0 H LYS A 68 -8.420 6.541 -5.102 1.00 0.00 H new ATOM 0 HA LYS A 68 -8.816 9.062 -3.663 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -8.445 6.367 -3.105 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -6.816 6.961 -2.848 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -9.279 8.269 -1.591 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -8.343 7.028 -0.782 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -6.258 8.527 -1.247 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -7.397 9.794 -1.659 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -8.276 9.910 0.565 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -7.749 8.288 0.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -6.226 9.959 1.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -5.425 9.014 0.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -5.936 10.586 0.339 1.00 0.00 H new ATOM 1097 N ALA A 69 -5.928 8.510 -5.075 1.00 0.00 N ATOM 1098 CA ALA A 69 -4.636 9.182 -5.402 1.00 0.00 C ATOM 1099 C ALA A 69 -4.840 10.195 -6.531 1.00 0.00 C ATOM 1100 O ALA A 69 -4.170 11.208 -6.596 1.00 0.00 O ATOM 1101 CB ALA A 69 -3.705 8.056 -5.852 1.00 0.00 C ATOM 0 H ALA A 69 -6.078 7.615 -5.541 1.00 0.00 H new ATOM 0 HA ALA A 69 -4.229 9.730 -4.553 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -2.731 8.471 -6.111 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.589 7.335 -5.043 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -4.131 7.558 -6.723 1.00 0.00 H new ATOM 1107 N ARG A 70 -5.763 9.925 -7.419 1.00 0.00 N ATOM 1108 CA ARG A 70 -6.021 10.868 -8.551 1.00 0.00 C ATOM 1109 C ARG A 70 -6.580 12.197 -8.026 1.00 0.00 C ATOM 1110 O ARG A 70 -6.473 13.219 -8.676 1.00 0.00 O ATOM 1111 CB ARG A 70 -7.054 10.166 -9.434 1.00 0.00 C ATOM 1112 CG ARG A 70 -7.051 10.800 -10.827 1.00 0.00 C ATOM 1113 CD ARG A 70 -7.806 9.894 -11.803 1.00 0.00 C ATOM 1114 NE ARG A 70 -8.091 10.756 -12.983 1.00 0.00 N ATOM 1115 CZ ARG A 70 -9.240 10.662 -13.596 1.00 0.00 C ATOM 1116 NH1 ARG A 70 -10.316 11.151 -13.043 1.00 0.00 N ATOM 1117 NH2 ARG A 70 -9.312 10.081 -14.762 1.00 0.00 N ATOM 0 H ARG A 70 -6.350 9.091 -7.409 1.00 0.00 H new ATOM 0 HA ARG A 70 -5.109 11.103 -9.100 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -6.824 9.103 -9.506 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -8.045 10.248 -8.988 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -7.519 11.784 -10.791 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -6.027 10.947 -11.169 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -7.206 9.028 -12.082 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -8.726 9.515 -11.359 1.00 0.00 H new ATOM 0 HE ARG A 70 -7.389 11.419 -13.312 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -10.259 11.607 -12.132 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -11.214 11.078 -13.522 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -8.471 9.700 -15.195 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -10.210 10.008 -15.241 1.00 0.00 H new ATOM 1131 N TYR A 71 -7.175 12.188 -6.857 1.00 0.00 N ATOM 1132 CA TYR A 71 -7.744 13.453 -6.288 1.00 0.00 C ATOM 1133 C TYR A 71 -6.657 14.526 -6.171 1.00 0.00 C ATOM 1134 O TYR A 71 -6.935 15.709 -6.221 1.00 0.00 O ATOM 1135 CB TYR A 71 -8.268 13.070 -4.901 1.00 0.00 C ATOM 1136 CG TYR A 71 -9.123 14.190 -4.359 1.00 0.00 C ATOM 1137 CD1 TYR A 71 -8.525 15.273 -3.703 1.00 0.00 C ATOM 1138 CD2 TYR A 71 -10.514 14.146 -4.514 1.00 0.00 C ATOM 1139 CE1 TYR A 71 -9.318 16.312 -3.201 1.00 0.00 C ATOM 1140 CE2 TYR A 71 -11.307 15.185 -4.012 1.00 0.00 C ATOM 1141 CZ TYR A 71 -10.709 16.267 -3.356 1.00 0.00 C ATOM 1142 OH TYR A 71 -11.491 17.291 -2.861 1.00 0.00 O ATOM 0 H TYR A 71 -7.292 11.361 -6.272 1.00 0.00 H new ATOM 0 HA TYR A 71 -8.529 13.866 -6.921 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -8.850 12.150 -4.962 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -7.434 12.876 -4.226 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -7.452 15.307 -3.584 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -10.975 13.311 -5.021 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -8.857 17.147 -2.695 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -12.380 15.151 -4.131 1.00 0.00 H new ATOM 0 HH TYR A 71 -12.434 17.105 -3.054 1.00 0.00 H new ATOM 1152 N ASP A 72 -5.422 14.118 -6.017 1.00 0.00 N ATOM 1153 CA ASP A 72 -4.310 15.112 -5.898 1.00 0.00 C ATOM 1154 C ASP A 72 -4.095 15.824 -7.236 1.00 0.00 C ATOM 1155 O ASP A 72 -3.708 16.977 -7.278 1.00 0.00 O ATOM 1156 CB ASP A 72 -3.074 14.291 -5.522 1.00 0.00 C ATOM 1157 CG ASP A 72 -1.946 15.233 -5.095 1.00 0.00 C ATOM 1158 OD1 ASP A 72 -2.072 15.837 -4.044 1.00 0.00 O ATOM 1159 OD2 ASP A 72 -0.975 15.332 -5.828 1.00 0.00 O ATOM 0 H ASP A 72 -5.135 13.140 -5.969 1.00 0.00 H new ATOM 0 HA ASP A 72 -4.524 15.882 -5.157 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -3.314 13.603 -4.711 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -2.755 13.685 -6.370 1.00 0.00 H new ATOM 1164 N ARG A 73 -4.345 15.143 -8.325 1.00 0.00 N ATOM 1165 CA ARG A 73 -4.161 15.772 -9.668 1.00 0.00 C ATOM 1166 C ARG A 73 -5.520 15.996 -10.336 1.00 0.00 C ATOM 1167 O ARG A 73 -5.641 15.949 -11.545 1.00 0.00 O ATOM 1168 CB ARG A 73 -3.331 14.765 -10.465 1.00 0.00 C ATOM 1169 CG ARG A 73 -1.856 14.904 -10.086 1.00 0.00 C ATOM 1170 CD ARG A 73 -1.041 13.820 -10.796 1.00 0.00 C ATOM 1171 NE ARG A 73 -0.831 14.339 -12.175 1.00 0.00 N ATOM 1172 CZ ARG A 73 -1.557 13.884 -13.161 1.00 0.00 C ATOM 1173 NH1 ARG A 73 -1.394 12.659 -13.579 1.00 0.00 N ATOM 1174 NH2 ARG A 73 -2.443 14.655 -13.728 1.00 0.00 N ATOM 0 H ARG A 73 -4.669 14.176 -8.342 1.00 0.00 H new ATOM 0 HA ARG A 73 -3.673 16.745 -9.607 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -3.676 13.751 -10.261 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -3.460 14.936 -11.534 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -1.489 15.891 -10.366 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -1.737 14.814 -9.006 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -0.091 13.646 -10.291 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -1.574 12.870 -10.809 1.00 0.00 H new ATOM 0 HE ARG A 73 -0.121 15.050 -12.350 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -0.700 12.057 -13.136 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -1.961 12.303 -14.349 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -2.569 15.613 -13.402 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -3.010 14.300 -14.498 1.00 0.00 H new ATOM 1188 N GLU A 74 -6.541 16.238 -9.553 1.00 0.00 N ATOM 1189 CA GLU A 74 -7.899 16.466 -10.132 1.00 0.00 C ATOM 1190 C GLU A 74 -8.259 17.953 -10.068 1.00 0.00 C ATOM 1191 O GLU A 74 -8.942 18.471 -10.931 1.00 0.00 O ATOM 1192 CB GLU A 74 -8.845 15.646 -9.254 1.00 0.00 C ATOM 1193 CG GLU A 74 -10.195 15.497 -9.957 1.00 0.00 C ATOM 1194 CD GLU A 74 -11.131 14.651 -9.092 1.00 0.00 C ATOM 1195 OE1 GLU A 74 -11.448 15.088 -7.998 1.00 0.00 O ATOM 1196 OE2 GLU A 74 -11.514 13.583 -9.537 1.00 0.00 O ATOM 0 H GLU A 74 -6.492 16.287 -8.535 1.00 0.00 H new ATOM 0 HA GLU A 74 -7.957 16.171 -11.180 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -8.415 14.664 -9.057 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -8.978 16.135 -8.289 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -10.635 16.478 -10.134 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -10.060 15.027 -10.931 1.00 0.00 H new ATOM 1203 N MET A 75 -7.802 18.639 -9.051 1.00 0.00 N ATOM 1204 CA MET A 75 -8.113 20.094 -8.921 1.00 0.00 C ATOM 1205 C MET A 75 -7.022 20.930 -9.593 1.00 0.00 C ATOM 1206 O MET A 75 -7.280 22.000 -10.113 1.00 0.00 O ATOM 1207 CB MET A 75 -8.142 20.359 -7.416 1.00 0.00 C ATOM 1208 CG MET A 75 -9.450 19.829 -6.828 1.00 0.00 C ATOM 1209 SD MET A 75 -9.422 20.013 -5.027 1.00 0.00 S ATOM 1210 CE MET A 75 -10.067 21.702 -4.962 1.00 0.00 C ATOM 0 H MET A 75 -7.225 18.253 -8.304 1.00 0.00 H new ATOM 0 HA MET A 75 -9.055 20.360 -9.400 1.00 0.00 H new ATOM 0 HB2 MET A 75 -7.292 19.875 -6.935 1.00 0.00 H new ATOM 0 HB3 MET A 75 -8.051 21.428 -7.223 1.00 0.00 H new ATOM 0 HG2 MET A 75 -10.296 20.374 -7.247 1.00 0.00 H new ATOM 0 HG3 MET A 75 -9.582 18.781 -7.095 1.00 0.00 H new ATOM 0 HE1 MET A 75 -10.135 22.026 -3.923 1.00 0.00 H new ATOM 0 HE2 MET A 75 -9.398 22.368 -5.507 1.00 0.00 H new ATOM 0 HE3 MET A 75 -11.057 21.731 -5.416 1.00 0.00 H new ATOM 1220 N LYS A 76 -5.805 20.448 -9.588 1.00 0.00 N ATOM 1221 CA LYS A 76 -4.688 21.208 -10.225 1.00 0.00 C ATOM 1222 C LYS A 76 -4.566 20.828 -11.703 1.00 0.00 C ATOM 1223 O LYS A 76 -4.936 19.741 -12.105 1.00 0.00 O ATOM 1224 CB LYS A 76 -3.434 20.786 -9.457 1.00 0.00 C ATOM 1225 CG LYS A 76 -3.453 21.417 -8.063 1.00 0.00 C ATOM 1226 CD LYS A 76 -3.146 22.912 -8.175 1.00 0.00 C ATOM 1227 CE LYS A 76 -2.875 23.484 -6.781 1.00 0.00 C ATOM 1228 NZ LYS A 76 -2.749 24.954 -6.987 1.00 0.00 N ATOM 0 H LYS A 76 -5.537 19.558 -9.169 1.00 0.00 H new ATOM 0 HA LYS A 76 -4.846 22.286 -10.186 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -3.393 19.700 -9.376 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -2.541 21.099 -9.998 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -4.428 21.269 -7.598 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -2.717 20.931 -7.422 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -2.280 23.069 -8.819 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -3.985 23.433 -8.636 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -3.688 23.250 -6.093 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -1.964 23.066 -6.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -2.562 25.418 -6.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -1.964 25.147 -7.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -3.633 25.325 -7.389 1.00 0.00 H new ATOM 1242 N ASN A 77 -4.047 21.718 -12.511 1.00 0.00 N ATOM 1243 CA ASN A 77 -3.896 21.418 -13.966 1.00 0.00 C ATOM 1244 C ASN A 77 -2.647 22.109 -14.521 1.00 0.00 C ATOM 1245 O ASN A 77 -2.572 22.273 -15.728 1.00 0.00 O ATOM 1246 CB ASN A 77 -5.157 21.983 -14.620 1.00 0.00 C ATOM 1247 CG ASN A 77 -5.338 21.359 -16.005 1.00 0.00 C ATOM 1248 OD1 ASN A 77 -5.413 20.153 -16.136 1.00 0.00 O ATOM 1249 ND2 ASN A 77 -5.411 22.134 -17.052 1.00 0.00 N ATOM 1250 OXT ASN A 77 -1.789 22.462 -13.729 1.00 0.00 O ATOM 0 H ASN A 77 -3.721 22.641 -12.224 1.00 0.00 H new ATOM 0 HA ASN A 77 -3.781 20.351 -14.158 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -6.027 21.773 -13.998 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -5.081 23.067 -14.705 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -5.531 21.728 -17.980 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -5.348 23.146 -16.943 1.00 0.00 H new TER 1257 ASN A 77