USER MOD reduce.3.24.130724 H: found=0, std=0, add=680, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 677 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 NoAdj-H: A 44 HIS HE2 : A 44 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 48 HIS HE2 : A 48 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD Set 1.1: A 26 TYR OH : rot 180:sc= 0.0356 USER MOD Set 1.2: A 37 SER OG : rot 10:sc= 0.372 USER MOD Set 1.3: A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -110:sc= 0.0456 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot -8:sc= 0.819 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= -3.15! C(o=-3.2!,f=-4.3!) USER MOD Single : A 22 GLN : amide:sc= -5.66! C(o=-5.7!,f=-13!) USER MOD Single : A 23 ASN : amide:sc= -0.0838 K(o=-0.084,f=-0.63) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -0.695 K(o=-0.69,f=0) USER MOD Single : A 29 LYS NZ :NH3+ 129:sc= -0.158 (180deg=-0.9) USER MOD Single : A 30 HIS : no HD1:sc= -0.328 K(o=-0.33,f=-1.1) USER MOD Single : A 33 SER OG : rot 106:sc= 1.25 USER MOD Single : A 34 LYS NZ :NH3+ -164:sc=-0.00933 (180deg=-0.147) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 THR OG1 : rot 66:sc= 0.00104 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= -1.26 K(o=-1.3,f=-0.54) USER MOD Single : A 49 ASN : amide:sc= -0.0771 X(o=-0.077,f=-0.27) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 LYS NZ :NH3+ 164:sc= -0.0145 (180deg=-0.203) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= -0.823 X(o=-0.82,f=-0.48) USER MOD Single : A 67 SER OG : rot 14:sc= 0.839 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= -0.999 K(o=-1,f=-1.9!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ -143:sc= -0.599 (180deg=-2.08!) USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 SER OG : rot 27:sc= 1.26 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= -0.143 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -34.381 -3.898 -58.083 1.00 0.00 N ATOM 2 CA GLY A 1 -33.279 -4.635 -57.494 1.00 0.00 C ATOM 3 C GLY A 1 -32.706 -3.944 -56.273 1.00 0.00 C ATOM 4 O GLY A 1 -32.817 -2.726 -56.131 1.00 0.00 O ATOM 0 H1 GLY A 1 -35.269 -4.415 -57.923 1.00 0.00 H new ATOM 0 H2 GLY A 1 -34.444 -2.957 -57.644 1.00 0.00 H new ATOM 0 H3 GLY A 1 -34.221 -3.793 -59.105 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -33.620 -5.632 -57.216 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -32.493 -4.763 -58.238 1.00 0.00 H new ATOM 8 N SER A 2 -32.092 -4.723 -55.387 1.00 0.00 N ATOM 9 CA SER A 2 -31.505 -4.179 -54.169 1.00 0.00 C ATOM 10 C SER A 2 -30.275 -3.334 -54.489 1.00 0.00 C ATOM 11 O SER A 2 -29.849 -3.249 -55.640 1.00 0.00 O ATOM 12 CB SER A 2 -31.125 -5.310 -53.212 1.00 0.00 C ATOM 13 OG SER A 2 -32.257 -6.091 -52.870 1.00 0.00 O ATOM 0 H SER A 2 -31.989 -5.732 -55.491 1.00 0.00 H new ATOM 0 HA SER A 2 -32.248 -3.541 -53.690 1.00 0.00 H new ATOM 0 HB2 SER A 2 -30.369 -5.944 -53.675 1.00 0.00 H new ATOM 0 HB3 SER A 2 -30.681 -4.892 -52.308 1.00 0.00 H new ATOM 0 HG SER A 2 -31.987 -6.808 -52.259 1.00 0.00 H new ATOM 19 N SER A 3 -29.710 -2.709 -53.460 1.00 0.00 N ATOM 20 CA SER A 3 -28.532 -1.867 -53.631 1.00 0.00 C ATOM 21 C SER A 3 -27.350 -2.420 -52.839 1.00 0.00 C ATOM 22 O SER A 3 -26.609 -1.671 -52.204 1.00 0.00 O ATOM 23 CB SER A 3 -28.834 -0.435 -53.185 1.00 0.00 C ATOM 24 OG SER A 3 -28.009 0.495 -53.865 1.00 0.00 O ATOM 0 H SER A 3 -30.049 -2.770 -52.500 1.00 0.00 H new ATOM 0 HA SER A 3 -28.269 -1.863 -54.689 1.00 0.00 H new ATOM 0 HB2 SER A 3 -29.882 -0.204 -53.377 1.00 0.00 H new ATOM 0 HB3 SER A 3 -28.679 -0.345 -52.110 1.00 0.00 H new ATOM 0 HG SER A 3 -28.222 1.403 -53.564 1.00 0.00 H new ATOM 30 N GLY A 4 -27.181 -3.738 -52.883 1.00 0.00 N ATOM 31 CA GLY A 4 -26.089 -4.370 -52.166 1.00 0.00 C ATOM 32 C GLY A 4 -26.358 -4.480 -50.679 1.00 0.00 C ATOM 33 O GLY A 4 -27.479 -4.251 -50.225 1.00 0.00 O ATOM 0 H GLY A 4 -27.781 -4.379 -53.402 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -25.918 -5.365 -52.576 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -25.175 -3.798 -52.325 1.00 0.00 H new ATOM 37 N SER A 5 -25.328 -4.834 -49.917 1.00 0.00 N ATOM 38 CA SER A 5 -25.460 -4.980 -48.472 1.00 0.00 C ATOM 39 C SER A 5 -24.103 -4.853 -47.787 1.00 0.00 C ATOM 40 O SER A 5 -23.063 -5.115 -48.391 1.00 0.00 O ATOM 41 CB SER A 5 -26.093 -6.330 -48.131 1.00 0.00 C ATOM 42 OG SER A 5 -27.428 -6.401 -48.600 1.00 0.00 O ATOM 0 H SER A 5 -24.393 -5.025 -50.276 1.00 0.00 H new ATOM 0 HA SER A 5 -26.107 -4.182 -48.108 1.00 0.00 H new ATOM 0 HB2 SER A 5 -25.505 -7.133 -48.575 1.00 0.00 H new ATOM 0 HB3 SER A 5 -26.075 -6.481 -47.052 1.00 0.00 H new ATOM 0 HG SER A 5 -27.706 -5.521 -48.931 1.00 0.00 H new ATOM 48 N SER A 6 -24.122 -4.450 -46.521 1.00 0.00 N ATOM 49 CA SER A 6 -22.893 -4.284 -45.753 1.00 0.00 C ATOM 50 C SER A 6 -22.477 -5.600 -45.103 1.00 0.00 C ATOM 51 O SER A 6 -23.225 -6.576 -45.118 1.00 0.00 O ATOM 52 CB SER A 6 -23.078 -3.209 -44.680 1.00 0.00 C ATOM 53 OG SER A 6 -23.538 -1.995 -45.249 1.00 0.00 O ATOM 0 H SER A 6 -24.974 -4.232 -46.005 1.00 0.00 H new ATOM 0 HA SER A 6 -22.105 -3.972 -46.438 1.00 0.00 H new ATOM 0 HB2 SER A 6 -23.790 -3.556 -43.932 1.00 0.00 H new ATOM 0 HB3 SER A 6 -22.133 -3.038 -44.165 1.00 0.00 H new ATOM 0 HG SER A 6 -23.650 -1.325 -44.543 1.00 0.00 H new ATOM 59 N GLY A 7 -21.276 -5.618 -44.532 1.00 0.00 N ATOM 60 CA GLY A 7 -20.780 -6.818 -43.885 1.00 0.00 C ATOM 61 C GLY A 7 -19.334 -7.109 -44.234 1.00 0.00 C ATOM 62 O GLY A 7 -19.042 -7.653 -45.300 1.00 0.00 O ATOM 0 H GLY A 7 -20.638 -4.823 -44.506 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -20.875 -6.710 -42.805 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -21.399 -7.667 -44.177 1.00 0.00 H new ATOM 66 N LEU A 8 -18.426 -6.746 -43.335 1.00 0.00 N ATOM 67 CA LEU A 8 -17.001 -6.970 -43.554 1.00 0.00 C ATOM 68 C LEU A 8 -16.371 -7.677 -42.358 1.00 0.00 C ATOM 69 O LEU A 8 -15.876 -8.798 -42.475 1.00 0.00 O ATOM 70 CB LEU A 8 -16.288 -5.641 -43.809 1.00 0.00 C ATOM 71 CG LEU A 8 -16.580 -4.969 -45.151 1.00 0.00 C ATOM 72 CD1 LEU A 8 -16.278 -3.480 -45.080 1.00 0.00 C ATOM 73 CD2 LEU A 8 -15.775 -5.626 -46.263 1.00 0.00 C ATOM 0 H LEU A 8 -18.651 -6.296 -42.448 1.00 0.00 H new ATOM 0 HA LEU A 8 -16.890 -7.608 -44.430 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -16.558 -4.948 -43.012 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -15.213 -5.808 -43.735 1.00 0.00 H new ATOM 0 HG LEU A 8 -17.640 -5.093 -45.374 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -16.492 -3.019 -46.044 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -16.899 -3.019 -44.312 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -15.227 -3.333 -44.833 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -15.996 -5.135 -47.211 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -14.711 -5.534 -46.045 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -16.041 -6.681 -46.330 1.00 0.00 H new ATOM 85 N LYS A 9 -16.394 -7.015 -41.207 1.00 0.00 N ATOM 86 CA LYS A 9 -15.829 -7.580 -39.987 1.00 0.00 C ATOM 87 C LYS A 9 -16.931 -7.978 -39.010 1.00 0.00 C ATOM 88 O LYS A 9 -18.091 -7.602 -39.182 1.00 0.00 O ATOM 89 CB LYS A 9 -14.885 -6.574 -39.325 1.00 0.00 C ATOM 90 CG LYS A 9 -13.719 -6.162 -40.207 1.00 0.00 C ATOM 91 CD LYS A 9 -12.707 -5.327 -39.439 1.00 0.00 C ATOM 92 CE LYS A 9 -11.832 -4.510 -40.378 1.00 0.00 C ATOM 93 NZ LYS A 9 -12.419 -3.170 -40.657 1.00 0.00 N ATOM 0 H LYS A 9 -16.798 -6.085 -41.093 1.00 0.00 H new ATOM 0 HA LYS A 9 -15.267 -8.474 -40.257 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -15.452 -5.685 -39.048 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -14.497 -7.005 -38.402 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -13.231 -7.051 -40.605 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -14.090 -5.593 -41.060 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -13.229 -4.660 -38.754 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -12.080 -5.980 -38.832 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -10.842 -4.389 -39.938 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -11.700 -5.051 -41.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -11.794 -2.644 -41.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -13.353 -3.285 -41.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -12.521 -2.643 -39.766 1.00 0.00 H new ATOM 107 N ARG A 10 -16.560 -8.739 -37.986 1.00 0.00 N ATOM 108 CA ARG A 10 -17.518 -9.187 -36.982 1.00 0.00 C ATOM 109 C ARG A 10 -17.133 -8.676 -35.596 1.00 0.00 C ATOM 110 O ARG A 10 -16.447 -9.363 -34.839 1.00 0.00 O ATOM 111 CB ARG A 10 -17.598 -10.715 -36.969 1.00 0.00 C ATOM 112 CG ARG A 10 -16.239 -11.396 -36.974 1.00 0.00 C ATOM 113 CD ARG A 10 -16.363 -12.888 -36.709 1.00 0.00 C ATOM 114 NE ARG A 10 -15.058 -13.535 -36.602 1.00 0.00 N ATOM 115 CZ ARG A 10 -14.365 -13.608 -35.471 1.00 0.00 C ATOM 116 NH1 ARG A 10 -14.848 -13.077 -34.357 1.00 0.00 N ATOM 117 NH2 ARG A 10 -13.184 -14.214 -35.454 1.00 0.00 N ATOM 0 H ARG A 10 -15.604 -9.058 -37.830 1.00 0.00 H new ATOM 0 HA ARG A 10 -18.495 -8.780 -37.242 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -18.152 -11.034 -36.086 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -18.165 -11.048 -37.838 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -15.754 -11.235 -37.937 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -15.601 -10.942 -36.216 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -16.923 -13.047 -35.788 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -16.933 -13.353 -37.513 1.00 0.00 H new ATOM 0 HE ARG A 10 -14.657 -13.954 -37.441 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -15.755 -12.610 -34.366 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -14.313 -13.135 -33.491 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -12.809 -14.624 -36.309 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -12.652 -14.270 -34.586 1.00 0.00 H new ATOM 131 N ASP A 11 -17.578 -7.467 -35.273 1.00 0.00 N ATOM 132 CA ASP A 11 -17.280 -6.864 -33.979 1.00 0.00 C ATOM 133 C ASP A 11 -18.454 -7.032 -33.019 1.00 0.00 C ATOM 134 O ASP A 11 -19.448 -6.311 -33.105 1.00 0.00 O ATOM 135 CB ASP A 11 -16.952 -5.379 -34.148 1.00 0.00 C ATOM 136 CG ASP A 11 -15.807 -5.146 -35.114 1.00 0.00 C ATOM 137 OD1 ASP A 11 -16.071 -5.022 -36.328 1.00 0.00 O ATOM 138 OD2 ASP A 11 -14.646 -5.089 -34.656 1.00 0.00 O ATOM 0 H ASP A 11 -18.146 -6.885 -35.889 1.00 0.00 H new ATOM 0 HA ASP A 11 -16.413 -7.374 -33.558 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -17.837 -4.853 -34.505 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -16.697 -4.953 -33.177 1.00 0.00 H new ATOM 143 N PHE A 12 -18.331 -7.988 -32.104 1.00 0.00 N ATOM 144 CA PHE A 12 -19.382 -8.253 -31.129 1.00 0.00 C ATOM 145 C PHE A 12 -18.799 -8.838 -29.846 1.00 0.00 C ATOM 146 O PHE A 12 -17.632 -9.230 -29.805 1.00 0.00 O ATOM 147 CB PHE A 12 -20.421 -9.211 -31.714 1.00 0.00 C ATOM 148 CG PHE A 12 -21.638 -8.518 -32.256 1.00 0.00 C ATOM 149 CD1 PHE A 12 -21.597 -7.877 -33.483 1.00 0.00 C ATOM 150 CD2 PHE A 12 -22.823 -8.509 -31.539 1.00 0.00 C ATOM 151 CE1 PHE A 12 -22.716 -7.237 -33.984 1.00 0.00 C ATOM 152 CE2 PHE A 12 -23.945 -7.871 -32.034 1.00 0.00 C ATOM 153 CZ PHE A 12 -23.891 -7.236 -33.259 1.00 0.00 C ATOM 0 H PHE A 12 -17.514 -8.592 -32.018 1.00 0.00 H new ATOM 0 HA PHE A 12 -19.866 -7.307 -30.889 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -19.959 -9.793 -32.512 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -20.728 -9.916 -30.942 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -20.681 -7.877 -34.055 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -22.871 -9.006 -30.582 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -22.671 -6.739 -34.941 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -24.862 -7.869 -31.464 1.00 0.00 H new ATOM 0 HZ PHE A 12 -24.767 -6.739 -33.650 1.00 0.00 H new ATOM 163 N ILE A 13 -19.619 -8.893 -28.802 1.00 0.00 N ATOM 164 CA ILE A 13 -19.185 -9.431 -27.518 1.00 0.00 C ATOM 165 C ILE A 13 -20.346 -9.507 -26.533 1.00 0.00 C ATOM 166 O ILE A 13 -20.944 -8.489 -26.183 1.00 0.00 O ATOM 167 CB ILE A 13 -18.060 -8.578 -26.902 1.00 0.00 C ATOM 168 CG1 ILE A 13 -17.778 -9.027 -25.467 1.00 0.00 C ATOM 169 CG2 ILE A 13 -18.432 -7.104 -26.939 1.00 0.00 C ATOM 170 CD1 ILE A 13 -17.085 -10.369 -25.378 1.00 0.00 C ATOM 0 H ILE A 13 -20.587 -8.572 -28.820 1.00 0.00 H new ATOM 0 HA ILE A 13 -18.807 -10.435 -27.708 1.00 0.00 H new ATOM 0 HB ILE A 13 -17.154 -8.718 -27.491 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -17.161 -8.275 -24.974 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -18.719 -9.076 -24.919 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -17.627 -6.514 -26.500 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -18.587 -6.794 -27.972 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -19.349 -6.946 -26.371 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -16.917 -10.623 -24.331 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -17.710 -11.133 -25.841 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -16.128 -10.319 -25.897 1.00 0.00 H new ATOM 182 N ILE A 14 -20.659 -10.720 -26.089 1.00 0.00 N ATOM 183 CA ILE A 14 -21.748 -10.928 -25.142 1.00 0.00 C ATOM 184 C ILE A 14 -21.369 -11.965 -24.090 1.00 0.00 C ATOM 185 O ILE A 14 -20.438 -12.748 -24.281 1.00 0.00 O ATOM 186 CB ILE A 14 -23.035 -11.384 -25.855 1.00 0.00 C ATOM 187 CG1 ILE A 14 -23.261 -10.558 -27.123 1.00 0.00 C ATOM 188 CG2 ILE A 14 -24.228 -11.265 -24.919 1.00 0.00 C ATOM 189 CD1 ILE A 14 -24.148 -11.242 -28.140 1.00 0.00 C ATOM 0 H ILE A 14 -20.175 -11.573 -26.369 1.00 0.00 H new ATOM 0 HA ILE A 14 -21.932 -9.970 -24.656 1.00 0.00 H new ATOM 0 HB ILE A 14 -22.925 -12.430 -26.141 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -23.707 -9.602 -26.849 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -22.297 -10.341 -27.582 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -25.130 -11.591 -25.436 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -24.066 -11.892 -24.042 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -24.343 -10.227 -24.607 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -24.264 -10.599 -29.012 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -23.694 -12.186 -28.443 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -25.126 -11.435 -27.699 1.00 0.00 H new ATOM 201 N LEU A 15 -22.098 -11.965 -22.979 1.00 0.00 N ATOM 202 CA LEU A 15 -21.840 -12.908 -21.895 1.00 0.00 C ATOM 203 C LEU A 15 -20.463 -12.671 -21.284 1.00 0.00 C ATOM 204 O LEU A 15 -19.696 -13.610 -21.074 1.00 0.00 O ATOM 205 CB LEU A 15 -21.944 -14.345 -22.408 1.00 0.00 C ATOM 206 CG LEU A 15 -23.300 -15.027 -22.225 1.00 0.00 C ATOM 207 CD1 LEU A 15 -24.288 -14.538 -23.273 1.00 0.00 C ATOM 208 CD2 LEU A 15 -23.151 -16.539 -22.294 1.00 0.00 C ATOM 0 H LEU A 15 -22.872 -11.323 -22.805 1.00 0.00 H new ATOM 0 HA LEU A 15 -22.592 -12.750 -21.122 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -21.698 -14.349 -23.470 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -21.187 -14.945 -21.903 1.00 0.00 H new ATOM 0 HG LEU A 15 -23.687 -14.766 -21.240 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -25.248 -15.034 -23.128 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -24.418 -13.460 -23.176 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -23.907 -14.769 -24.268 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -24.126 -17.007 -22.162 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -22.742 -16.820 -23.264 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -22.478 -16.875 -21.505 1.00 0.00 H new ATOM 220 N GLY A 16 -20.156 -11.409 -20.999 1.00 0.00 N ATOM 221 CA GLY A 16 -18.872 -11.072 -20.412 1.00 0.00 C ATOM 222 C GLY A 16 -19.004 -10.142 -19.223 1.00 0.00 C ATOM 223 O GLY A 16 -18.218 -9.209 -19.066 1.00 0.00 O ATOM 0 H GLY A 16 -20.773 -10.614 -21.164 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -18.368 -11.986 -20.100 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -18.242 -10.603 -21.168 1.00 0.00 H new ATOM 227 N ASN A 17 -20.003 -10.397 -18.383 1.00 0.00 N ATOM 228 CA ASN A 17 -20.236 -9.573 -17.202 1.00 0.00 C ATOM 229 C ASN A 17 -21.118 -10.305 -16.195 1.00 0.00 C ATOM 230 O ASN A 17 -21.617 -11.396 -16.467 1.00 0.00 O ATOM 231 CB ASN A 17 -20.889 -8.248 -17.600 1.00 0.00 C ATOM 232 CG ASN A 17 -19.926 -7.323 -18.321 1.00 0.00 C ATOM 233 OD1 ASN A 17 -19.786 -7.386 -19.543 1.00 0.00 O ATOM 234 ND2 ASN A 17 -19.258 -6.460 -17.566 1.00 0.00 N ATOM 0 H ASN A 17 -20.663 -11.166 -18.498 1.00 0.00 H new ATOM 0 HA ASN A 17 -19.272 -9.369 -16.735 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -21.747 -8.447 -18.242 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -21.268 -7.750 -16.707 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -18.596 -5.813 -17.995 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -19.406 -6.444 -16.557 1.00 0.00 H new ATOM 241 N GLY A 18 -21.307 -9.695 -15.028 1.00 0.00 N ATOM 242 CA GLY A 18 -22.129 -10.302 -13.998 1.00 0.00 C ATOM 243 C GLY A 18 -21.328 -10.688 -12.770 1.00 0.00 C ATOM 244 O GLY A 18 -20.722 -11.758 -12.710 1.00 0.00 O ATOM 0 H GLY A 18 -20.905 -8.791 -14.778 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -22.918 -9.607 -13.710 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -22.618 -11.188 -14.403 1.00 0.00 H new ATOM 248 N PRO A 19 -21.318 -9.803 -11.763 1.00 0.00 N ATOM 249 CA PRO A 19 -20.588 -10.035 -10.513 1.00 0.00 C ATOM 250 C PRO A 19 -21.220 -11.136 -9.668 1.00 0.00 C ATOM 251 O PRO A 19 -22.027 -10.864 -8.779 1.00 0.00 O ATOM 252 CB PRO A 19 -20.683 -8.688 -9.792 1.00 0.00 C ATOM 253 CG PRO A 19 -21.915 -8.052 -10.337 1.00 0.00 C ATOM 254 CD PRO A 19 -22.018 -8.507 -11.766 1.00 0.00 C ATOM 0 HA PRO A 19 -19.566 -10.367 -10.694 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -20.751 -8.821 -8.712 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -19.803 -8.074 -9.983 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -22.794 -8.353 -9.767 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -21.853 -6.965 -10.277 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -23.056 -8.612 -12.080 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -21.548 -7.798 -12.448 1.00 0.00 H new ATOM 262 N ARG A 20 -20.849 -12.380 -9.952 1.00 0.00 N ATOM 263 CA ARG A 20 -21.380 -13.522 -9.219 1.00 0.00 C ATOM 264 C ARG A 20 -20.936 -13.487 -7.760 1.00 0.00 C ATOM 265 O ARG A 20 -21.742 -13.681 -6.849 1.00 0.00 O ATOM 266 CB ARG A 20 -20.925 -14.830 -9.870 1.00 0.00 C ATOM 267 CG ARG A 20 -21.877 -15.342 -10.939 1.00 0.00 C ATOM 268 CD ARG A 20 -21.565 -14.738 -12.299 1.00 0.00 C ATOM 269 NE ARG A 20 -22.424 -15.279 -13.348 1.00 0.00 N ATOM 270 CZ ARG A 20 -23.621 -14.786 -13.645 1.00 0.00 C ATOM 271 NH1 ARG A 20 -24.098 -13.746 -12.975 1.00 0.00 N ATOM 272 NH2 ARG A 20 -24.344 -15.334 -14.614 1.00 0.00 N ATOM 0 H ARG A 20 -20.182 -12.622 -10.685 1.00 0.00 H new ATOM 0 HA ARG A 20 -22.468 -13.467 -9.251 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -19.940 -14.682 -10.313 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -20.816 -15.592 -9.098 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -21.809 -16.428 -10.998 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -22.903 -15.101 -10.660 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -21.688 -13.656 -12.252 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -20.522 -14.930 -12.550 1.00 0.00 H new ATOM 0 HE ARG A 20 -22.086 -16.080 -13.882 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -23.545 -13.323 -12.230 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -25.018 -13.369 -13.205 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -23.980 -16.134 -15.131 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -25.263 -14.955 -14.841 1.00 0.00 H new ATOM 286 N LEU A 21 -19.649 -13.237 -7.545 1.00 0.00 N ATOM 287 CA LEU A 21 -19.096 -13.176 -6.197 1.00 0.00 C ATOM 288 C LEU A 21 -17.634 -12.741 -6.227 1.00 0.00 C ATOM 289 O LEU A 21 -16.861 -13.187 -7.074 1.00 0.00 O ATOM 290 CB LEU A 21 -19.220 -14.538 -5.511 1.00 0.00 C ATOM 291 CG LEU A 21 -18.210 -15.601 -5.942 1.00 0.00 C ATOM 292 CD1 LEU A 21 -18.024 -16.638 -4.845 1.00 0.00 C ATOM 293 CD2 LEU A 21 -18.655 -16.266 -7.237 1.00 0.00 C ATOM 0 H LEU A 21 -18.969 -13.073 -8.287 1.00 0.00 H new ATOM 0 HA LEU A 21 -19.664 -12.438 -5.631 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -19.125 -14.390 -4.435 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -20.223 -14.924 -5.693 1.00 0.00 H new ATOM 0 HG LEU A 21 -17.251 -15.113 -6.118 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -17.301 -17.386 -5.170 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -17.659 -16.150 -3.941 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -18.978 -17.122 -4.636 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -17.924 -17.020 -7.529 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -19.625 -16.740 -7.088 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -18.735 -15.515 -8.023 1.00 0.00 H new ATOM 305 N GLN A 22 -17.262 -11.869 -5.295 1.00 0.00 N ATOM 306 CA GLN A 22 -15.893 -11.375 -5.214 1.00 0.00 C ATOM 307 C GLN A 22 -15.489 -11.125 -3.765 1.00 0.00 C ATOM 308 O GLN A 22 -16.055 -10.266 -3.092 1.00 0.00 O ATOM 309 CB GLN A 22 -15.744 -10.088 -6.027 1.00 0.00 C ATOM 310 CG GLN A 22 -15.900 -10.292 -7.525 1.00 0.00 C ATOM 311 CD GLN A 22 -17.326 -10.089 -7.997 1.00 0.00 C ATOM 312 OE1 GLN A 22 -18.273 -10.560 -7.367 1.00 0.00 O ATOM 313 NE2 GLN A 22 -17.486 -9.384 -9.111 1.00 0.00 N ATOM 0 H GLN A 22 -17.890 -11.490 -4.586 1.00 0.00 H new ATOM 0 HA GLN A 22 -15.233 -12.137 -5.629 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -16.487 -9.366 -5.688 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -14.764 -9.654 -5.828 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -15.245 -9.599 -8.052 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -15.575 -11.299 -7.786 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -16.672 -9.012 -9.601 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -18.423 -9.214 -9.477 1.00 0.00 H new ATOM 322 N ASN A 23 -14.505 -11.884 -3.291 1.00 0.00 N ATOM 323 CA ASN A 23 -14.026 -11.745 -1.921 1.00 0.00 C ATOM 324 C ASN A 23 -13.348 -10.394 -1.715 1.00 0.00 C ATOM 325 O ASN A 23 -12.619 -9.915 -2.584 1.00 0.00 O ATOM 326 CB ASN A 23 -13.049 -12.874 -1.583 1.00 0.00 C ATOM 327 CG ASN A 23 -11.925 -12.987 -2.595 1.00 0.00 C ATOM 328 OD1 ASN A 23 -12.052 -13.678 -3.606 1.00 0.00 O ATOM 329 ND2 ASN A 23 -10.816 -12.308 -2.325 1.00 0.00 N ATOM 0 H ASN A 23 -14.025 -12.601 -3.835 1.00 0.00 H new ATOM 0 HA ASN A 23 -14.887 -11.805 -1.255 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -12.627 -12.702 -0.593 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -13.591 -13.819 -1.539 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -10.025 -12.347 -2.968 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -10.755 -11.748 -1.475 1.00 0.00 H new ATOM 336 N SER A 24 -13.595 -9.784 -0.560 1.00 0.00 N ATOM 337 CA SER A 24 -13.012 -8.486 -0.242 1.00 0.00 C ATOM 338 C SER A 24 -11.516 -8.615 0.033 1.00 0.00 C ATOM 339 O SER A 24 -11.071 -9.563 0.682 1.00 0.00 O ATOM 340 CB SER A 24 -13.714 -7.872 0.971 1.00 0.00 C ATOM 341 OG SER A 24 -13.273 -8.475 2.175 1.00 0.00 O ATOM 0 H SER A 24 -14.195 -10.168 0.171 1.00 0.00 H new ATOM 0 HA SER A 24 -13.150 -7.832 -1.103 1.00 0.00 H new ATOM 0 HB2 SER A 24 -13.518 -6.800 1.004 1.00 0.00 H new ATOM 0 HB3 SER A 24 -14.792 -7.996 0.872 1.00 0.00 H new ATOM 0 HG SER A 24 -13.735 -8.064 2.935 1.00 0.00 H new ATOM 347 N THR A 25 -10.744 -7.654 -0.465 1.00 0.00 N ATOM 348 CA THR A 25 -9.299 -7.659 -0.275 1.00 0.00 C ATOM 349 C THR A 25 -8.864 -6.537 0.661 1.00 0.00 C ATOM 350 O THR A 25 -9.401 -5.431 0.611 1.00 0.00 O ATOM 351 CB THR A 25 -8.556 -7.511 -1.616 1.00 0.00 C ATOM 352 OG1 THR A 25 -9.103 -6.418 -2.362 1.00 0.00 O ATOM 353 CG2 THR A 25 -8.656 -8.790 -2.433 1.00 0.00 C ATOM 0 H THR A 25 -11.096 -6.862 -1.003 1.00 0.00 H new ATOM 0 HA THR A 25 -9.042 -8.620 0.170 1.00 0.00 H new ATOM 0 HB THR A 25 -7.505 -7.315 -1.404 1.00 0.00 H new ATOM 0 HG1 THR A 25 -8.624 -6.330 -3.212 1.00 0.00 H new ATOM 0 HG21 THR A 25 -8.124 -8.662 -3.376 1.00 0.00 H new ATOM 0 HG22 THR A 25 -8.212 -9.614 -1.875 1.00 0.00 H new ATOM 0 HG23 THR A 25 -9.704 -9.012 -2.635 1.00 0.00 H new ATOM 361 N TYR A 26 -7.887 -6.829 1.513 1.00 0.00 N ATOM 362 CA TYR A 26 -7.381 -5.845 2.461 1.00 0.00 C ATOM 363 C TYR A 26 -6.158 -5.126 1.900 1.00 0.00 C ATOM 364 O TYR A 26 -5.107 -5.733 1.697 1.00 0.00 O ATOM 365 CB TYR A 26 -7.025 -6.520 3.787 1.00 0.00 C ATOM 366 CG TYR A 26 -8.216 -6.743 4.691 1.00 0.00 C ATOM 367 CD1 TYR A 26 -9.422 -7.209 4.182 1.00 0.00 C ATOM 368 CD2 TYR A 26 -8.136 -6.489 6.055 1.00 0.00 C ATOM 369 CE1 TYR A 26 -10.513 -7.414 5.004 1.00 0.00 C ATOM 370 CE2 TYR A 26 -9.221 -6.693 6.885 1.00 0.00 C ATOM 371 CZ TYR A 26 -10.408 -7.155 6.354 1.00 0.00 C ATOM 372 OH TYR A 26 -11.492 -7.358 7.177 1.00 0.00 O ATOM 0 H TYR A 26 -7.430 -7.739 1.566 1.00 0.00 H new ATOM 0 HA TYR A 26 -8.165 -5.108 2.634 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -6.551 -7.480 3.581 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -6.291 -5.908 4.311 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -9.508 -7.415 3.125 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -7.209 -6.126 6.473 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -11.443 -7.775 4.591 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -9.141 -6.492 7.943 1.00 0.00 H new ATOM 0 HH TYR A 26 -11.250 -7.129 8.099 1.00 0.00 H new ATOM 382 N GLN A 27 -6.305 -3.829 1.651 1.00 0.00 N ATOM 383 CA GLN A 27 -5.213 -3.026 1.113 1.00 0.00 C ATOM 384 C GLN A 27 -4.237 -2.626 2.214 1.00 0.00 C ATOM 385 O GLN A 27 -4.481 -1.678 2.960 1.00 0.00 O ATOM 386 CB GLN A 27 -5.763 -1.776 0.423 1.00 0.00 C ATOM 387 CG GLN A 27 -6.028 -1.967 -1.061 1.00 0.00 C ATOM 388 CD GLN A 27 -4.857 -1.541 -1.923 1.00 0.00 C ATOM 389 OE1 GLN A 27 -4.995 -0.690 -2.803 1.00 0.00 O ATOM 390 NE2 GLN A 27 -3.693 -2.132 -1.675 1.00 0.00 N ATOM 0 H GLN A 27 -7.169 -3.312 1.813 1.00 0.00 H new ATOM 0 HA GLN A 27 -4.678 -3.631 0.381 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -6.690 -1.478 0.914 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -5.055 -0.957 0.555 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -6.253 -3.016 -1.254 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -6.911 -1.394 -1.345 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -3.624 -2.832 -0.936 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -2.869 -1.886 -2.223 1.00 0.00 H new ATOM 399 N CYS A 28 -3.131 -3.356 2.311 1.00 0.00 N ATOM 400 CA CYS A 28 -2.117 -3.079 3.322 1.00 0.00 C ATOM 401 C CYS A 28 -1.484 -1.709 3.095 1.00 0.00 C ATOM 402 O CYS A 28 -0.930 -1.437 2.030 1.00 0.00 O ATOM 403 CB CYS A 28 -1.037 -4.162 3.301 1.00 0.00 C ATOM 404 SG CYS A 28 0.038 -4.168 4.772 1.00 0.00 S ATOM 0 H CYS A 28 -2.914 -4.144 1.701 1.00 0.00 H new ATOM 0 HA CYS A 28 -2.602 -3.079 4.298 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -1.517 -5.137 3.211 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -0.419 -4.027 2.413 1.00 0.00 H new ATOM 409 N LYS A 29 -1.569 -0.850 4.106 1.00 0.00 N ATOM 410 CA LYS A 29 -1.004 0.491 4.020 1.00 0.00 C ATOM 411 C LYS A 29 0.484 0.477 4.354 1.00 0.00 C ATOM 412 O LYS A 29 1.056 1.501 4.731 1.00 0.00 O ATOM 413 CB LYS A 29 -1.742 1.439 4.968 1.00 0.00 C ATOM 414 CG LYS A 29 -1.354 1.265 6.426 1.00 0.00 C ATOM 415 CD LYS A 29 -1.975 0.012 7.022 1.00 0.00 C ATOM 416 CE LYS A 29 -2.094 0.115 8.534 1.00 0.00 C ATOM 417 NZ LYS A 29 -2.929 1.276 8.947 1.00 0.00 N ATOM 0 H LYS A 29 -2.024 -1.059 4.995 1.00 0.00 H new ATOM 0 HA LYS A 29 -1.125 0.844 2.996 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -1.542 2.468 4.668 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -2.815 1.280 4.865 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -0.269 1.210 6.511 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -1.674 2.137 6.995 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -2.962 -0.148 6.588 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -1.368 -0.855 6.762 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -2.529 -0.804 8.927 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -1.100 0.209 8.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -3.658 0.958 9.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -2.328 1.991 9.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -3.385 1.691 8.110 1.00 0.00 H new ATOM 431 N HIS A 30 1.107 -0.689 4.214 1.00 0.00 N ATOM 432 CA HIS A 30 2.530 -0.835 4.499 1.00 0.00 C ATOM 433 C HIS A 30 3.295 -1.253 3.247 1.00 0.00 C ATOM 434 O HIS A 30 4.413 -0.795 3.009 1.00 0.00 O ATOM 435 CB HIS A 30 2.745 -1.864 5.610 1.00 0.00 C ATOM 436 CG HIS A 30 2.587 -1.299 6.988 1.00 0.00 C ATOM 437 ND1 HIS A 30 1.449 -0.645 7.407 1.00 0.00 N ATOM 438 CD2 HIS A 30 3.432 -1.296 8.046 1.00 0.00 C ATOM 439 CE1 HIS A 30 1.601 -0.261 8.662 1.00 0.00 C ATOM 440 NE2 HIS A 30 2.796 -0.645 9.073 1.00 0.00 N ATOM 0 H HIS A 30 0.649 -1.546 3.905 1.00 0.00 H new ATOM 0 HA HIS A 30 2.911 0.131 4.830 1.00 0.00 H new ATOM 0 HB2 HIS A 30 2.037 -2.682 5.478 1.00 0.00 H new ATOM 0 HB3 HIS A 30 3.744 -2.288 5.513 1.00 0.00 H new ATOM 0 HD2 HIS A 30 4.422 -1.726 8.076 1.00 0.00 H new ATOM 0 HE1 HIS A 30 0.872 0.276 9.251 1.00 0.00 H new ATOM 0 HE2 HIS A 30 3.183 -0.484 10.003 1.00 0.00 H new ATOM 448 N CYS A 31 2.686 -2.126 2.451 1.00 0.00 N ATOM 449 CA CYS A 31 3.310 -2.606 1.224 1.00 0.00 C ATOM 450 C CYS A 31 2.331 -2.542 0.055 1.00 0.00 C ATOM 451 O CYS A 31 2.676 -2.884 -1.076 1.00 0.00 O ATOM 452 CB CYS A 31 3.807 -4.041 1.409 1.00 0.00 C ATOM 453 SG CYS A 31 2.492 -5.240 1.798 1.00 0.00 S ATOM 0 H CYS A 31 1.761 -2.515 2.634 1.00 0.00 H new ATOM 0 HA CYS A 31 4.159 -1.960 1.000 1.00 0.00 H new ATOM 0 HB2 CYS A 31 4.315 -4.358 0.498 1.00 0.00 H new ATOM 0 HB3 CYS A 31 4.547 -4.057 2.209 1.00 0.00 H new ATOM 458 N ASP A 32 1.110 -2.102 0.337 1.00 0.00 N ATOM 459 CA ASP A 32 0.081 -1.991 -0.691 1.00 0.00 C ATOM 460 C ASP A 32 -0.275 -3.364 -1.253 1.00 0.00 C ATOM 461 O ASP A 32 -0.498 -3.515 -2.455 1.00 0.00 O ATOM 462 CB ASP A 32 0.552 -1.071 -1.817 1.00 0.00 C ATOM 463 CG ASP A 32 0.159 0.375 -1.586 1.00 0.00 C ATOM 464 OD1 ASP A 32 0.570 0.943 -0.553 1.00 0.00 O ATOM 465 OD2 ASP A 32 -0.559 0.939 -2.438 1.00 0.00 O ATOM 0 H ASP A 32 0.808 -1.816 1.269 1.00 0.00 H new ATOM 0 HA ASP A 32 -0.811 -1.563 -0.233 1.00 0.00 H new ATOM 0 HB2 ASP A 32 1.636 -1.140 -1.909 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.130 -1.413 -2.762 1.00 0.00 H new ATOM 470 N SER A 33 -0.325 -4.362 -0.377 1.00 0.00 N ATOM 471 CA SER A 33 -0.649 -5.724 -0.788 1.00 0.00 C ATOM 472 C SER A 33 -2.149 -5.982 -0.680 1.00 0.00 C ATOM 473 O SER A 33 -2.927 -5.075 -0.384 1.00 0.00 O ATOM 474 CB SER A 33 0.117 -6.733 0.070 1.00 0.00 C ATOM 475 OG SER A 33 1.396 -7.001 -0.477 1.00 0.00 O ATOM 0 H SER A 33 -0.146 -4.254 0.621 1.00 0.00 H new ATOM 0 HA SER A 33 -0.352 -5.844 -1.830 1.00 0.00 H new ATOM 0 HB2 SER A 33 0.225 -6.345 1.083 1.00 0.00 H new ATOM 0 HB3 SER A 33 -0.452 -7.660 0.142 1.00 0.00 H new ATOM 0 HG SER A 33 2.083 -6.557 0.064 1.00 0.00 H new ATOM 481 N LYS A 34 -2.548 -7.226 -0.922 1.00 0.00 N ATOM 482 CA LYS A 34 -3.953 -7.606 -0.851 1.00 0.00 C ATOM 483 C LYS A 34 -4.124 -8.920 -0.095 1.00 0.00 C ATOM 484 O LYS A 34 -3.509 -9.930 -0.438 1.00 0.00 O ATOM 485 CB LYS A 34 -4.539 -7.736 -2.259 1.00 0.00 C ATOM 486 CG LYS A 34 -4.872 -6.402 -2.905 1.00 0.00 C ATOM 487 CD LYS A 34 -5.853 -6.568 -4.054 1.00 0.00 C ATOM 488 CE LYS A 34 -5.148 -7.005 -5.329 1.00 0.00 C ATOM 489 NZ LYS A 34 -4.353 -5.899 -5.930 1.00 0.00 N ATOM 0 H LYS A 34 -1.917 -7.988 -1.169 1.00 0.00 H new ATOM 0 HA LYS A 34 -4.488 -6.824 -0.312 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -3.829 -8.269 -2.891 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -5.443 -8.343 -2.213 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -5.295 -5.731 -2.158 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -3.957 -5.935 -3.271 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -6.610 -7.305 -3.784 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -6.373 -5.626 -4.229 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -4.491 -7.847 -5.111 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -5.886 -7.355 -6.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -4.114 -6.138 -6.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -4.911 -5.021 -5.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -3.478 -5.764 -5.384 1.00 0.00 H new ATOM 503 N LEU A 35 -4.964 -8.900 0.934 1.00 0.00 N ATOM 504 CA LEU A 35 -5.217 -10.090 1.738 1.00 0.00 C ATOM 505 C LEU A 35 -6.710 -10.396 1.803 1.00 0.00 C ATOM 506 O LEU A 35 -7.542 -9.524 1.559 1.00 0.00 O ATOM 507 CB LEU A 35 -4.661 -9.903 3.151 1.00 0.00 C ATOM 508 CG LEU A 35 -3.158 -10.130 3.317 1.00 0.00 C ATOM 509 CD1 LEU A 35 -2.374 -9.211 2.393 1.00 0.00 C ATOM 510 CD2 LEU A 35 -2.742 -9.915 4.765 1.00 0.00 C ATOM 0 H LEU A 35 -5.481 -8.073 1.231 1.00 0.00 H new ATOM 0 HA LEU A 35 -4.713 -10.932 1.264 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -4.894 -8.890 3.480 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -5.187 -10.584 3.820 1.00 0.00 H new ATOM 0 HG LEU A 35 -2.934 -11.162 3.045 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.306 -9.387 2.525 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -2.650 -9.414 1.358 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -2.603 -8.173 2.633 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.669 -10.081 4.864 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -2.980 -8.894 5.064 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -3.278 -10.616 5.405 1.00 0.00 H new ATOM 522 N GLN A 36 -7.040 -11.640 2.136 1.00 0.00 N ATOM 523 CA GLN A 36 -8.433 -12.060 2.235 1.00 0.00 C ATOM 524 C GLN A 36 -9.158 -11.286 3.330 1.00 0.00 C ATOM 525 O GLN A 36 -10.216 -10.702 3.095 1.00 0.00 O ATOM 526 CB GLN A 36 -8.516 -13.562 2.514 1.00 0.00 C ATOM 527 CG GLN A 36 -7.877 -14.418 1.433 1.00 0.00 C ATOM 528 CD GLN A 36 -7.798 -15.882 1.819 1.00 0.00 C ATOM 529 OE1 GLN A 36 -8.818 -16.531 2.050 1.00 0.00 O ATOM 530 NE2 GLN A 36 -6.581 -16.410 1.890 1.00 0.00 N ATOM 0 H GLN A 36 -6.362 -12.374 2.342 1.00 0.00 H new ATOM 0 HA GLN A 36 -8.919 -11.847 1.283 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -8.031 -13.773 3.467 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -9.563 -13.846 2.619 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -8.450 -14.320 0.511 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -6.874 -14.046 1.226 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -5.763 -15.834 1.690 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -6.465 -17.391 2.144 1.00 0.00 H new ATOM 539 N SER A 37 -8.583 -11.286 4.529 1.00 0.00 N ATOM 540 CA SER A 37 -9.177 -10.587 5.662 1.00 0.00 C ATOM 541 C SER A 37 -8.179 -10.464 6.808 1.00 0.00 C ATOM 542 O SER A 37 -7.073 -11.002 6.746 1.00 0.00 O ATOM 543 CB SER A 37 -10.432 -11.321 6.140 1.00 0.00 C ATOM 544 OG SER A 37 -11.329 -10.432 6.782 1.00 0.00 O ATOM 0 H SER A 37 -7.706 -11.763 4.740 1.00 0.00 H new ATOM 0 HA SER A 37 -9.453 -9.585 5.335 1.00 0.00 H new ATOM 0 HB2 SER A 37 -10.927 -11.792 5.291 1.00 0.00 H new ATOM 0 HB3 SER A 37 -10.151 -12.119 6.828 1.00 0.00 H new ATOM 0 HG SER A 37 -11.033 -9.509 6.639 1.00 0.00 H new ATOM 550 N THR A 38 -8.576 -9.750 7.857 1.00 0.00 N ATOM 551 CA THR A 38 -7.717 -9.553 9.018 1.00 0.00 C ATOM 552 C THR A 38 -6.926 -10.817 9.337 1.00 0.00 C ATOM 553 O THR A 38 -5.700 -10.785 9.432 1.00 0.00 O ATOM 554 CB THR A 38 -8.534 -9.146 10.259 1.00 0.00 C ATOM 555 OG1 THR A 38 -9.246 -7.931 10.000 1.00 0.00 O ATOM 556 CG2 THR A 38 -7.628 -8.961 11.467 1.00 0.00 C ATOM 0 H THR A 38 -9.488 -9.298 7.926 1.00 0.00 H new ATOM 0 HA THR A 38 -7.026 -8.748 8.767 1.00 0.00 H new ATOM 0 HB THR A 38 -9.244 -9.944 10.476 1.00 0.00 H new ATOM 0 HG1 THR A 38 -9.764 -7.680 10.793 1.00 0.00 H new ATOM 0 HG21 THR A 38 -8.227 -8.674 12.331 1.00 0.00 H new ATOM 0 HG22 THR A 38 -7.110 -9.896 11.680 1.00 0.00 H new ATOM 0 HG23 THR A 38 -6.897 -8.180 11.257 1.00 0.00 H new ATOM 564 N ALA A 39 -7.636 -11.929 9.500 1.00 0.00 N ATOM 565 CA ALA A 39 -7.000 -13.204 9.805 1.00 0.00 C ATOM 566 C ALA A 39 -5.653 -13.327 9.101 1.00 0.00 C ATOM 567 O ALA A 39 -4.669 -13.764 9.697 1.00 0.00 O ATOM 568 CB ALA A 39 -7.911 -14.357 9.411 1.00 0.00 C ATOM 0 H ALA A 39 -8.652 -11.972 9.426 1.00 0.00 H new ATOM 0 HA ALA A 39 -6.824 -13.246 10.880 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -7.422 -15.303 9.645 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -8.848 -14.286 9.964 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -8.116 -14.309 8.342 1.00 0.00 H new ATOM 574 N GLU A 40 -5.617 -12.941 7.829 1.00 0.00 N ATOM 575 CA GLU A 40 -4.390 -13.011 7.044 1.00 0.00 C ATOM 576 C GLU A 40 -3.478 -11.829 7.355 1.00 0.00 C ATOM 577 O GLU A 40 -2.255 -11.970 7.408 1.00 0.00 O ATOM 578 CB GLU A 40 -4.716 -13.039 5.550 1.00 0.00 C ATOM 579 CG GLU A 40 -5.179 -14.398 5.053 1.00 0.00 C ATOM 580 CD GLU A 40 -4.048 -15.404 4.967 1.00 0.00 C ATOM 581 OE1 GLU A 40 -3.063 -15.254 5.720 1.00 0.00 O ATOM 582 OE2 GLU A 40 -4.147 -16.340 4.147 1.00 0.00 O ATOM 0 H GLU A 40 -6.423 -12.577 7.321 1.00 0.00 H new ATOM 0 HA GLU A 40 -3.869 -13.930 7.312 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.492 -12.302 5.342 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -3.832 -12.738 4.988 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -5.951 -14.781 5.720 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -5.635 -14.285 4.070 1.00 0.00 H new ATOM 589 N LEU A 41 -4.079 -10.662 7.561 1.00 0.00 N ATOM 590 CA LEU A 41 -3.322 -9.454 7.866 1.00 0.00 C ATOM 591 C LEU A 41 -2.530 -9.620 9.160 1.00 0.00 C ATOM 592 O LEU A 41 -1.430 -9.084 9.301 1.00 0.00 O ATOM 593 CB LEU A 41 -4.263 -8.253 7.982 1.00 0.00 C ATOM 594 CG LEU A 41 -3.635 -6.881 7.735 1.00 0.00 C ATOM 595 CD1 LEU A 41 -3.186 -6.752 6.288 1.00 0.00 C ATOM 596 CD2 LEU A 41 -4.615 -5.774 8.093 1.00 0.00 C ATOM 0 H LEU A 41 -5.089 -10.527 7.522 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.620 -9.280 7.051 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -5.081 -8.388 7.275 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.701 -8.255 8.980 1.00 0.00 H new ATOM 0 HG LEU A 41 -2.758 -6.783 8.375 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -2.742 -5.769 6.131 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.449 -7.523 6.066 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -4.046 -6.871 5.628 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.151 -4.805 7.911 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -5.511 -5.869 7.479 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -4.886 -5.855 9.146 1.00 0.00 H new ATOM 608 N THR A 42 -3.096 -10.368 10.102 1.00 0.00 N ATOM 609 CA THR A 42 -2.443 -10.606 11.383 1.00 0.00 C ATOM 610 C THR A 42 -1.118 -11.337 11.198 1.00 0.00 C ATOM 611 O THR A 42 -0.164 -11.109 11.941 1.00 0.00 O ATOM 612 CB THR A 42 -3.341 -11.426 12.327 1.00 0.00 C ATOM 613 OG1 THR A 42 -4.569 -10.728 12.566 1.00 0.00 O ATOM 614 CG2 THR A 42 -2.637 -11.691 13.650 1.00 0.00 C ATOM 0 H THR A 42 -4.005 -10.819 10.002 1.00 0.00 H new ATOM 0 HA THR A 42 -2.256 -9.629 11.829 1.00 0.00 H new ATOM 0 HB THR A 42 -3.554 -12.382 11.849 1.00 0.00 H new ATOM 0 HG1 THR A 42 -5.079 -10.668 11.731 1.00 0.00 H new ATOM 0 HG21 THR A 42 -3.291 -12.272 14.300 1.00 0.00 H new ATOM 0 HG22 THR A 42 -1.718 -12.249 13.468 1.00 0.00 H new ATOM 0 HG23 THR A 42 -2.397 -10.743 14.131 1.00 0.00 H new ATOM 622 N SER A 43 -1.067 -12.215 10.202 1.00 0.00 N ATOM 623 CA SER A 43 0.141 -12.982 9.921 1.00 0.00 C ATOM 624 C SER A 43 1.057 -12.223 8.965 1.00 0.00 C ATOM 625 O SER A 43 2.277 -12.220 9.127 1.00 0.00 O ATOM 626 CB SER A 43 -0.221 -14.344 9.325 1.00 0.00 C ATOM 627 OG SER A 43 0.939 -15.044 8.911 1.00 0.00 O ATOM 0 H SER A 43 -1.848 -12.413 9.576 1.00 0.00 H new ATOM 0 HA SER A 43 0.672 -13.134 10.861 1.00 0.00 H new ATOM 0 HB2 SER A 43 -0.762 -14.935 10.064 1.00 0.00 H new ATOM 0 HB3 SER A 43 -0.889 -14.206 8.475 1.00 0.00 H new ATOM 0 HG SER A 43 0.681 -15.912 8.535 1.00 0.00 H new ATOM 633 N HIS A 44 0.458 -11.581 7.967 1.00 0.00 N ATOM 634 CA HIS A 44 1.218 -10.817 6.984 1.00 0.00 C ATOM 635 C HIS A 44 1.923 -9.635 7.641 1.00 0.00 C ATOM 636 O HIS A 44 3.103 -9.385 7.392 1.00 0.00 O ATOM 637 CB HIS A 44 0.297 -10.322 5.868 1.00 0.00 C ATOM 638 CG HIS A 44 0.931 -9.297 4.979 1.00 0.00 C ATOM 639 ND1 HIS A 44 1.692 -9.625 3.877 1.00 0.00 N ATOM 640 CD2 HIS A 44 0.913 -7.945 5.033 1.00 0.00 C ATOM 641 CE1 HIS A 44 2.116 -8.519 3.292 1.00 0.00 C ATOM 642 NE2 HIS A 44 1.656 -7.485 3.974 1.00 0.00 N ATOM 0 H HIS A 44 -0.551 -11.575 7.818 1.00 0.00 H new ATOM 0 HA HIS A 44 1.974 -11.475 6.555 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -0.016 -11.173 5.262 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -0.604 -9.898 6.312 1.00 0.00 H new ATOM 0 HD1 HIS A 44 1.896 -10.574 3.562 1.00 0.00 H new ATOM 0 HD2 HIS A 44 0.408 -7.340 5.772 1.00 0.00 H new ATOM 0 HE1 HIS A 44 2.733 -8.469 2.407 1.00 0.00 H new ATOM 650 N LEU A 45 1.192 -8.910 8.481 1.00 0.00 N ATOM 651 CA LEU A 45 1.746 -7.752 9.174 1.00 0.00 C ATOM 652 C LEU A 45 3.002 -8.133 9.952 1.00 0.00 C ATOM 653 O LEU A 45 3.995 -7.406 9.941 1.00 0.00 O ATOM 654 CB LEU A 45 0.706 -7.155 10.123 1.00 0.00 C ATOM 655 CG LEU A 45 -0.206 -6.081 9.530 1.00 0.00 C ATOM 656 CD1 LEU A 45 -1.310 -5.716 10.511 1.00 0.00 C ATOM 657 CD2 LEU A 45 0.600 -4.847 9.149 1.00 0.00 C ATOM 0 H LEU A 45 0.214 -9.104 8.699 1.00 0.00 H new ATOM 0 HA LEU A 45 2.016 -7.007 8.426 1.00 0.00 H new ATOM 0 HB2 LEU A 45 0.082 -7.965 10.502 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.228 -6.728 10.979 1.00 0.00 H new ATOM 0 HG LEU A 45 -0.668 -6.482 8.628 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.949 -4.950 10.071 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -1.906 -6.601 10.734 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.868 -5.335 11.431 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.066 -4.093 8.729 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.090 -4.445 10.036 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.353 -5.119 8.410 1.00 0.00 H new ATOM 669 N ASN A 46 2.951 -9.278 10.624 1.00 0.00 N ATOM 670 CA ASN A 46 4.085 -9.757 11.406 1.00 0.00 C ATOM 671 C ASN A 46 5.386 -9.612 10.622 1.00 0.00 C ATOM 672 O ASN A 46 6.419 -9.239 11.178 1.00 0.00 O ATOM 673 CB ASN A 46 3.876 -11.219 11.804 1.00 0.00 C ATOM 674 CG ASN A 46 2.998 -11.364 13.032 1.00 0.00 C ATOM 675 OD1 ASN A 46 3.155 -10.635 14.011 1.00 0.00 O ATOM 676 ND2 ASN A 46 2.067 -12.310 12.985 1.00 0.00 N ATOM 0 H ASN A 46 2.136 -9.892 10.643 1.00 0.00 H new ATOM 0 HA ASN A 46 4.155 -9.149 12.308 1.00 0.00 H new ATOM 0 HB2 ASN A 46 3.424 -11.758 10.972 1.00 0.00 H new ATOM 0 HB3 ASN A 46 4.844 -11.682 11.996 1.00 0.00 H new ATOM 0 HD21 ASN A 46 1.447 -12.455 13.782 1.00 0.00 H new ATOM 0 HD22 ASN A 46 1.972 -12.892 12.152 1.00 0.00 H new ATOM 683 N ILE A 47 5.327 -9.910 9.329 1.00 0.00 N ATOM 684 CA ILE A 47 6.499 -9.811 8.468 1.00 0.00 C ATOM 685 C ILE A 47 7.135 -8.428 8.562 1.00 0.00 C ATOM 686 O ILE A 47 8.358 -8.291 8.515 1.00 0.00 O ATOM 687 CB ILE A 47 6.145 -10.103 6.998 1.00 0.00 C ATOM 688 CG1 ILE A 47 5.617 -11.531 6.852 1.00 0.00 C ATOM 689 CG2 ILE A 47 7.360 -9.887 6.108 1.00 0.00 C ATOM 690 CD1 ILE A 47 4.738 -11.729 5.637 1.00 0.00 C ATOM 0 H ILE A 47 4.480 -10.222 8.854 1.00 0.00 H new ATOM 0 HA ILE A 47 7.210 -10.560 8.817 1.00 0.00 H new ATOM 0 HB ILE A 47 5.362 -9.413 6.684 1.00 0.00 H new ATOM 0 HG12 ILE A 47 6.461 -12.218 6.795 1.00 0.00 H new ATOM 0 HG13 ILE A 47 5.052 -11.794 7.746 1.00 0.00 H new ATOM 0 HG21 ILE A 47 7.094 -10.097 5.072 1.00 0.00 H new ATOM 0 HG22 ILE A 47 7.695 -8.853 6.194 1.00 0.00 H new ATOM 0 HG23 ILE A 47 8.163 -10.555 6.419 1.00 0.00 H new ATOM 0 HD11 ILE A 47 4.400 -12.764 5.597 1.00 0.00 H new ATOM 0 HD12 ILE A 47 3.874 -11.067 5.701 1.00 0.00 H new ATOM 0 HD13 ILE A 47 5.306 -11.498 4.736 1.00 0.00 H new ATOM 702 N HIS A 48 6.297 -7.405 8.696 1.00 0.00 N ATOM 703 CA HIS A 48 6.777 -6.032 8.799 1.00 0.00 C ATOM 704 C HIS A 48 7.450 -5.791 10.146 1.00 0.00 C ATOM 705 O HIS A 48 8.523 -5.195 10.217 1.00 0.00 O ATOM 706 CB HIS A 48 5.620 -5.049 8.610 1.00 0.00 C ATOM 707 CG HIS A 48 5.108 -4.990 7.204 1.00 0.00 C ATOM 708 ND1 HIS A 48 5.923 -5.130 6.100 1.00 0.00 N ATOM 709 CD2 HIS A 48 3.856 -4.806 6.725 1.00 0.00 C ATOM 710 CE1 HIS A 48 5.193 -5.033 5.002 1.00 0.00 C ATOM 711 NE2 HIS A 48 3.935 -4.837 5.354 1.00 0.00 N ATOM 0 H HIS A 48 5.282 -7.501 8.736 1.00 0.00 H new ATOM 0 HA HIS A 48 7.513 -5.871 8.011 1.00 0.00 H new ATOM 0 HB2 HIS A 48 4.803 -5.331 9.274 1.00 0.00 H new ATOM 0 HB3 HIS A 48 5.947 -4.054 8.911 1.00 0.00 H new ATOM 0 HD1 HIS A 48 6.931 -5.284 6.127 1.00 0.00 H new ATOM 0 HD2 HIS A 48 2.961 -4.662 7.312 1.00 0.00 H new ATOM 0 HE1 HIS A 48 5.562 -5.102 3.989 1.00 0.00 H new ATOM 719 N ASN A 49 6.810 -6.258 11.214 1.00 0.00 N ATOM 720 CA ASN A 49 7.346 -6.092 12.560 1.00 0.00 C ATOM 721 C ASN A 49 8.679 -6.819 12.708 1.00 0.00 C ATOM 722 O ASN A 49 9.654 -6.253 13.201 1.00 0.00 O ATOM 723 CB ASN A 49 6.350 -6.615 13.596 1.00 0.00 C ATOM 724 CG ASN A 49 4.970 -6.008 13.430 1.00 0.00 C ATOM 725 OD1 ASN A 49 4.834 -4.826 13.112 1.00 0.00 O ATOM 726 ND2 ASN A 49 3.939 -6.816 13.644 1.00 0.00 N ATOM 0 H ASN A 49 5.920 -6.754 11.173 1.00 0.00 H new ATOM 0 HA ASN A 49 7.512 -5.028 12.730 1.00 0.00 H new ATOM 0 HB2 ASN A 49 6.279 -7.700 13.513 1.00 0.00 H new ATOM 0 HB3 ASN A 49 6.722 -6.396 14.597 1.00 0.00 H new ATOM 0 HD21 ASN A 49 2.987 -6.464 13.547 1.00 0.00 H new ATOM 0 HD22 ASN A 49 4.099 -7.789 13.906 1.00 0.00 H new ATOM 733 N GLU A 50 8.713 -8.076 12.276 1.00 0.00 N ATOM 734 CA GLU A 50 9.927 -8.880 12.361 1.00 0.00 C ATOM 735 C GLU A 50 11.065 -8.232 11.578 1.00 0.00 C ATOM 736 O GLU A 50 12.216 -8.247 12.011 1.00 0.00 O ATOM 737 CB GLU A 50 9.668 -10.292 11.830 1.00 0.00 C ATOM 738 CG GLU A 50 9.630 -10.375 10.314 1.00 0.00 C ATOM 739 CD GLU A 50 9.669 -11.803 9.806 1.00 0.00 C ATOM 740 OE1 GLU A 50 10.289 -12.655 10.477 1.00 0.00 O ATOM 741 OE2 GLU A 50 9.080 -12.069 8.738 1.00 0.00 O ATOM 0 H GLU A 50 7.915 -8.559 11.864 1.00 0.00 H new ATOM 0 HA GLU A 50 10.219 -8.941 13.409 1.00 0.00 H new ATOM 0 HB2 GLU A 50 10.445 -10.959 12.203 1.00 0.00 H new ATOM 0 HB3 GLU A 50 8.720 -10.653 12.229 1.00 0.00 H new ATOM 0 HG2 GLU A 50 8.725 -9.889 9.950 1.00 0.00 H new ATOM 0 HG3 GLU A 50 10.476 -9.824 9.903 1.00 0.00 H new ATOM 748 N GLU A 51 10.732 -7.664 10.423 1.00 0.00 N ATOM 749 CA GLU A 51 11.727 -7.011 9.579 1.00 0.00 C ATOM 750 C GLU A 51 12.156 -5.675 10.178 1.00 0.00 C ATOM 751 O GLU A 51 13.336 -5.325 10.160 1.00 0.00 O ATOM 752 CB GLU A 51 11.170 -6.796 8.170 1.00 0.00 C ATOM 753 CG GLU A 51 11.258 -8.028 7.286 1.00 0.00 C ATOM 754 CD GLU A 51 12.685 -8.375 6.910 1.00 0.00 C ATOM 755 OE1 GLU A 51 13.469 -7.443 6.632 1.00 0.00 O ATOM 756 OE2 GLU A 51 13.019 -9.578 6.892 1.00 0.00 O ATOM 0 H GLU A 51 9.783 -7.643 10.051 1.00 0.00 H new ATOM 0 HA GLU A 51 12.601 -7.660 9.522 1.00 0.00 H new ATOM 0 HB2 GLU A 51 10.128 -6.486 8.244 1.00 0.00 H new ATOM 0 HB3 GLU A 51 11.713 -5.979 7.695 1.00 0.00 H new ATOM 0 HG2 GLU A 51 10.806 -8.875 7.803 1.00 0.00 H new ATOM 0 HG3 GLU A 51 10.677 -7.862 6.379 1.00 0.00 H new ATOM 763 N PHE A 52 11.190 -4.933 10.708 1.00 0.00 N ATOM 764 CA PHE A 52 11.466 -3.634 11.312 1.00 0.00 C ATOM 765 C PHE A 52 12.648 -3.722 12.272 1.00 0.00 C ATOM 766 O PHE A 52 13.535 -2.869 12.260 1.00 0.00 O ATOM 767 CB PHE A 52 10.230 -3.118 12.051 1.00 0.00 C ATOM 768 CG PHE A 52 10.222 -1.628 12.238 1.00 0.00 C ATOM 769 CD1 PHE A 52 11.102 -1.022 13.120 1.00 0.00 C ATOM 770 CD2 PHE A 52 9.334 -0.833 11.530 1.00 0.00 C ATOM 771 CE1 PHE A 52 11.095 0.349 13.293 1.00 0.00 C ATOM 772 CE2 PHE A 52 9.324 0.539 11.699 1.00 0.00 C ATOM 773 CZ PHE A 52 10.206 1.131 12.581 1.00 0.00 C ATOM 0 H PHE A 52 10.208 -5.209 10.732 1.00 0.00 H new ATOM 0 HA PHE A 52 11.720 -2.936 10.514 1.00 0.00 H new ATOM 0 HB2 PHE A 52 9.337 -3.412 11.499 1.00 0.00 H new ATOM 0 HB3 PHE A 52 10.173 -3.599 13.027 1.00 0.00 H new ATOM 0 HD1 PHE A 52 11.801 -1.627 13.678 1.00 0.00 H new ATOM 0 HD2 PHE A 52 8.642 -1.291 10.839 1.00 0.00 H new ATOM 0 HE1 PHE A 52 11.785 0.809 13.985 1.00 0.00 H new ATOM 0 HE2 PHE A 52 8.627 1.147 11.142 1.00 0.00 H new ATOM 0 HZ PHE A 52 10.201 2.203 12.714 1.00 0.00 H new ATOM 783 N GLN A 53 12.652 -4.759 13.104 1.00 0.00 N ATOM 784 CA GLN A 53 13.724 -4.957 14.072 1.00 0.00 C ATOM 785 C GLN A 53 15.081 -4.634 13.455 1.00 0.00 C ATOM 786 O GLN A 53 15.867 -3.874 14.021 1.00 0.00 O ATOM 787 CB GLN A 53 13.714 -6.397 14.588 1.00 0.00 C ATOM 788 CG GLN A 53 12.754 -6.623 15.744 1.00 0.00 C ATOM 789 CD GLN A 53 13.373 -6.297 17.089 1.00 0.00 C ATOM 790 OE1 GLN A 53 14.172 -7.069 17.620 1.00 0.00 O ATOM 791 NE2 GLN A 53 13.007 -5.150 17.647 1.00 0.00 N ATOM 0 H GLN A 53 11.925 -5.474 13.127 1.00 0.00 H new ATOM 0 HA GLN A 53 13.555 -4.278 14.908 1.00 0.00 H new ATOM 0 HB2 GLN A 53 13.447 -7.065 13.769 1.00 0.00 H new ATOM 0 HB3 GLN A 53 14.721 -6.667 14.905 1.00 0.00 H new ATOM 0 HG2 GLN A 53 11.865 -6.009 15.599 1.00 0.00 H new ATOM 0 HG3 GLN A 53 12.427 -7.663 15.741 1.00 0.00 H new ATOM 0 HE21 GLN A 53 12.342 -4.541 17.171 1.00 0.00 H new ATOM 0 HE22 GLN A 53 13.391 -4.878 18.552 1.00 0.00 H new ATOM 800 N LYS A 54 15.351 -5.218 12.293 1.00 0.00 N ATOM 801 CA LYS A 54 16.613 -4.993 11.598 1.00 0.00 C ATOM 802 C LYS A 54 16.677 -3.577 11.033 1.00 0.00 C ATOM 803 O LYS A 54 17.712 -2.915 11.110 1.00 0.00 O ATOM 804 CB LYS A 54 16.786 -6.012 10.469 1.00 0.00 C ATOM 805 CG LYS A 54 18.237 -6.332 10.156 1.00 0.00 C ATOM 806 CD LYS A 54 18.869 -7.180 11.247 1.00 0.00 C ATOM 807 CE LYS A 54 20.377 -7.279 11.074 1.00 0.00 C ATOM 808 NZ LYS A 54 21.052 -5.980 11.346 1.00 0.00 N ATOM 0 H LYS A 54 14.712 -5.851 11.812 1.00 0.00 H new ATOM 0 HA LYS A 54 17.423 -5.116 12.317 1.00 0.00 H new ATOM 0 HB2 LYS A 54 16.270 -6.933 10.740 1.00 0.00 H new ATOM 0 HB3 LYS A 54 16.305 -5.630 9.569 1.00 0.00 H new ATOM 0 HG2 LYS A 54 18.297 -6.859 9.204 1.00 0.00 H new ATOM 0 HG3 LYS A 54 18.799 -5.405 10.043 1.00 0.00 H new ATOM 0 HD2 LYS A 54 18.641 -6.749 12.222 1.00 0.00 H new ATOM 0 HD3 LYS A 54 18.434 -8.179 11.231 1.00 0.00 H new ATOM 0 HE2 LYS A 54 20.771 -8.041 11.747 1.00 0.00 H new ATOM 0 HE3 LYS A 54 20.606 -7.602 10.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 22.070 -6.140 11.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 20.910 -5.339 10.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 20.648 -5.552 12.204 1.00 0.00 H new ATOM 822 N ARG A 55 15.566 -3.120 10.467 1.00 0.00 N ATOM 823 CA ARG A 55 15.497 -1.783 9.889 1.00 0.00 C ATOM 824 C ARG A 55 16.190 -0.765 10.791 1.00 0.00 C ATOM 825 O ARG A 55 16.785 0.200 10.311 1.00 0.00 O ATOM 826 CB ARG A 55 14.039 -1.374 9.668 1.00 0.00 C ATOM 827 CG ARG A 55 13.862 -0.300 8.607 1.00 0.00 C ATOM 828 CD ARG A 55 12.408 -0.172 8.181 1.00 0.00 C ATOM 829 NE ARG A 55 11.896 -1.412 7.602 1.00 0.00 N ATOM 830 CZ ARG A 55 10.796 -1.477 6.861 1.00 0.00 C ATOM 831 NH1 ARG A 55 10.096 -0.379 6.609 1.00 0.00 N ATOM 832 NH2 ARG A 55 10.394 -2.642 6.369 1.00 0.00 N ATOM 0 H ARG A 55 14.701 -3.655 10.396 1.00 0.00 H new ATOM 0 HA ARG A 55 16.012 -1.803 8.928 1.00 0.00 H new ATOM 0 HB2 ARG A 55 13.463 -2.254 9.382 1.00 0.00 H new ATOM 0 HB3 ARG A 55 13.625 -1.014 10.610 1.00 0.00 H new ATOM 0 HG2 ARG A 55 14.215 0.656 8.993 1.00 0.00 H new ATOM 0 HG3 ARG A 55 14.477 -0.539 7.739 1.00 0.00 H new ATOM 0 HD2 ARG A 55 11.801 0.103 9.043 1.00 0.00 H new ATOM 0 HD3 ARG A 55 12.313 0.634 7.454 1.00 0.00 H new ATOM 0 HE ARG A 55 12.412 -2.275 7.776 1.00 0.00 H new ATOM 0 HH11 ARG A 55 10.402 0.518 6.985 1.00 0.00 H new ATOM 0 HH12 ARG A 55 9.251 -0.432 6.039 1.00 0.00 H new ATOM 0 HH21 ARG A 55 10.930 -3.489 6.560 1.00 0.00 H new ATOM 0 HH22 ARG A 55 9.549 -2.691 5.800 1.00 0.00 H new ATOM 846 N ALA A 56 16.109 -0.988 12.098 1.00 0.00 N ATOM 847 CA ALA A 56 16.730 -0.092 13.066 1.00 0.00 C ATOM 848 C ALA A 56 18.251 -0.184 13.002 1.00 0.00 C ATOM 849 O ALA A 56 18.873 -0.911 13.777 1.00 0.00 O ATOM 850 CB ALA A 56 16.239 -0.410 14.470 1.00 0.00 C ATOM 0 H ALA A 56 15.619 -1.782 12.511 1.00 0.00 H new ATOM 0 HA ALA A 56 16.443 0.929 12.815 1.00 0.00 H new ATOM 0 HB1 ALA A 56 16.711 0.267 15.182 1.00 0.00 H new ATOM 0 HB2 ALA A 56 15.157 -0.286 14.514 1.00 0.00 H new ATOM 0 HB3 ALA A 56 16.497 -1.439 14.721 1.00 0.00 H new ATOM 856 N LYS A 57 18.845 0.557 12.073 1.00 0.00 N ATOM 857 CA LYS A 57 20.294 0.560 11.908 1.00 0.00 C ATOM 858 C LYS A 57 20.992 0.848 13.233 1.00 0.00 C ATOM 859 O LYS A 57 20.483 1.601 14.063 1.00 0.00 O ATOM 860 CB LYS A 57 20.707 1.602 10.865 1.00 0.00 C ATOM 861 CG LYS A 57 20.774 1.053 9.450 1.00 0.00 C ATOM 862 CD LYS A 57 19.399 0.654 8.942 1.00 0.00 C ATOM 863 CE LYS A 57 19.472 0.062 7.543 1.00 0.00 C ATOM 864 NZ LYS A 57 18.152 0.099 6.854 1.00 0.00 N ATOM 0 H LYS A 57 18.345 1.163 11.423 1.00 0.00 H new ATOM 0 HA LYS A 57 20.598 -0.429 11.565 1.00 0.00 H new ATOM 0 HB2 LYS A 57 19.999 2.430 10.891 1.00 0.00 H new ATOM 0 HB3 LYS A 57 21.682 2.007 11.135 1.00 0.00 H new ATOM 0 HG2 LYS A 57 21.204 1.804 8.787 1.00 0.00 H new ATOM 0 HG3 LYS A 57 21.437 0.188 9.425 1.00 0.00 H new ATOM 0 HD2 LYS A 57 18.955 -0.072 9.623 1.00 0.00 H new ATOM 0 HD3 LYS A 57 18.745 1.526 8.936 1.00 0.00 H new ATOM 0 HE2 LYS A 57 20.205 0.613 6.953 1.00 0.00 H new ATOM 0 HE3 LYS A 57 19.821 -0.969 7.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 18.245 -0.314 5.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 17.458 -0.448 7.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 17.830 1.085 6.774 1.00 0.00 H new ATOM 878 N ARG A 58 22.161 0.245 13.424 1.00 0.00 N ATOM 879 CA ARG A 58 22.929 0.437 14.648 1.00 0.00 C ATOM 880 C ARG A 58 24.358 0.868 14.332 1.00 0.00 C ATOM 881 O ARG A 58 24.897 1.776 14.965 1.00 0.00 O ATOM 882 CB ARG A 58 22.945 -0.851 15.473 1.00 0.00 C ATOM 883 CG ARG A 58 21.638 -1.126 16.198 1.00 0.00 C ATOM 884 CD ARG A 58 21.426 -0.158 17.351 1.00 0.00 C ATOM 885 NE ARG A 58 20.108 -0.312 17.961 1.00 0.00 N ATOM 886 CZ ARG A 58 19.561 0.590 18.768 1.00 0.00 C ATOM 887 NH1 ARG A 58 20.216 1.705 19.061 1.00 0.00 N ATOM 888 NH2 ARG A 58 18.357 0.378 19.284 1.00 0.00 N ATOM 0 H ARG A 58 22.597 -0.381 12.746 1.00 0.00 H new ATOM 0 HA ARG A 58 22.449 1.226 15.227 1.00 0.00 H new ATOM 0 HB2 ARG A 58 23.170 -1.691 14.815 1.00 0.00 H new ATOM 0 HB3 ARG A 58 23.751 -0.794 16.204 1.00 0.00 H new ATOM 0 HG2 ARG A 58 20.808 -1.045 15.496 1.00 0.00 H new ATOM 0 HG3 ARG A 58 21.638 -2.149 16.575 1.00 0.00 H new ATOM 0 HD2 ARG A 58 22.196 -0.319 18.106 1.00 0.00 H new ATOM 0 HD3 ARG A 58 21.542 0.865 16.992 1.00 0.00 H new ATOM 0 HE ARG A 58 19.578 -1.159 17.756 1.00 0.00 H new ATOM 0 HH11 ARG A 58 21.142 1.871 18.666 1.00 0.00 H new ATOM 0 HH12 ARG A 58 19.794 2.396 19.681 1.00 0.00 H new ATOM 0 HH21 ARG A 58 17.850 -0.479 19.061 1.00 0.00 H new ATOM 0 HH22 ARG A 58 17.938 1.072 19.904 1.00 0.00 H new ATOM 902 N GLN A 59 24.965 0.211 13.349 1.00 0.00 N ATOM 903 CA GLN A 59 26.332 0.526 12.949 1.00 0.00 C ATOM 904 C GLN A 59 26.361 1.162 11.564 1.00 0.00 C ATOM 905 O GLN A 59 25.325 1.312 10.918 1.00 0.00 O ATOM 906 CB GLN A 59 27.193 -0.738 12.962 1.00 0.00 C ATOM 907 CG GLN A 59 26.740 -1.793 11.966 1.00 0.00 C ATOM 908 CD GLN A 59 27.134 -3.196 12.383 1.00 0.00 C ATOM 909 OE1 GLN A 59 26.808 -3.644 13.483 1.00 0.00 O ATOM 910 NE2 GLN A 59 27.839 -3.900 11.505 1.00 0.00 N ATOM 0 H GLN A 59 24.532 -0.543 12.815 1.00 0.00 H new ATOM 0 HA GLN A 59 26.738 1.241 13.665 1.00 0.00 H new ATOM 0 HB2 GLN A 59 28.226 -0.466 12.746 1.00 0.00 H new ATOM 0 HB3 GLN A 59 27.179 -1.167 13.964 1.00 0.00 H new ATOM 0 HG2 GLN A 59 25.657 -1.742 11.855 1.00 0.00 H new ATOM 0 HG3 GLN A 59 27.171 -1.574 10.989 1.00 0.00 H new ATOM 0 HE21 GLN A 59 28.088 -3.490 10.605 1.00 0.00 H new ATOM 0 HE22 GLN A 59 28.132 -4.851 11.731 1.00 0.00 H new ATOM 919 N GLU A 60 27.556 1.534 11.114 1.00 0.00 N ATOM 920 CA GLU A 60 27.719 2.155 9.805 1.00 0.00 C ATOM 921 C GLU A 60 27.571 1.123 8.690 1.00 0.00 C ATOM 922 O GLU A 60 27.596 -0.083 8.939 1.00 0.00 O ATOM 923 CB GLU A 60 29.085 2.836 9.705 1.00 0.00 C ATOM 924 CG GLU A 60 29.083 4.278 10.186 1.00 0.00 C ATOM 925 CD GLU A 60 30.456 4.748 10.626 1.00 0.00 C ATOM 926 OE1 GLU A 60 31.454 4.324 10.007 1.00 0.00 O ATOM 927 OE2 GLU A 60 30.532 5.540 11.588 1.00 0.00 O ATOM 0 H GLU A 60 28.424 1.416 11.636 1.00 0.00 H new ATOM 0 HA GLU A 60 26.937 2.905 9.688 1.00 0.00 H new ATOM 0 HB2 GLU A 60 29.809 2.268 10.290 1.00 0.00 H new ATOM 0 HB3 GLU A 60 29.421 2.808 8.668 1.00 0.00 H new ATOM 0 HG2 GLU A 60 28.721 4.924 9.386 1.00 0.00 H new ATOM 0 HG3 GLU A 60 28.385 4.379 11.017 1.00 0.00 H new ATOM 934 N ARG A 61 27.416 1.605 7.462 1.00 0.00 N ATOM 935 CA ARG A 61 27.262 0.725 6.309 1.00 0.00 C ATOM 936 C ARG A 61 27.923 1.328 5.073 1.00 0.00 C ATOM 937 O ARG A 61 28.081 2.544 4.972 1.00 0.00 O ATOM 938 CB ARG A 61 25.780 0.467 6.033 1.00 0.00 C ATOM 939 CG ARG A 61 25.526 -0.313 4.754 1.00 0.00 C ATOM 940 CD ARG A 61 24.052 -0.307 4.380 1.00 0.00 C ATOM 941 NE ARG A 61 23.568 1.038 4.082 1.00 0.00 N ATOM 942 CZ ARG A 61 22.530 1.288 3.292 1.00 0.00 C ATOM 943 NH1 ARG A 61 21.870 0.288 2.724 1.00 0.00 N ATOM 944 NH2 ARG A 61 22.150 2.539 3.069 1.00 0.00 N ATOM 0 H ARG A 61 27.394 2.600 7.239 1.00 0.00 H new ATOM 0 HA ARG A 61 27.753 -0.221 6.537 1.00 0.00 H new ATOM 0 HB2 ARG A 61 25.352 -0.080 6.873 1.00 0.00 H new ATOM 0 HB3 ARG A 61 25.258 1.422 5.976 1.00 0.00 H new ATOM 0 HG2 ARG A 61 26.110 0.119 3.941 1.00 0.00 H new ATOM 0 HG3 ARG A 61 25.866 -1.341 4.880 1.00 0.00 H new ATOM 0 HD2 ARG A 61 23.896 -0.949 3.513 1.00 0.00 H new ATOM 0 HD3 ARG A 61 23.469 -0.729 5.198 1.00 0.00 H new ATOM 0 HE ARG A 61 24.054 1.829 4.504 1.00 0.00 H new ATOM 0 HH11 ARG A 61 22.159 -0.675 2.893 1.00 0.00 H new ATOM 0 HH12 ARG A 61 21.073 0.482 2.118 1.00 0.00 H new ATOM 0 HH21 ARG A 61 22.655 3.311 3.504 1.00 0.00 H new ATOM 0 HH22 ARG A 61 21.353 2.729 2.462 1.00 0.00 H new ATOM 958 N ARG A 62 28.309 0.468 4.136 1.00 0.00 N ATOM 959 CA ARG A 62 28.955 0.914 2.908 1.00 0.00 C ATOM 960 C ARG A 62 28.066 0.644 1.697 1.00 0.00 C ATOM 961 O ARG A 62 27.251 -0.279 1.705 1.00 0.00 O ATOM 962 CB ARG A 62 30.303 0.213 2.732 1.00 0.00 C ATOM 963 CG ARG A 62 31.258 0.954 1.811 1.00 0.00 C ATOM 964 CD ARG A 62 32.486 0.116 1.490 1.00 0.00 C ATOM 965 NE ARG A 62 32.152 -1.062 0.693 1.00 0.00 N ATOM 966 CZ ARG A 62 32.077 -1.054 -0.633 1.00 0.00 C ATOM 967 NH1 ARG A 62 32.311 0.064 -1.307 1.00 0.00 N ATOM 968 NH2 ARG A 62 31.767 -2.166 -1.288 1.00 0.00 N ATOM 0 H ARG A 62 28.185 -0.542 4.204 1.00 0.00 H new ATOM 0 HA ARG A 62 29.120 1.989 2.983 1.00 0.00 H new ATOM 0 HB2 ARG A 62 30.772 0.095 3.709 1.00 0.00 H new ATOM 0 HB3 ARG A 62 30.133 -0.788 2.336 1.00 0.00 H new ATOM 0 HG2 ARG A 62 30.743 1.216 0.887 1.00 0.00 H new ATOM 0 HG3 ARG A 62 31.566 1.888 2.280 1.00 0.00 H new ATOM 0 HD2 ARG A 62 33.210 0.726 0.950 1.00 0.00 H new ATOM 0 HD3 ARG A 62 32.963 -0.198 2.418 1.00 0.00 H new ATOM 0 HE ARG A 62 31.966 -1.938 1.181 1.00 0.00 H new ATOM 0 HH11 ARG A 62 32.549 0.921 -0.807 1.00 0.00 H new ATOM 0 HH12 ARG A 62 32.253 0.067 -2.325 1.00 0.00 H new ATOM 0 HH21 ARG A 62 31.586 -3.028 -0.773 1.00 0.00 H new ATOM 0 HH22 ARG A 62 31.710 -2.159 -2.306 1.00 0.00 H new ATOM 982 N LYS A 63 28.229 1.455 0.658 1.00 0.00 N ATOM 983 CA LYS A 63 27.444 1.304 -0.562 1.00 0.00 C ATOM 984 C LYS A 63 28.335 1.386 -1.797 1.00 0.00 C ATOM 985 O LYS A 63 29.518 1.712 -1.698 1.00 0.00 O ATOM 986 CB LYS A 63 26.359 2.382 -0.630 1.00 0.00 C ATOM 987 CG LYS A 63 26.891 3.757 -0.995 1.00 0.00 C ATOM 988 CD LYS A 63 27.370 4.514 0.232 1.00 0.00 C ATOM 989 CE LYS A 63 28.322 5.639 -0.143 1.00 0.00 C ATOM 990 NZ LYS A 63 27.593 6.838 -0.642 1.00 0.00 N ATOM 0 H LYS A 63 28.898 2.224 0.636 1.00 0.00 H new ATOM 0 HA LYS A 63 26.972 0.322 -0.542 1.00 0.00 H new ATOM 0 HB2 LYS A 63 25.609 2.085 -1.363 1.00 0.00 H new ATOM 0 HB3 LYS A 63 25.856 2.441 0.335 1.00 0.00 H new ATOM 0 HG2 LYS A 63 27.713 3.654 -1.704 1.00 0.00 H new ATOM 0 HG3 LYS A 63 26.110 4.330 -1.495 1.00 0.00 H new ATOM 0 HD2 LYS A 63 26.512 4.924 0.765 1.00 0.00 H new ATOM 0 HD3 LYS A 63 27.869 3.825 0.914 1.00 0.00 H new ATOM 0 HE2 LYS A 63 28.921 5.913 0.726 1.00 0.00 H new ATOM 0 HE3 LYS A 63 29.014 5.289 -0.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 28.276 7.583 -0.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 27.042 6.583 -1.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 26.951 7.187 0.098 1.00 0.00 H new ATOM 1004 N GLN A 64 27.759 1.089 -2.957 1.00 0.00 N ATOM 1005 CA GLN A 64 28.503 1.130 -4.211 1.00 0.00 C ATOM 1006 C GLN A 64 29.067 2.524 -4.464 1.00 0.00 C ATOM 1007 O GLN A 64 28.876 3.438 -3.660 1.00 0.00 O ATOM 1008 CB GLN A 64 27.603 0.711 -5.375 1.00 0.00 C ATOM 1009 CG GLN A 64 27.510 -0.794 -5.562 1.00 0.00 C ATOM 1010 CD GLN A 64 28.871 -1.457 -5.649 1.00 0.00 C ATOM 1011 OE1 GLN A 64 29.474 -1.524 -6.721 1.00 0.00 O ATOM 1012 NE2 GLN A 64 29.364 -1.950 -4.519 1.00 0.00 N ATOM 0 H GLN A 64 26.781 0.818 -3.055 1.00 0.00 H new ATOM 0 HA GLN A 64 29.335 0.430 -4.134 1.00 0.00 H new ATOM 0 HB2 GLN A 64 26.602 1.111 -5.211 1.00 0.00 H new ATOM 0 HB3 GLN A 64 27.979 1.160 -6.294 1.00 0.00 H new ATOM 0 HG2 GLN A 64 26.952 -1.226 -4.731 1.00 0.00 H new ATOM 0 HG3 GLN A 64 26.947 -1.009 -6.470 1.00 0.00 H new ATOM 0 HE21 GLN A 64 28.830 -1.873 -3.653 1.00 0.00 H new ATOM 0 HE22 GLN A 64 30.276 -2.406 -4.517 1.00 0.00 H new ATOM 1021 N LEU A 65 29.763 2.680 -5.585 1.00 0.00 N ATOM 1022 CA LEU A 65 30.355 3.964 -5.944 1.00 0.00 C ATOM 1023 C LEU A 65 29.706 4.531 -7.203 1.00 0.00 C ATOM 1024 O LEU A 65 29.125 5.617 -7.179 1.00 0.00 O ATOM 1025 CB LEU A 65 31.862 3.810 -6.160 1.00 0.00 C ATOM 1026 CG LEU A 65 32.722 3.781 -4.896 1.00 0.00 C ATOM 1027 CD1 LEU A 65 32.888 2.355 -4.395 1.00 0.00 C ATOM 1028 CD2 LEU A 65 34.079 4.418 -5.159 1.00 0.00 C ATOM 0 H LEU A 65 29.931 1.934 -6.260 1.00 0.00 H new ATOM 0 HA LEU A 65 30.180 4.659 -5.123 1.00 0.00 H new ATOM 0 HB2 LEU A 65 32.037 2.889 -6.715 1.00 0.00 H new ATOM 0 HB3 LEU A 65 32.204 4.631 -6.789 1.00 0.00 H new ATOM 0 HG LEU A 65 32.216 4.359 -4.123 1.00 0.00 H new ATOM 0 HD11 LEU A 65 33.503 2.355 -3.495 1.00 0.00 H new ATOM 0 HD12 LEU A 65 31.909 1.934 -4.166 1.00 0.00 H new ATOM 0 HD13 LEU A 65 33.371 1.753 -5.165 1.00 0.00 H new ATOM 0 HD21 LEU A 65 34.677 4.388 -4.248 1.00 0.00 H new ATOM 0 HD22 LEU A 65 34.592 3.869 -5.948 1.00 0.00 H new ATOM 0 HD23 LEU A 65 33.941 5.454 -5.469 1.00 0.00 H new ATOM 1040 N LEU A 66 29.805 3.788 -8.299 1.00 0.00 N ATOM 1041 CA LEU A 66 29.225 4.215 -9.568 1.00 0.00 C ATOM 1042 C LEU A 66 27.867 4.874 -9.351 1.00 0.00 C ATOM 1043 O LEU A 66 27.063 4.410 -8.542 1.00 0.00 O ATOM 1044 CB LEU A 66 29.081 3.021 -10.513 1.00 0.00 C ATOM 1045 CG LEU A 66 27.895 2.093 -10.246 1.00 0.00 C ATOM 1046 CD1 LEU A 66 27.516 1.334 -11.508 1.00 0.00 C ATOM 1047 CD2 LEU A 66 28.220 1.125 -9.117 1.00 0.00 C ATOM 0 H LEU A 66 30.281 2.887 -8.335 1.00 0.00 H new ATOM 0 HA LEU A 66 29.895 4.947 -10.018 1.00 0.00 H new ATOM 0 HB2 LEU A 66 28.999 3.398 -11.533 1.00 0.00 H new ATOM 0 HB3 LEU A 66 29.996 2.431 -10.463 1.00 0.00 H new ATOM 0 HG LEU A 66 27.043 2.702 -9.943 1.00 0.00 H new ATOM 0 HD11 LEU A 66 26.670 0.679 -11.298 1.00 0.00 H new ATOM 0 HD12 LEU A 66 27.241 2.042 -12.290 1.00 0.00 H new ATOM 0 HD13 LEU A 66 28.364 0.736 -11.842 1.00 0.00 H new ATOM 0 HD21 LEU A 66 27.365 0.472 -8.940 1.00 0.00 H new ATOM 0 HD22 LEU A 66 29.086 0.523 -9.392 1.00 0.00 H new ATOM 0 HD23 LEU A 66 28.442 1.686 -8.209 1.00 0.00 H new ATOM 1059 N SER A 67 27.616 5.956 -10.081 1.00 0.00 N ATOM 1060 CA SER A 67 26.355 6.680 -9.967 1.00 0.00 C ATOM 1061 C SER A 67 26.109 7.540 -11.203 1.00 0.00 C ATOM 1062 O SER A 67 26.942 7.601 -12.107 1.00 0.00 O ATOM 1063 CB SER A 67 26.357 7.557 -8.714 1.00 0.00 C ATOM 1064 OG SER A 67 26.200 6.774 -7.543 1.00 0.00 O ATOM 0 H SER A 67 28.269 6.351 -10.758 1.00 0.00 H new ATOM 0 HA SER A 67 25.551 5.949 -9.888 1.00 0.00 H new ATOM 0 HB2 SER A 67 27.291 8.116 -8.659 1.00 0.00 H new ATOM 0 HB3 SER A 67 25.551 8.288 -8.777 1.00 0.00 H new ATOM 0 HG SER A 67 26.351 5.830 -7.758 1.00 0.00 H new ATOM 1070 N LYS A 68 24.958 8.203 -11.235 1.00 0.00 N ATOM 1071 CA LYS A 68 24.600 9.061 -12.358 1.00 0.00 C ATOM 1072 C LYS A 68 24.150 10.435 -11.871 1.00 0.00 C ATOM 1073 O LYS A 68 24.052 10.674 -10.668 1.00 0.00 O ATOM 1074 CB LYS A 68 23.488 8.413 -13.187 1.00 0.00 C ATOM 1075 CG LYS A 68 24.001 7.452 -14.246 1.00 0.00 C ATOM 1076 CD LYS A 68 22.941 6.437 -14.638 1.00 0.00 C ATOM 1077 CE LYS A 68 22.019 6.984 -15.718 1.00 0.00 C ATOM 1078 NZ LYS A 68 20.699 6.294 -15.722 1.00 0.00 N ATOM 0 H LYS A 68 24.257 8.162 -10.495 1.00 0.00 H new ATOM 0 HA LYS A 68 25.484 9.188 -12.983 1.00 0.00 H new ATOM 0 HB2 LYS A 68 22.813 7.878 -12.519 1.00 0.00 H new ATOM 0 HB3 LYS A 68 22.904 9.196 -13.671 1.00 0.00 H new ATOM 0 HG2 LYS A 68 24.313 8.013 -15.127 1.00 0.00 H new ATOM 0 HG3 LYS A 68 24.883 6.932 -13.871 1.00 0.00 H new ATOM 0 HD2 LYS A 68 23.422 5.526 -14.995 1.00 0.00 H new ATOM 0 HD3 LYS A 68 22.354 6.164 -13.761 1.00 0.00 H new ATOM 0 HE2 LYS A 68 21.870 8.052 -15.561 1.00 0.00 H new ATOM 0 HE3 LYS A 68 22.493 6.868 -16.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 20.100 6.695 -16.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 20.839 5.278 -15.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 20.235 6.426 -14.800 1.00 0.00 H new ATOM 1092 N GLN A 69 23.876 11.331 -12.813 1.00 0.00 N ATOM 1093 CA GLN A 69 23.435 12.680 -12.478 1.00 0.00 C ATOM 1094 C GLN A 69 22.461 13.210 -13.525 1.00 0.00 C ATOM 1095 O GLN A 69 22.358 12.666 -14.625 1.00 0.00 O ATOM 1096 CB GLN A 69 24.638 13.618 -12.362 1.00 0.00 C ATOM 1097 CG GLN A 69 24.424 14.764 -11.387 1.00 0.00 C ATOM 1098 CD GLN A 69 24.080 14.285 -9.990 1.00 0.00 C ATOM 1099 OE1 GLN A 69 22.935 13.932 -9.707 1.00 0.00 O ATOM 1100 NE2 GLN A 69 25.073 14.270 -9.108 1.00 0.00 N ATOM 0 H GLN A 69 23.951 11.148 -13.814 1.00 0.00 H new ATOM 0 HA GLN A 69 22.921 12.639 -11.518 1.00 0.00 H new ATOM 0 HB2 GLN A 69 25.508 13.042 -12.047 1.00 0.00 H new ATOM 0 HB3 GLN A 69 24.865 14.027 -13.346 1.00 0.00 H new ATOM 0 HG2 GLN A 69 25.326 15.374 -11.346 1.00 0.00 H new ATOM 0 HG3 GLN A 69 23.622 15.404 -11.755 1.00 0.00 H new ATOM 0 HE21 GLN A 69 26.007 14.571 -9.386 1.00 0.00 H new ATOM 0 HE22 GLN A 69 24.902 13.957 -8.152 1.00 0.00 H new ATOM 1109 N LYS A 70 21.747 14.275 -13.176 1.00 0.00 N ATOM 1110 CA LYS A 70 20.781 14.880 -14.085 1.00 0.00 C ATOM 1111 C LYS A 70 21.019 16.381 -14.211 1.00 0.00 C ATOM 1112 O LYS A 70 21.839 16.952 -13.492 1.00 0.00 O ATOM 1113 CB LYS A 70 19.355 14.619 -13.594 1.00 0.00 C ATOM 1114 CG LYS A 70 19.067 15.205 -12.222 1.00 0.00 C ATOM 1115 CD LYS A 70 17.933 14.469 -11.529 1.00 0.00 C ATOM 1116 CE LYS A 70 16.576 14.927 -12.040 1.00 0.00 C ATOM 1117 NZ LYS A 70 16.078 16.119 -11.298 1.00 0.00 N ATOM 0 H LYS A 70 21.819 14.737 -12.270 1.00 0.00 H new ATOM 0 HA LYS A 70 20.910 14.425 -15.067 1.00 0.00 H new ATOM 0 HB2 LYS A 70 18.650 15.036 -14.313 1.00 0.00 H new ATOM 0 HB3 LYS A 70 19.181 13.543 -13.564 1.00 0.00 H new ATOM 0 HG2 LYS A 70 19.965 15.153 -11.607 1.00 0.00 H new ATOM 0 HG3 LYS A 70 18.810 16.260 -12.322 1.00 0.00 H new ATOM 0 HD2 LYS A 70 18.041 13.397 -11.692 1.00 0.00 H new ATOM 0 HD3 LYS A 70 17.993 14.636 -10.454 1.00 0.00 H new ATOM 0 HE2 LYS A 70 16.649 15.164 -13.101 1.00 0.00 H new ATOM 0 HE3 LYS A 70 15.858 14.113 -11.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 15.151 16.401 -11.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 15.984 15.886 -10.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 16.751 16.904 -11.411 1.00 0.00 H new ATOM 1131 N TYR A 71 20.297 17.015 -15.129 1.00 0.00 N ATOM 1132 CA TYR A 71 20.431 18.450 -15.350 1.00 0.00 C ATOM 1133 C TYR A 71 19.064 19.127 -15.382 1.00 0.00 C ATOM 1134 O TYR A 71 18.031 18.467 -15.274 1.00 0.00 O ATOM 1135 CB TYR A 71 21.176 18.718 -16.658 1.00 0.00 C ATOM 1136 CG TYR A 71 22.558 18.106 -16.705 1.00 0.00 C ATOM 1137 CD1 TYR A 71 22.741 16.780 -17.076 1.00 0.00 C ATOM 1138 CD2 TYR A 71 23.682 18.855 -16.377 1.00 0.00 C ATOM 1139 CE1 TYR A 71 24.001 16.217 -17.119 1.00 0.00 C ATOM 1140 CE2 TYR A 71 24.947 18.301 -16.419 1.00 0.00 C ATOM 1141 CZ TYR A 71 25.101 16.981 -16.790 1.00 0.00 C ATOM 1142 OH TYR A 71 26.359 16.425 -16.833 1.00 0.00 O ATOM 0 H TYR A 71 19.613 16.558 -15.732 1.00 0.00 H new ATOM 0 HA TYR A 71 21.003 18.867 -14.521 1.00 0.00 H new ATOM 0 HB2 TYR A 71 20.587 18.328 -17.488 1.00 0.00 H new ATOM 0 HB3 TYR A 71 21.260 19.795 -16.804 1.00 0.00 H new ATOM 0 HD1 TYR A 71 21.882 16.179 -17.335 1.00 0.00 H new ATOM 0 HD2 TYR A 71 23.564 19.888 -16.084 1.00 0.00 H new ATOM 0 HE1 TYR A 71 24.124 15.184 -17.409 1.00 0.00 H new ATOM 0 HE2 TYR A 71 25.810 18.898 -16.163 1.00 0.00 H new ATOM 0 HH TYR A 71 27.023 17.098 -16.574 1.00 0.00 H new ATOM 1152 N ALA A 72 19.068 20.447 -15.532 1.00 0.00 N ATOM 1153 CA ALA A 72 17.830 21.214 -15.581 1.00 0.00 C ATOM 1154 C ALA A 72 17.828 22.178 -16.762 1.00 0.00 C ATOM 1155 O ALA A 72 18.816 22.288 -17.488 1.00 0.00 O ATOM 1156 CB ALA A 72 17.626 21.972 -14.278 1.00 0.00 C ATOM 0 H ALA A 72 19.915 21.008 -15.622 1.00 0.00 H new ATOM 0 HA ALA A 72 17.004 20.515 -15.715 1.00 0.00 H new ATOM 0 HB1 ALA A 72 16.697 22.540 -14.329 1.00 0.00 H new ATOM 0 HB2 ALA A 72 17.573 21.265 -13.450 1.00 0.00 H new ATOM 0 HB3 ALA A 72 18.461 22.655 -14.120 1.00 0.00 H new ATOM 1162 N ASP A 73 16.713 22.875 -16.949 1.00 0.00 N ATOM 1163 CA ASP A 73 16.583 23.831 -18.043 1.00 0.00 C ATOM 1164 C ASP A 73 15.472 24.837 -17.756 1.00 0.00 C ATOM 1165 O ASP A 73 14.807 24.766 -16.723 1.00 0.00 O ATOM 1166 CB ASP A 73 16.299 23.101 -19.356 1.00 0.00 C ATOM 1167 CG ASP A 73 14.879 22.576 -19.432 1.00 0.00 C ATOM 1168 OD1 ASP A 73 14.611 21.501 -18.854 1.00 0.00 O ATOM 1169 OD2 ASP A 73 14.034 23.241 -20.068 1.00 0.00 O ATOM 0 H ASP A 73 15.886 22.796 -16.357 1.00 0.00 H new ATOM 0 HA ASP A 73 17.525 24.372 -18.134 1.00 0.00 H new ATOM 0 HB2 ASP A 73 16.478 23.779 -20.191 1.00 0.00 H new ATOM 0 HB3 ASP A 73 16.996 22.270 -19.465 1.00 0.00 H new ATOM 1174 N GLY A 74 15.278 25.776 -18.677 1.00 0.00 N ATOM 1175 CA GLY A 74 14.249 26.784 -18.504 1.00 0.00 C ATOM 1176 C GLY A 74 14.289 27.846 -19.585 1.00 0.00 C ATOM 1177 O GLY A 74 15.313 28.035 -20.241 1.00 0.00 O ATOM 0 H GLY A 74 15.816 25.856 -19.540 1.00 0.00 H new ATOM 0 HA2 GLY A 74 13.270 26.304 -18.507 1.00 0.00 H new ATOM 0 HA3 GLY A 74 14.369 27.257 -17.530 1.00 0.00 H new ATOM 1181 N ALA A 75 13.172 28.540 -19.773 1.00 0.00 N ATOM 1182 CA ALA A 75 13.084 29.588 -20.782 1.00 0.00 C ATOM 1183 C ALA A 75 11.902 30.513 -20.511 1.00 0.00 C ATOM 1184 O ALA A 75 11.103 30.268 -19.607 1.00 0.00 O ATOM 1185 CB ALA A 75 12.971 28.976 -22.170 1.00 0.00 C ATOM 0 H ALA A 75 12.315 28.395 -19.239 1.00 0.00 H new ATOM 0 HA ALA A 75 13.996 30.183 -20.733 1.00 0.00 H new ATOM 0 HB1 ALA A 75 12.906 29.770 -22.914 1.00 0.00 H new ATOM 0 HB2 ALA A 75 13.850 28.363 -22.370 1.00 0.00 H new ATOM 0 HB3 ALA A 75 12.076 28.356 -22.222 1.00 0.00 H new ATOM 1191 N PHE A 76 11.796 31.577 -21.300 1.00 0.00 N ATOM 1192 CA PHE A 76 10.712 32.540 -21.144 1.00 0.00 C ATOM 1193 C PHE A 76 10.564 33.400 -22.396 1.00 0.00 C ATOM 1194 O PHE A 76 11.408 33.363 -23.291 1.00 0.00 O ATOM 1195 CB PHE A 76 10.965 33.431 -19.926 1.00 0.00 C ATOM 1196 CG PHE A 76 10.582 32.789 -18.624 1.00 0.00 C ATOM 1197 CD1 PHE A 76 9.281 32.368 -18.400 1.00 0.00 C ATOM 1198 CD2 PHE A 76 11.523 32.606 -17.623 1.00 0.00 C ATOM 1199 CE1 PHE A 76 8.926 31.777 -17.202 1.00 0.00 C ATOM 1200 CE2 PHE A 76 11.174 32.016 -16.423 1.00 0.00 C ATOM 1201 CZ PHE A 76 9.874 31.600 -16.213 1.00 0.00 C ATOM 0 H PHE A 76 12.448 31.794 -22.054 1.00 0.00 H new ATOM 0 HA PHE A 76 9.785 31.986 -20.994 1.00 0.00 H new ATOM 0 HB2 PHE A 76 12.022 33.697 -19.894 1.00 0.00 H new ATOM 0 HB3 PHE A 76 10.406 34.359 -20.043 1.00 0.00 H new ATOM 0 HD1 PHE A 76 8.536 32.503 -19.170 1.00 0.00 H new ATOM 0 HD2 PHE A 76 12.541 32.928 -17.783 1.00 0.00 H new ATOM 0 HE1 PHE A 76 7.908 31.454 -17.039 1.00 0.00 H new ATOM 0 HE2 PHE A 76 11.917 31.880 -15.651 1.00 0.00 H new ATOM 0 HZ PHE A 76 9.599 31.137 -15.277 1.00 0.00 H new ATOM 1211 N ALA A 77 9.485 34.174 -22.451 1.00 0.00 N ATOM 1212 CA ALA A 77 9.226 35.044 -23.591 1.00 0.00 C ATOM 1213 C ALA A 77 8.679 36.393 -23.138 1.00 0.00 C ATOM 1214 O ALA A 77 8.413 36.601 -21.954 1.00 0.00 O ATOM 1215 CB ALA A 77 8.258 34.376 -24.556 1.00 0.00 C ATOM 0 H ALA A 77 8.776 34.216 -21.719 1.00 0.00 H new ATOM 0 HA ALA A 77 10.171 35.219 -24.106 1.00 0.00 H new ATOM 0 HB1 ALA A 77 8.074 35.037 -25.403 1.00 0.00 H new ATOM 0 HB2 ALA A 77 8.688 33.440 -24.913 1.00 0.00 H new ATOM 0 HB3 ALA A 77 7.318 34.171 -24.044 1.00 0.00 H new ATOM 1221 N ASP A 78 8.512 37.307 -24.088 1.00 0.00 N ATOM 1222 CA ASP A 78 7.995 38.637 -23.787 1.00 0.00 C ATOM 1223 C ASP A 78 7.511 39.332 -25.055 1.00 0.00 C ATOM 1224 O ASP A 78 7.900 38.964 -26.164 1.00 0.00 O ATOM 1225 CB ASP A 78 9.072 39.484 -23.106 1.00 0.00 C ATOM 1226 CG ASP A 78 8.882 40.968 -23.350 1.00 0.00 C ATOM 1227 OD1 ASP A 78 9.025 41.401 -24.513 1.00 0.00 O ATOM 1228 OD2 ASP A 78 8.590 41.696 -22.379 1.00 0.00 O ATOM 0 H ASP A 78 8.727 37.151 -25.073 1.00 0.00 H new ATOM 0 HA ASP A 78 7.148 38.526 -23.110 1.00 0.00 H new ATOM 0 HB2 ASP A 78 9.058 39.290 -22.033 1.00 0.00 H new ATOM 0 HB3 ASP A 78 10.053 39.181 -23.472 1.00 0.00 H new ATOM 1233 N PHE A 79 6.660 40.338 -24.885 1.00 0.00 N ATOM 1234 CA PHE A 79 6.121 41.084 -26.016 1.00 0.00 C ATOM 1235 C PHE A 79 6.127 42.583 -25.732 1.00 0.00 C ATOM 1236 O PHE A 79 6.510 43.020 -24.647 1.00 0.00 O ATOM 1237 CB PHE A 79 4.697 40.619 -26.329 1.00 0.00 C ATOM 1238 CG PHE A 79 4.643 39.345 -27.124 1.00 0.00 C ATOM 1239 CD1 PHE A 79 4.857 39.358 -28.493 1.00 0.00 C ATOM 1240 CD2 PHE A 79 4.380 38.135 -26.502 1.00 0.00 C ATOM 1241 CE1 PHE A 79 4.807 38.188 -29.226 1.00 0.00 C ATOM 1242 CE2 PHE A 79 4.330 36.962 -27.230 1.00 0.00 C ATOM 1243 CZ PHE A 79 4.545 36.988 -28.594 1.00 0.00 C ATOM 0 H PHE A 79 6.328 40.656 -23.974 1.00 0.00 H new ATOM 0 HA PHE A 79 6.757 40.893 -26.881 1.00 0.00 H new ATOM 0 HB2 PHE A 79 4.156 40.477 -25.394 1.00 0.00 H new ATOM 0 HB3 PHE A 79 4.180 41.404 -26.881 1.00 0.00 H new ATOM 0 HD1 PHE A 79 5.065 40.293 -28.992 1.00 0.00 H new ATOM 0 HD2 PHE A 79 4.212 38.109 -25.435 1.00 0.00 H new ATOM 0 HE1 PHE A 79 4.973 38.212 -30.293 1.00 0.00 H new ATOM 0 HE2 PHE A 79 4.123 36.026 -26.733 1.00 0.00 H new ATOM 0 HZ PHE A 79 4.508 36.072 -29.165 1.00 0.00 H new ATOM 1253 N LYS A 80 5.700 43.367 -26.717 1.00 0.00 N ATOM 1254 CA LYS A 80 5.655 44.818 -26.575 1.00 0.00 C ATOM 1255 C LYS A 80 4.421 45.393 -27.262 1.00 0.00 C ATOM 1256 O LYS A 80 3.891 44.801 -28.202 1.00 0.00 O ATOM 1257 CB LYS A 80 6.920 45.448 -27.163 1.00 0.00 C ATOM 1258 CG LYS A 80 7.290 46.776 -26.527 1.00 0.00 C ATOM 1259 CD LYS A 80 8.073 47.656 -27.487 1.00 0.00 C ATOM 1260 CE LYS A 80 7.156 48.341 -28.489 1.00 0.00 C ATOM 1261 NZ LYS A 80 6.997 47.540 -29.734 1.00 0.00 N ATOM 0 H LYS A 80 5.380 43.022 -27.622 1.00 0.00 H new ATOM 0 HA LYS A 80 5.600 45.053 -25.512 1.00 0.00 H new ATOM 0 HB2 LYS A 80 7.751 44.753 -27.043 1.00 0.00 H new ATOM 0 HB3 LYS A 80 6.779 45.594 -28.234 1.00 0.00 H new ATOM 0 HG2 LYS A 80 6.384 47.295 -26.213 1.00 0.00 H new ATOM 0 HG3 LYS A 80 7.883 46.598 -25.630 1.00 0.00 H new ATOM 0 HD2 LYS A 80 8.626 48.408 -26.924 1.00 0.00 H new ATOM 0 HD3 LYS A 80 8.808 47.052 -28.019 1.00 0.00 H new ATOM 0 HE2 LYS A 80 6.179 48.504 -28.035 1.00 0.00 H new ATOM 0 HE3 LYS A 80 7.559 49.323 -28.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 6.950 48.178 -30.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 7.809 46.899 -29.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 6.121 46.982 -29.678 1.00 0.00 H new ATOM 1275 N GLN A 81 3.971 46.551 -26.788 1.00 0.00 N ATOM 1276 CA GLN A 81 2.800 47.206 -27.359 1.00 0.00 C ATOM 1277 C GLN A 81 3.078 48.681 -27.626 1.00 0.00 C ATOM 1278 O GLN A 81 4.155 49.186 -27.312 1.00 0.00 O ATOM 1279 CB GLN A 81 1.601 47.062 -26.420 1.00 0.00 C ATOM 1280 CG GLN A 81 0.806 45.785 -26.639 1.00 0.00 C ATOM 1281 CD GLN A 81 0.098 45.315 -25.383 1.00 0.00 C ATOM 1282 OE1 GLN A 81 -0.584 46.092 -24.715 1.00 0.00 O ATOM 1283 NE2 GLN A 81 0.257 44.038 -25.056 1.00 0.00 N ATOM 0 H GLN A 81 4.399 47.054 -26.011 1.00 0.00 H new ATOM 0 HA GLN A 81 2.570 46.721 -28.308 1.00 0.00 H new ATOM 0 HB2 GLN A 81 1.953 47.089 -25.389 1.00 0.00 H new ATOM 0 HB3 GLN A 81 0.940 47.919 -26.554 1.00 0.00 H new ATOM 0 HG2 GLN A 81 0.070 45.950 -27.426 1.00 0.00 H new ATOM 0 HG3 GLN A 81 1.476 45.000 -26.989 1.00 0.00 H new ATOM 0 HE21 GLN A 81 0.832 43.430 -25.639 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -0.196 43.665 -24.221 1.00 0.00 H new ATOM 1292 N GLU A 82 2.099 49.367 -28.209 1.00 0.00 N ATOM 1293 CA GLU A 82 2.240 50.785 -28.519 1.00 0.00 C ATOM 1294 C GLU A 82 0.882 51.482 -28.504 1.00 0.00 C ATOM 1295 O GLU A 82 -0.077 51.010 -29.113 1.00 0.00 O ATOM 1296 CB GLU A 82 2.904 50.967 -29.885 1.00 0.00 C ATOM 1297 CG GLU A 82 3.441 52.369 -30.119 1.00 0.00 C ATOM 1298 CD GLU A 82 4.709 52.646 -29.335 1.00 0.00 C ATOM 1299 OE1 GLU A 82 4.911 52.001 -28.285 1.00 0.00 O ATOM 1300 OE2 GLU A 82 5.500 53.508 -29.773 1.00 0.00 O ATOM 0 H GLU A 82 1.201 48.964 -28.476 1.00 0.00 H new ATOM 0 HA GLU A 82 2.870 51.238 -27.754 1.00 0.00 H new ATOM 0 HB2 GLU A 82 3.722 50.253 -29.980 1.00 0.00 H new ATOM 0 HB3 GLU A 82 2.181 50.729 -30.665 1.00 0.00 H new ATOM 0 HG2 GLU A 82 3.638 52.506 -31.182 1.00 0.00 H new ATOM 0 HG3 GLU A 82 2.679 53.097 -29.840 1.00 0.00 H new ATOM 1307 N SER A 83 0.811 52.609 -27.802 1.00 0.00 N ATOM 1308 CA SER A 83 -0.429 53.370 -27.703 1.00 0.00 C ATOM 1309 C SER A 83 -0.187 54.718 -27.030 1.00 0.00 C ATOM 1310 O SER A 83 0.844 54.930 -26.394 1.00 0.00 O ATOM 1311 CB SER A 83 -1.478 52.577 -26.920 1.00 0.00 C ATOM 1312 OG SER A 83 -2.214 51.721 -27.776 1.00 0.00 O ATOM 0 H SER A 83 1.597 53.015 -27.294 1.00 0.00 H new ATOM 0 HA SER A 83 -0.798 53.549 -28.713 1.00 0.00 H new ATOM 0 HB2 SER A 83 -0.989 51.988 -26.144 1.00 0.00 H new ATOM 0 HB3 SER A 83 -2.157 53.265 -26.417 1.00 0.00 H new ATOM 0 HG SER A 83 -1.668 51.490 -28.556 1.00 0.00 H new ATOM 1318 N GLY A 84 -1.147 55.626 -27.177 1.00 0.00 N ATOM 1319 CA GLY A 84 -1.020 56.942 -26.578 1.00 0.00 C ATOM 1320 C GLY A 84 -2.244 57.805 -26.810 1.00 0.00 C ATOM 1321 O GLY A 84 -2.326 58.556 -27.782 1.00 0.00 O ATOM 0 H GLY A 84 -2.010 55.474 -27.700 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -0.852 56.835 -25.506 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -0.143 57.442 -26.990 1.00 0.00 H new ATOM 1325 N PRO A 85 -3.226 57.701 -25.902 1.00 0.00 N ATOM 1326 CA PRO A 85 -4.471 58.471 -25.992 1.00 0.00 C ATOM 1327 C PRO A 85 -4.254 59.957 -25.731 1.00 0.00 C ATOM 1328 O PRO A 85 -3.135 60.393 -25.460 1.00 0.00 O ATOM 1329 CB PRO A 85 -5.346 57.858 -24.895 1.00 0.00 C ATOM 1330 CG PRO A 85 -4.380 57.288 -23.914 1.00 0.00 C ATOM 1331 CD PRO A 85 -3.197 56.826 -24.719 1.00 0.00 C ATOM 0 HA PRO A 85 -4.911 58.419 -26.988 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -5.984 58.610 -24.431 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -6.003 57.087 -25.297 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -4.084 58.036 -23.179 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -4.826 56.459 -23.364 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -2.266 56.933 -24.163 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -3.284 55.775 -24.994 1.00 0.00 H new ATOM 1339 N SER A 86 -5.331 60.732 -25.816 1.00 0.00 N ATOM 1340 CA SER A 86 -5.257 62.171 -25.593 1.00 0.00 C ATOM 1341 C SER A 86 -6.450 62.655 -24.773 1.00 0.00 C ATOM 1342 O SER A 86 -7.540 62.090 -24.849 1.00 0.00 O ATOM 1343 CB SER A 86 -5.207 62.914 -26.929 1.00 0.00 C ATOM 1344 OG SER A 86 -6.425 62.770 -27.638 1.00 0.00 O ATOM 0 H SER A 86 -6.265 60.387 -26.038 1.00 0.00 H new ATOM 0 HA SER A 86 -4.345 62.381 -25.035 1.00 0.00 H new ATOM 0 HB2 SER A 86 -5.007 63.971 -26.754 1.00 0.00 H new ATOM 0 HB3 SER A 86 -4.384 62.530 -27.532 1.00 0.00 H new ATOM 0 HG SER A 86 -6.368 63.255 -28.488 1.00 0.00 H new ATOM 1350 N SER A 87 -6.233 63.706 -23.989 1.00 0.00 N ATOM 1351 CA SER A 87 -7.287 64.266 -23.152 1.00 0.00 C ATOM 1352 C SER A 87 -6.907 65.658 -22.657 1.00 0.00 C ATOM 1353 O SER A 87 -5.741 66.048 -22.701 1.00 0.00 O ATOM 1354 CB SER A 87 -7.563 63.346 -21.960 1.00 0.00 C ATOM 1355 OG SER A 87 -8.566 63.890 -21.119 1.00 0.00 O ATOM 0 H SER A 87 -5.336 64.187 -23.916 1.00 0.00 H new ATOM 0 HA SER A 87 -8.191 64.349 -23.756 1.00 0.00 H new ATOM 0 HB2 SER A 87 -7.876 62.365 -22.318 1.00 0.00 H new ATOM 0 HB3 SER A 87 -6.646 63.199 -21.390 1.00 0.00 H new ATOM 0 HG SER A 87 -8.726 63.284 -20.366 1.00 0.00 H new ATOM 1361 N GLY A 88 -7.902 66.404 -22.185 1.00 0.00 N ATOM 1362 CA GLY A 88 -7.653 67.745 -21.689 1.00 0.00 C ATOM 1363 C GLY A 88 -8.776 68.255 -20.808 1.00 0.00 C ATOM 1364 O GLY A 88 -9.896 68.404 -21.292 1.00 0.00 O ATOM 0 H GLY A 88 -8.876 66.103 -22.137 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -6.720 67.753 -21.125 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -7.521 68.422 -22.533 1.00 0.00 H new TER 1368 GLY A 88 HETATM 1369 ZN ZN A 201 2.019 -5.185 4.079 1.00 0.00 ZN