USER MOD reduce.3.24.130724 H: found=0, std=0, add=653, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 640 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 60 CYS SG : rot 166:sc= -0.0774! USER MOD Set 1.2: A 63 CYS SG : rot -49:sc= -0.843 USER MOD Set 1.3: A 76 HIS : no HE2:sc= -8.44! C(o=-15!,f=-17!) USER MOD Set 1.4: A 80 HIS : no HE2:sc= -5.44! C(o=-15!,f=-15!) USER MOD Set 2.1: A 71 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 72 ASN : amide:sc= -0.075 K(o=-0.075,f=-2.3!) USER MOD Set 3.1: A 32 CYS SG : rot 121:sc= -1.27! USER MOD Set 3.2: A 35 CYS SG : rot -32:sc= 0.295 USER MOD Set 3.3: A 48 HIS : no HE2:sc= -2.33 K(o=-6.6,f=-9.8!) USER MOD Set 3.4: A 52 HIS : no HE2:sc= -3.31 K(o=-6.6,f=-8!) USER MOD Set 4.1: A 25 SER OG : rot -114:sc= 0.0242 USER MOD Set 4.2: A 27 THR OG1 : rot 180:sc= 0.0254 USER MOD Set 5.1: A 19 THR OG1 : rot 180:sc= 0 USER MOD Set 5.2: A 41 GLN : amide:sc= -1.34 K(o=-1.3,f=-3.3!) USER MOD Set 6.1: A 4 CYS SG : rot 150:sc= 1.45 USER MOD Set 6.2: A 7 CYS SG : rot -46:sc= -0.345 USER MOD Set 6.3: A 9 LYS NZ :NH3+ -177:sc= 0.0627 (180deg=0) USER MOD Set 6.4: A 20 HIS : no HE2:sc= -4.4! C(o=-6.2!,f=-8.5!) USER MOD Set 6.5: A 24 HIS : no HE2:sc= -3 K(o=-6.2,f=-8!) USER MOD Single : A 5 LYS NZ :NH3+ -166:sc= -0.09 (180deg=-0.559) USER MOD Single : A 10 SER OG : rot 99:sc= 0.654 USER MOD Single : A 12 LYS NZ :NH3+ 161:sc= -0.0389 (180deg=-0.353) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0.0404 USER MOD Single : A 16 THR OG1 : rot -100:sc= -1.72 USER MOD Single : A 18 SER OG : rot 76:sc= 1.1 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 GLN :FLIP amide:sc= -2.61! C(o=-4.6!,f=-2.6!) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ -160:sc= -0.242 (180deg=-0.994) USER MOD Single : A 40 HIS : no HD1:sc= -1.54! C(o=-1.5!,f=-10!) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0.0268 USER MOD Single : A 45 MET CE :methyl -155:sc= -0.0191 (180deg=-0.132) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ -174:sc= -0.0826 (180deg=-0.174) USER MOD Single : A 49 THR OG1 : rot -7:sc= -4.36! USER MOD Single : A 53 THR OG1 : rot -3:sc= -1.83! USER MOD Single : A 56 LYS NZ :NH3+ 164:sc= -0.245 (180deg=-0.62) USER MOD Single : A 58 HIS : no HD1:sc= -0.612 K(o=-0.61,f=-1.2) USER MOD Single : A 59 LYS NZ :NH3+ 163:sc= -0.039 (180deg=-0.394) USER MOD Single : A 61 GLN : amide:sc=-0.00507 K(o=-0.0051,f=-1.5!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 180:sc= -1.81! USER MOD Single : A 69 GLN : amide:sc=-0.00846 K(o=-0.0085,f=-2.2!) USER MOD Single : A 70 SER OG : rot 180:sc= -0.358 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot 180:sc= -0.347 USER MOD ----------------------------------------------------------------- ATOM 14 N PHE A 2 -11.668 -6.393 37.442 1.00 70.07 N ATOM 15 CA PHE A 2 -12.617 -5.251 37.250 1.00 70.07 C ATOM 16 C PHE A 2 -13.367 -5.439 35.934 1.00 70.07 C ATOM 17 O PHE A 2 -12.779 -5.611 34.885 1.00 70.07 O ATOM 18 CB PHE A 2 -11.843 -3.934 37.224 1.00 70.07 C ATOM 19 CG PHE A 2 -10.698 -4.015 38.203 1.00 70.07 C ATOM 20 CD1 PHE A 2 -10.904 -3.703 39.551 1.00 70.07 C ATOM 21 CD2 PHE A 2 -9.434 -4.414 37.763 1.00 70.07 C ATOM 22 CE1 PHE A 2 -9.842 -3.787 40.458 1.00 70.07 C ATOM 23 CE2 PHE A 2 -8.373 -4.502 38.668 1.00 70.07 C ATOM 24 CZ PHE A 2 -8.576 -4.187 40.016 1.00 70.07 C ATOM 0 HA PHE A 2 -13.330 -5.225 38.074 1.00 70.07 H new ATOM 0 HB2 PHE A 2 -11.466 -3.739 36.220 1.00 70.07 H new ATOM 0 HB3 PHE A 2 -12.502 -3.105 37.484 1.00 70.07 H new ATOM 0 HD1 PHE A 2 -11.882 -3.397 39.891 1.00 70.07 H new ATOM 0 HD2 PHE A 2 -9.276 -4.655 36.722 1.00 70.07 H new ATOM 0 HE1 PHE A 2 -9.999 -3.543 41.498 1.00 70.07 H new ATOM 0 HE2 PHE A 2 -7.397 -4.813 38.327 1.00 70.07 H new ATOM 0 HZ PHE A 2 -7.756 -4.253 40.715 1.00 70.07 H new ATOM 34 N ASP A 3 -14.674 -5.434 35.997 1.00 83.59 N ATOM 35 CA ASP A 3 -15.481 -5.639 34.766 1.00 83.59 C ATOM 36 C ASP A 3 -16.127 -4.328 34.314 1.00 83.59 C ATOM 37 O ASP A 3 -16.600 -3.533 35.101 1.00 83.59 O ATOM 38 CB ASP A 3 -16.551 -6.701 35.019 1.00 83.59 C ATOM 39 CG ASP A 3 -16.342 -7.861 34.043 1.00 83.59 C ATOM 40 OD1 ASP A 3 -16.835 -7.767 32.932 1.00 83.59 O ATOM 41 OD2 ASP A 3 -15.683 -8.818 34.419 1.00 83.59 O ATOM 0 H ASP A 3 -15.214 -5.296 36.851 1.00 83.59 H new ATOM 0 HA ASP A 3 -14.820 -5.981 33.969 1.00 83.59 H new ATOM 0 HB2 ASP A 3 -16.491 -7.058 36.047 1.00 83.59 H new ATOM 0 HB3 ASP A 3 -17.545 -6.273 34.888 1.00 83.59 H new ATOM 46 N CYS A 4 -16.128 -4.116 33.029 1.00 50.89 N ATOM 47 CA CYS A 4 -16.707 -2.868 32.451 1.00 50.89 C ATOM 48 C CYS A 4 -18.238 -2.893 32.538 1.00 50.89 C ATOM 49 O CYS A 4 -18.887 -3.864 32.203 1.00 50.89 O ATOM 50 CB CYS A 4 -16.268 -2.746 30.992 1.00 50.89 C ATOM 51 SG CYS A 4 -17.456 -1.742 30.067 1.00 50.89 S ATOM 0 H CYS A 4 -15.746 -4.765 32.341 1.00 50.89 H new ATOM 0 HA CYS A 4 -16.348 -2.009 33.018 1.00 50.89 H new ATOM 0 HB2 CYS A 4 -15.278 -2.293 30.939 1.00 50.89 H new ATOM 0 HB3 CYS A 4 -16.190 -3.736 30.544 1.00 50.89 H new ATOM 0 HG CYS A 4 -16.843 -1.125 29.100 1.00 50.89 H new ATOM 56 N LYS A 5 -18.798 -1.837 33.042 1.00 99.16 N ATOM 57 CA LYS A 5 -20.270 -1.765 33.218 1.00 99.16 C ATOM 58 C LYS A 5 -20.900 -1.106 31.976 1.00 99.16 C ATOM 59 O LYS A 5 -21.976 -0.544 32.050 1.00 99.16 O ATOM 60 CB LYS A 5 -20.566 -0.926 34.473 1.00 99.16 C ATOM 61 CG LYS A 5 -19.690 -1.416 35.640 1.00 99.16 C ATOM 62 CD LYS A 5 -20.087 -0.699 36.937 1.00 99.16 C ATOM 63 CE LYS A 5 -19.059 -0.995 38.038 1.00 99.16 C ATOM 64 NZ LYS A 5 -18.548 -2.390 37.900 1.00 99.16 N ATOM 0 H LYS A 5 -18.290 -1.006 33.345 1.00 99.16 H new ATOM 0 HA LYS A 5 -20.692 -2.763 33.336 1.00 99.16 H new ATOM 0 HB2 LYS A 5 -20.368 0.127 34.274 1.00 99.16 H new ATOM 0 HB3 LYS A 5 -21.620 -1.008 34.737 1.00 99.16 H new ATOM 0 HG2 LYS A 5 -19.803 -2.493 35.762 1.00 99.16 H new ATOM 0 HG3 LYS A 5 -18.639 -1.229 35.419 1.00 99.16 H new ATOM 0 HD2 LYS A 5 -20.147 0.376 36.764 1.00 99.16 H new ATOM 0 HD3 LYS A 5 -21.077 -1.027 37.255 1.00 99.16 H new ATOM 0 HE2 LYS A 5 -18.232 -0.288 37.974 1.00 99.16 H new ATOM 0 HE3 LYS A 5 -19.516 -0.862 39.019 1.00 99.16 H new ATOM 0 HZ1 LYS A 5 -18.044 -2.662 38.768 1.00 99.16 H new ATOM 0 HZ2 LYS A 5 -19.346 -3.038 37.745 1.00 99.16 H new ATOM 0 HZ3 LYS A 5 -17.897 -2.443 37.091 1.00 99.16 H new ATOM 78 N ILE A 6 -20.224 -1.140 30.838 1.00112.28 N ATOM 79 CA ILE A 6 -20.787 -0.475 29.615 1.00112.28 C ATOM 80 C ILE A 6 -20.932 -1.422 28.410 1.00112.28 C ATOM 81 O ILE A 6 -22.002 -1.537 27.850 1.00112.28 O ATOM 82 CB ILE A 6 -19.873 0.681 29.202 1.00112.28 C ATOM 83 CG1 ILE A 6 -19.566 1.585 30.420 1.00112.28 C ATOM 84 CG2 ILE A 6 -20.558 1.497 28.090 1.00112.28 C ATOM 85 CD1 ILE A 6 -20.596 2.713 30.536 1.00112.28 C ATOM 0 H ILE A 6 -19.320 -1.594 30.710 1.00112.28 H new ATOM 0 HA ILE A 6 -21.785 -0.131 29.886 1.00112.28 H new ATOM 0 HB ILE A 6 -18.931 0.280 28.828 1.00112.28 H new ATOM 0 HG12 ILE A 6 -19.570 0.988 31.332 1.00112.28 H new ATOM 0 HG13 ILE A 6 -18.566 2.008 30.321 1.00112.28 H new ATOM 0 HG21 ILE A 6 -19.910 2.322 27.793 1.00112.28 H new ATOM 0 HG22 ILE A 6 -20.745 0.854 27.230 1.00112.28 H new ATOM 0 HG23 ILE A 6 -21.504 1.893 28.460 1.00112.28 H new ATOM 0 HD11 ILE A 6 -20.359 3.335 31.399 1.00112.28 H new ATOM 0 HD12 ILE A 6 -20.572 3.322 29.632 1.00112.28 H new ATOM 0 HD13 ILE A 6 -21.591 2.286 30.659 1.00112.28 H new ATOM 97 N CYS A 7 -19.868 -2.036 27.953 1.00 82.08 N ATOM 98 CA CYS A 7 -19.984 -2.903 26.729 1.00 82.08 C ATOM 99 C CYS A 7 -19.980 -4.386 27.118 1.00 82.08 C ATOM 100 O CYS A 7 -20.718 -5.178 26.560 1.00 82.08 O ATOM 101 CB CYS A 7 -18.832 -2.597 25.766 1.00 82.08 C ATOM 102 SG CYS A 7 -17.251 -3.041 26.517 1.00 82.08 S ATOM 0 H CYS A 7 -18.936 -1.979 28.364 1.00 82.08 H new ATOM 0 HA CYS A 7 -20.929 -2.686 26.230 1.00 82.08 H new ATOM 0 HB2 CYS A 7 -18.969 -3.151 24.837 1.00 82.08 H new ATOM 0 HB3 CYS A 7 -18.835 -1.538 25.509 1.00 82.08 H new ATOM 0 HG CYS A 7 -17.209 -2.594 27.737 1.00 82.08 H new ATOM 107 N GLY A 8 -19.184 -4.767 28.090 1.00195.93 N ATOM 108 CA GLY A 8 -19.176 -6.204 28.542 1.00195.93 C ATOM 109 C GLY A 8 -17.765 -6.817 28.703 1.00195.93 C ATOM 110 O GLY A 8 -17.662 -8.016 28.817 1.00195.93 O ATOM 0 H GLY A 8 -18.542 -4.152 28.590 1.00195.93 H new ATOM 0 HA2 GLY A 8 -19.700 -6.275 29.495 1.00195.93 H new ATOM 0 HA3 GLY A 8 -19.738 -6.801 27.824 1.00195.93 H new ATOM 114 N LYS A 9 -16.689 -6.057 28.717 1.00114.22 N ATOM 115 CA LYS A 9 -15.329 -6.711 28.859 1.00114.22 C ATOM 116 C LYS A 9 -14.710 -6.567 30.273 1.00114.22 C ATOM 117 O LYS A 9 -15.164 -5.799 31.105 1.00114.22 O ATOM 118 CB LYS A 9 -14.366 -6.118 27.844 1.00114.22 C ATOM 119 CG LYS A 9 -14.993 -6.167 26.455 1.00114.22 C ATOM 120 CD LYS A 9 -13.949 -5.680 25.450 1.00114.22 C ATOM 121 CE LYS A 9 -14.560 -5.547 24.054 1.00114.22 C ATOM 122 NZ LYS A 9 -14.950 -4.127 23.816 1.00114.22 N ATOM 0 H LYS A 9 -16.684 -5.040 28.639 1.00114.22 H new ATOM 0 HA LYS A 9 -15.487 -7.775 28.684 1.00114.22 H new ATOM 0 HB2 LYS A 9 -14.129 -5.088 28.111 1.00114.22 H new ATOM 0 HB3 LYS A 9 -13.428 -6.673 27.850 1.00114.22 H new ATOM 0 HG2 LYS A 9 -15.309 -7.182 26.215 1.00114.22 H new ATOM 0 HG3 LYS A 9 -15.883 -5.538 26.416 1.00114.22 H new ATOM 0 HD2 LYS A 9 -13.550 -4.718 25.771 1.00114.22 H new ATOM 0 HD3 LYS A 9 -13.112 -6.378 25.421 1.00114.22 H new ATOM 0 HE2 LYS A 9 -13.843 -5.870 23.299 1.00114.22 H new ATOM 0 HE3 LYS A 9 -15.432 -6.195 23.964 1.00114.22 H new ATOM 0 HZ1 LYS A 9 -15.412 -4.045 22.888 1.00114.22 H new ATOM 0 HZ2 LYS A 9 -15.609 -3.819 24.559 1.00114.22 H new ATOM 0 HZ3 LYS A 9 -14.101 -3.526 23.835 1.00114.22 H new ATOM 136 N SER A 10 -13.698 -7.380 30.551 1.00 78.05 N ATOM 137 CA SER A 10 -13.059 -7.395 31.920 1.00 78.05 C ATOM 138 C SER A 10 -11.570 -6.976 31.902 1.00 78.05 C ATOM 139 O SER A 10 -10.888 -7.020 30.890 1.00 78.05 O ATOM 140 CB SER A 10 -13.171 -8.815 32.494 0.50 78.05 C ATOM 141 OG SER A 10 -12.884 -8.794 33.884 1.00 78.05 O ATOM 0 H SER A 10 -13.289 -8.034 29.884 1.00 78.05 H new ATOM 0 HA SER A 10 -13.587 -6.667 32.535 1.00 78.05 H new ATOM 0 HB2 SER A 10 -14.174 -9.207 32.326 0.50 78.05 H new ATOM 0 HB3 SER A 10 -12.478 -9.481 31.980 0.50 78.05 H new ATOM 0 HG SER A 10 -13.723 -8.795 34.391 1.00 78.05 H new ATOM 147 N PHE A 11 -11.077 -6.575 33.065 1.00 54.66 N ATOM 148 CA PHE A 11 -9.646 -6.144 33.211 1.00 54.66 C ATOM 149 C PHE A 11 -9.061 -6.665 34.537 1.00 54.66 C ATOM 150 O PHE A 11 -9.616 -6.452 35.588 1.00 54.66 O ATOM 151 CB PHE A 11 -9.589 -4.620 33.182 1.00 54.66 C ATOM 152 CG PHE A 11 -10.312 -4.169 31.943 1.00 54.66 C ATOM 153 CD1 PHE A 11 -11.701 -4.011 31.963 1.00 54.66 C ATOM 154 CD2 PHE A 11 -9.601 -3.976 30.758 1.00 54.66 C ATOM 155 CE1 PHE A 11 -12.375 -3.657 30.799 1.00 54.66 C ATOM 156 CE2 PHE A 11 -10.279 -3.637 29.586 1.00 54.66 C ATOM 157 CZ PHE A 11 -11.667 -3.477 29.608 1.00 54.66 C ATOM 0 H PHE A 11 -11.620 -6.530 33.927 1.00 54.66 H new ATOM 0 HA PHE A 11 -9.057 -6.555 32.392 1.00 54.66 H new ATOM 0 HB2 PHE A 11 -10.056 -4.201 34.073 1.00 54.66 H new ATOM 0 HB3 PHE A 11 -8.555 -4.274 33.171 1.00 54.66 H new ATOM 0 HD1 PHE A 11 -12.250 -4.164 32.881 1.00 54.66 H new ATOM 0 HD2 PHE A 11 -8.527 -4.089 30.748 1.00 54.66 H new ATOM 0 HE1 PHE A 11 -13.446 -3.521 30.816 1.00 54.66 H new ATOM 0 HE2 PHE A 11 -9.732 -3.499 28.665 1.00 54.66 H new ATOM 0 HZ PHE A 11 -12.194 -3.214 28.703 1.00 54.66 H new ATOM 167 N LYS A 12 -7.934 -7.327 34.482 1.00101.13 N ATOM 168 CA LYS A 12 -7.310 -7.841 35.740 1.00101.13 C ATOM 169 C LYS A 12 -6.725 -6.665 36.530 1.00101.13 C ATOM 170 O LYS A 12 -6.493 -6.727 37.723 1.00101.13 O ATOM 171 CB LYS A 12 -6.140 -8.762 35.387 1.00101.13 C ATOM 172 CG LYS A 12 -6.554 -9.776 34.318 1.00101.13 C ATOM 173 CD LYS A 12 -5.316 -10.555 33.871 1.00101.13 C ATOM 174 CE LYS A 12 -5.706 -11.529 32.761 1.00101.13 C ATOM 175 NZ LYS A 12 -6.038 -10.765 31.523 1.00101.13 N ATOM 0 H LYS A 12 -7.420 -7.534 33.625 1.00101.13 H new ATOM 0 HA LYS A 12 -8.067 -8.370 36.318 1.00101.13 H new ATOM 0 HB2 LYS A 12 -5.300 -8.169 35.027 1.00101.13 H new ATOM 0 HB3 LYS A 12 -5.801 -9.286 36.281 1.00101.13 H new ATOM 0 HG2 LYS A 12 -7.306 -10.458 34.716 1.00101.13 H new ATOM 0 HG3 LYS A 12 -7.005 -9.265 33.468 1.00101.13 H new ATOM 0 HD2 LYS A 12 -4.549 -9.868 33.514 1.00101.13 H new ATOM 0 HD3 LYS A 12 -4.890 -11.098 34.714 1.00101.13 H new ATOM 0 HE2 LYS A 12 -4.887 -12.221 32.565 1.00101.13 H new ATOM 0 HE3 LYS A 12 -6.562 -12.128 33.072 1.00101.13 H new ATOM 0 HZ1 LYS A 12 -5.988 -11.399 30.700 1.00101.13 H new ATOM 0 HZ2 LYS A 12 -6.999 -10.376 31.603 1.00101.13 H new ATOM 0 HZ3 LYS A 12 -5.358 -9.987 31.402 1.00101.13 H new ATOM 189 N ARG A 13 -6.435 -5.603 35.806 1.00 74.89 N ATOM 190 CA ARG A 13 -5.803 -4.389 36.398 1.00 74.89 C ATOM 191 C ARG A 13 -6.722 -3.174 36.219 1.00 74.89 C ATOM 192 O ARG A 13 -6.984 -2.750 35.103 1.00 74.89 O ATOM 193 CB ARG A 13 -4.493 -4.104 35.640 1.00 74.89 C ATOM 194 CG ARG A 13 -3.628 -5.375 35.566 1.00 74.89 C ATOM 195 CD ARG A 13 -3.641 -5.922 34.133 1.00 74.89 C ATOM 196 NE ARG A 13 -5.054 -6.059 33.672 1.00 74.89 N ATOM 197 CZ ARG A 13 -5.389 -5.769 32.440 1.00 74.89 C ATOM 198 NH1 ARG A 13 -4.495 -5.335 31.591 1.00 74.89 N ATOM 199 NH2 ARG A 13 -6.628 -5.910 32.058 1.00 74.89 N ATOM 0 H ARG A 13 -6.618 -5.533 34.805 1.00 74.89 H new ATOM 0 HA ARG A 13 -5.621 -4.561 37.459 1.00 74.89 H new ATOM 0 HB2 ARG A 13 -4.717 -3.750 34.634 1.00 74.89 H new ATOM 0 HB3 ARG A 13 -3.941 -3.309 36.142 1.00 74.89 H new ATOM 0 HG2 ARG A 13 -2.606 -5.150 35.871 1.00 74.89 H new ATOM 0 HG3 ARG A 13 -4.009 -6.127 36.257 1.00 74.89 H new ATOM 0 HD2 ARG A 13 -3.093 -5.252 33.470 1.00 74.89 H new ATOM 0 HD3 ARG A 13 -3.138 -6.889 34.095 1.00 74.89 H new ATOM 0 HE ARG A 13 -5.768 -6.383 34.325 1.00 74.89 H new ATOM 0 HH11 ARG A 13 -3.525 -5.219 31.886 1.00 74.89 H new ATOM 0 HH12 ARG A 13 -4.767 -5.112 30.634 1.00 74.89 H new ATOM 0 HH21 ARG A 13 -7.330 -6.245 32.718 1.00 74.89 H new ATOM 0 HH22 ARG A 13 -6.895 -5.686 31.099 1.00 74.89 H new ATOM 213 N SER A 14 -7.213 -2.606 37.274 1.00 25.87 N ATOM 214 CA SER A 14 -8.101 -1.427 37.094 1.00 25.87 C ATOM 215 C SER A 14 -7.418 -0.415 36.167 1.00 25.87 C ATOM 216 O SER A 14 -8.066 0.280 35.442 1.00 25.87 O ATOM 217 CB SER A 14 -8.408 -0.759 38.431 1.00 25.87 C ATOM 218 OG SER A 14 -9.687 -0.142 38.338 1.00 25.87 O ATOM 0 H SER A 14 -7.045 -2.896 38.237 1.00 25.87 H new ATOM 0 HA SER A 14 -9.039 -1.767 36.656 1.00 25.87 H new ATOM 0 HB2 SER A 14 -8.399 -1.495 39.235 1.00 25.87 H new ATOM 0 HB3 SER A 14 -7.645 -0.018 38.669 1.00 25.87 H new ATOM 0 HG SER A 14 -9.903 0.292 39.189 1.00 25.87 H new ATOM 224 N SER A 15 -6.115 -0.295 36.205 1.00 23.45 N ATOM 225 CA SER A 15 -5.456 0.721 35.318 1.00 23.45 C ATOM 226 C SER A 15 -5.850 0.454 33.863 1.00 23.45 C ATOM 227 O SER A 15 -6.125 1.371 33.100 1.00 23.45 O ATOM 228 CB SER A 15 -3.939 0.657 35.480 1.00 23.45 C ATOM 229 OG SER A 15 -3.559 -0.684 35.752 1.00 23.45 O ATOM 0 H SER A 15 -5.488 -0.841 36.796 1.00 23.45 H new ATOM 0 HA SER A 15 -5.788 1.720 35.601 1.00 23.45 H new ATOM 0 HB2 SER A 15 -3.448 1.011 34.573 1.00 23.45 H new ATOM 0 HB3 SER A 15 -3.619 1.311 36.291 1.00 23.45 H new ATOM 0 HG SER A 15 -2.586 -0.734 35.856 1.00 23.45 H new ATOM 235 N THR A 16 -5.908 -0.794 33.480 1.00 32.27 N ATOM 236 CA THR A 16 -6.313 -1.135 32.098 1.00 32.27 C ATOM 237 C THR A 16 -7.813 -0.888 31.961 1.00 32.27 C ATOM 238 O THR A 16 -8.288 -0.485 30.917 1.00 32.27 O ATOM 239 CB THR A 16 -6.007 -2.598 31.829 1.00 32.27 C ATOM 240 OG1 THR A 16 -4.666 -2.869 32.198 1.00 32.27 O ATOM 241 CG2 THR A 16 -6.196 -2.864 30.347 1.00 32.27 C ATOM 0 H THR A 16 -5.689 -1.593 34.075 1.00 32.27 H new ATOM 0 HA THR A 16 -5.767 -0.521 31.381 1.00 32.27 H new ATOM 0 HB THR A 16 -6.673 -3.238 32.408 1.00 32.27 H new ATOM 0 HG1 THR A 16 -4.101 -2.874 31.397 1.00 32.27 H new ATOM 0 HG21 THR A 16 -5.980 -3.911 30.135 1.00 32.27 H new ATOM 0 HG22 THR A 16 -7.225 -2.641 30.066 1.00 32.27 H new ATOM 0 HG23 THR A 16 -5.518 -2.231 29.774 1.00 32.27 H new ATOM 249 N LEU A 17 -8.566 -1.074 33.014 1.00 97.78 N ATOM 250 CA LEU A 17 -10.031 -0.791 32.914 1.00 97.78 C ATOM 251 C LEU A 17 -10.174 0.727 32.866 1.00 97.78 C ATOM 252 O LEU A 17 -10.892 1.269 32.066 1.00 97.78 O ATOM 253 CB LEU A 17 -10.769 -1.365 34.125 1.00 97.78 C ATOM 254 CG LEU A 17 -12.121 -0.666 34.352 1.00 97.78 C ATOM 255 CD1 LEU A 17 -13.087 -1.000 33.215 1.00 97.78 C ATOM 256 CD2 LEU A 17 -12.718 -1.160 35.670 1.00 97.78 C ATOM 0 H LEU A 17 -8.240 -1.403 33.923 1.00 97.78 H new ATOM 0 HA LEU A 17 -10.464 -1.253 32.027 1.00 97.78 H new ATOM 0 HB2 LEU A 17 -10.931 -2.433 33.979 1.00 97.78 H new ATOM 0 HB3 LEU A 17 -10.149 -1.255 35.015 1.00 97.78 H new ATOM 0 HG LEU A 17 -11.965 0.412 34.384 1.00 97.78 H new ATOM 0 HD11 LEU A 17 -14.040 -0.499 33.388 1.00 97.78 H new ATOM 0 HD12 LEU A 17 -12.666 -0.662 32.268 1.00 97.78 H new ATOM 0 HD13 LEU A 17 -13.245 -2.078 33.177 1.00 97.78 H new ATOM 0 HD21 LEU A 17 -13.677 -0.671 35.841 1.00 97.78 H new ATOM 0 HD22 LEU A 17 -12.865 -2.239 35.621 1.00 97.78 H new ATOM 0 HD23 LEU A 17 -12.039 -0.923 36.489 1.00 97.78 H new ATOM 268 N SER A 18 -9.464 1.412 33.717 1.00 34.23 N ATOM 269 CA SER A 18 -9.498 2.895 33.734 1.00 34.23 C ATOM 270 C SER A 18 -9.417 3.380 32.293 1.00 34.23 C ATOM 271 O SER A 18 -10.265 4.109 31.825 1.00 34.23 O ATOM 272 CB SER A 18 -8.275 3.390 34.512 0.50 34.23 C ATOM 273 OG SER A 18 -8.298 2.834 35.823 1.00 34.23 O ATOM 0 H SER A 18 -8.849 0.994 34.415 1.00 34.23 H new ATOM 0 HA SER A 18 -10.409 3.268 34.203 1.00 34.23 H new ATOM 0 HB2 SER A 18 -7.359 3.100 33.997 0.50 34.23 H new ATOM 0 HB3 SER A 18 -8.279 4.479 34.566 0.50 34.23 H new ATOM 0 HG SER A 18 -8.027 1.893 35.784 1.00 34.23 H new ATOM 279 N THR A 19 -8.415 2.937 31.579 1.00 30.69 N ATOM 280 CA THR A 19 -8.273 3.324 30.147 1.00 30.69 C ATOM 281 C THR A 19 -9.506 2.864 29.385 1.00 30.69 C ATOM 282 O THR A 19 -10.055 3.572 28.564 1.00 30.69 O ATOM 283 CB THR A 19 -7.062 2.606 29.568 1.00 30.69 C ATOM 284 OG1 THR A 19 -5.943 2.836 30.403 1.00 30.69 O ATOM 285 CG2 THR A 19 -6.786 3.128 28.158 1.00 30.69 C ATOM 0 H THR A 19 -7.684 2.319 31.931 1.00 30.69 H new ATOM 0 HA THR A 19 -8.157 4.405 30.064 1.00 30.69 H new ATOM 0 HB THR A 19 -7.255 1.535 29.515 1.00 30.69 H new ATOM 0 HG1 THR A 19 -5.160 2.374 30.036 1.00 30.69 H new ATOM 0 HG21 THR A 19 -5.919 2.614 27.743 1.00 30.69 H new ATOM 0 HG22 THR A 19 -7.654 2.944 27.525 1.00 30.69 H new ATOM 0 HG23 THR A 19 -6.588 4.199 28.199 1.00 30.69 H new ATOM 293 N HIS A 20 -9.961 1.693 29.684 1.00 81.83 N ATOM 294 CA HIS A 20 -11.166 1.176 29.000 1.00 81.83 C ATOM 295 C HIS A 20 -12.358 2.089 29.347 1.00 81.83 C ATOM 296 O HIS A 20 -13.232 2.377 28.525 1.00 81.83 O ATOM 297 CB HIS A 20 -11.400 -0.258 29.465 1.00 81.83 C ATOM 298 CG HIS A 20 -12.597 -0.799 28.771 1.00 81.83 C ATOM 299 ND1 HIS A 20 -12.523 -1.482 27.547 1.00 81.83 N ATOM 300 CD2 HIS A 20 -13.922 -0.699 29.069 1.00 81.83 C ATOM 301 CE1 HIS A 20 -13.785 -1.748 27.160 1.00 81.83 C ATOM 302 NE2 HIS A 20 -14.637 -1.289 28.059 1.00 81.83 N ATOM 0 H HIS A 20 -9.550 1.066 30.376 1.00 81.83 H new ATOM 0 HA HIS A 20 -11.044 1.174 27.917 1.00 81.83 H new ATOM 0 HB2 HIS A 20 -10.527 -0.873 29.246 1.00 81.83 H new ATOM 0 HB3 HIS A 20 -11.546 -0.285 30.545 1.00 81.83 H new ATOM 0 HD1 HIS A 20 -11.671 -1.731 27.044 1.00 81.83 H new ATOM 0 HD2 HIS A 20 -14.338 -0.234 29.950 1.00 81.83 H new ATOM 0 HE1 HIS A 20 -14.060 -2.260 26.250 1.00 81.83 H new ATOM 310 N LEU A 21 -12.382 2.584 30.554 1.00156.93 N ATOM 311 CA LEU A 21 -13.476 3.491 30.946 1.00156.93 C ATOM 312 C LEU A 21 -13.240 4.785 30.192 1.00156.93 C ATOM 313 O LEU A 21 -14.153 5.457 29.753 1.00156.93 O ATOM 314 CB LEU A 21 -13.435 3.740 32.455 1.00156.93 C ATOM 315 CG LEU A 21 -14.014 2.513 33.177 1.00156.93 C ATOM 316 CD1 LEU A 21 -13.678 2.578 34.668 1.00156.93 C ATOM 317 CD2 LEU A 21 -15.545 2.469 32.997 1.00156.93 C ATOM 0 H LEU A 21 -11.689 2.395 31.278 1.00156.93 H new ATOM 0 HA LEU A 21 -14.452 3.068 30.710 1.00156.93 H new ATOM 0 HB2 LEU A 21 -12.410 3.920 32.780 1.00156.93 H new ATOM 0 HB3 LEU A 21 -14.010 4.631 32.706 1.00156.93 H new ATOM 0 HG LEU A 21 -13.575 1.613 32.747 1.00156.93 H new ATOM 0 HD11 LEU A 21 -14.092 1.705 35.173 1.00156.93 H new ATOM 0 HD12 LEU A 21 -12.596 2.592 34.797 1.00156.93 H new ATOM 0 HD13 LEU A 21 -14.107 3.483 35.098 1.00156.93 H new ATOM 0 HD21 LEU A 21 -15.947 1.596 33.512 1.00156.93 H new ATOM 0 HD22 LEU A 21 -15.987 3.373 33.416 1.00156.93 H new ATOM 0 HD23 LEU A 21 -15.785 2.406 31.936 1.00156.93 H new ATOM 329 N LEU A 22 -11.980 5.112 30.014 1.00 64.07 N ATOM 330 CA LEU A 22 -11.629 6.327 29.254 1.00 64.07 C ATOM 331 C LEU A 22 -12.087 6.106 27.809 1.00 64.07 C ATOM 332 O LEU A 22 -12.290 7.055 27.083 1.00 64.07 O ATOM 333 CB LEU A 22 -10.112 6.608 29.324 1.00 64.07 C ATOM 334 CG LEU A 22 -9.677 6.837 30.782 1.00 64.07 C ATOM 335 CD1 LEU A 22 -8.263 7.419 30.814 1.00 64.07 C ATOM 336 CD2 LEU A 22 -10.632 7.812 31.489 1.00 64.07 C ATOM 0 H LEU A 22 -11.186 4.579 30.369 1.00 64.07 H new ATOM 0 HA LEU A 22 -12.124 7.200 29.679 1.00 64.07 H new ATOM 0 HB2 LEU A 22 -9.560 5.769 28.900 1.00 64.07 H new ATOM 0 HB3 LEU A 22 -9.870 7.485 28.723 1.00 64.07 H new ATOM 0 HG LEU A 22 -9.700 5.878 31.299 1.00 64.07 H new ATOM 0 HD11 LEU A 22 -7.959 7.580 31.848 1.00 64.07 H new ATOM 0 HD12 LEU A 22 -7.572 6.724 30.337 1.00 64.07 H new ATOM 0 HD13 LEU A 22 -8.248 8.369 30.280 1.00 64.07 H new ATOM 0 HD21 LEU A 22 -10.305 7.959 32.518 1.00 64.07 H new ATOM 0 HD22 LEU A 22 -10.628 8.769 30.967 1.00 64.07 H new ATOM 0 HD23 LEU A 22 -11.641 7.401 31.484 1.00 64.07 H new ATOM 348 N ILE A 23 -12.270 4.863 27.374 1.00150.10 N ATOM 349 CA ILE A 23 -12.752 4.620 25.979 1.00150.10 C ATOM 350 C ILE A 23 -14.238 4.945 25.897 1.00150.10 C ATOM 351 O ILE A 23 -14.690 5.546 24.945 1.00150.10 O ATOM 352 CB ILE A 23 -12.574 3.150 25.592 1.00150.10 C ATOM 353 CG1 ILE A 23 -11.085 2.815 25.530 1.00150.10 C ATOM 354 CG2 ILE A 23 -13.210 2.907 24.210 1.00150.10 C ATOM 355 CD1 ILE A 23 -10.913 1.325 25.241 1.00150.10 C ATOM 0 H ILE A 23 -12.105 4.023 27.928 1.00150.10 H new ATOM 0 HA ILE A 23 -12.173 5.250 25.304 1.00150.10 H new ATOM 0 HB ILE A 23 -13.058 2.517 26.335 1.00150.10 H new ATOM 0 HG12 ILE A 23 -10.600 3.406 24.753 1.00150.10 H new ATOM 0 HG13 ILE A 23 -10.603 3.072 26.473 1.00150.10 H new ATOM 0 HG21 ILE A 23 -13.085 1.861 23.931 1.00150.10 H new ATOM 0 HG22 ILE A 23 -14.272 3.147 24.251 1.00150.10 H new ATOM 0 HG23 ILE A 23 -12.723 3.541 23.469 1.00150.10 H new ATOM 0 HD11 ILE A 23 -9.851 1.083 25.196 1.00150.10 H new ATOM 0 HD12 ILE A 23 -11.384 0.744 26.034 1.00150.10 H new ATOM 0 HD13 ILE A 23 -11.381 1.083 24.287 1.00150.10 H new ATOM 367 N HIS A 24 -15.021 4.578 26.889 1.00 55.94 N ATOM 368 CA HIS A 24 -16.481 4.929 26.804 1.00 55.94 C ATOM 369 C HIS A 24 -16.651 6.414 27.118 1.00 55.94 C ATOM 370 O HIS A 24 -17.572 7.052 26.645 1.00 55.94 O ATOM 371 CB HIS A 24 -17.326 4.137 27.808 1.00 55.94 C ATOM 372 CG HIS A 24 -17.331 2.680 27.440 1.00 55.94 C ATOM 373 ND1 HIS A 24 -17.800 2.190 26.205 1.00 55.94 N ATOM 374 CD2 HIS A 24 -16.906 1.590 28.136 1.00 55.94 C ATOM 375 CE1 HIS A 24 -17.631 0.843 26.215 1.00 55.94 C ATOM 376 NE2 HIS A 24 -17.101 0.465 27.369 1.00 55.94 N ATOM 0 H HIS A 24 -14.729 4.070 27.724 1.00 55.94 H new ATOM 0 HA HIS A 24 -16.819 4.685 25.797 1.00 55.94 H new ATOM 0 HB2 HIS A 24 -16.925 4.265 28.814 1.00 55.94 H new ATOM 0 HB3 HIS A 24 -18.346 4.521 27.820 1.00 55.94 H new ATOM 0 HD1 HIS A 24 -18.193 2.744 25.445 1.00 55.94 H new ATOM 0 HD2 HIS A 24 -16.484 1.606 29.130 1.00 55.94 H new ATOM 0 HE1 HIS A 24 -17.890 0.179 25.404 1.00 55.94 H new ATOM 384 N SER A 25 -15.761 6.979 27.902 1.00 89.10 N ATOM 385 CA SER A 25 -15.870 8.426 28.244 1.00 89.10 C ATOM 386 C SER A 25 -15.165 9.241 27.158 1.00 89.10 C ATOM 387 O SER A 25 -15.460 10.398 26.932 1.00 89.10 O ATOM 388 CB SER A 25 -15.176 8.680 29.583 1.00 89.10 C ATOM 389 OG SER A 25 -15.499 9.983 30.047 1.00 89.10 O ATOM 0 H SER A 25 -14.965 6.496 28.318 1.00 89.10 H new ATOM 0 HA SER A 25 -16.919 8.715 28.312 1.00 89.10 H new ATOM 0 HB2 SER A 25 -15.490 7.935 30.314 1.00 89.10 H new ATOM 0 HB3 SER A 25 -14.097 8.581 29.469 1.00 89.10 H new ATOM 0 HG SER A 25 -14.689 10.535 30.061 1.00 89.10 H new ATOM 395 N ASP A 26 -14.227 8.646 26.502 1.00 62.89 N ATOM 396 CA ASP A 26 -13.466 9.347 25.432 1.00 62.89 C ATOM 397 C ASP A 26 -12.664 10.503 26.045 1.00 62.89 C ATOM 398 O ASP A 26 -12.725 11.624 25.585 1.00 62.89 O ATOM 399 CB ASP A 26 -14.434 9.878 24.370 1.00 62.89 C ATOM 400 CG ASP A 26 -15.346 8.746 23.895 1.00 62.89 C ATOM 401 OD1 ASP A 26 -14.859 7.634 23.776 1.00 62.89 O ATOM 402 OD2 ASP A 26 -16.516 9.007 23.664 1.00 62.89 O ATOM 0 H ASP A 26 -13.943 7.679 26.660 1.00 62.89 H new ATOM 0 HA ASP A 26 -12.776 8.648 24.959 1.00 62.89 H new ATOM 0 HB2 ASP A 26 -15.031 10.691 24.782 1.00 62.89 H new ATOM 0 HB3 ASP A 26 -13.877 10.287 23.527 1.00 62.89 H new ATOM 407 N THR A 27 -11.915 10.231 27.079 1.00115.68 N ATOM 408 CA THR A 27 -11.109 11.308 27.736 1.00115.68 C ATOM 409 C THR A 27 -9.664 11.244 27.222 1.00115.68 C ATOM 410 O THR A 27 -9.035 10.206 27.256 1.00115.68 O ATOM 411 CB THR A 27 -11.125 11.096 29.256 1.00115.68 C ATOM 412 OG1 THR A 27 -12.413 10.651 29.654 1.00115.68 O ATOM 413 CG2 THR A 27 -10.793 12.409 29.970 1.00115.68 C ATOM 0 H THR A 27 -11.824 9.307 27.501 1.00115.68 H new ATOM 0 HA THR A 27 -11.535 12.283 27.501 1.00115.68 H new ATOM 0 HB THR A 27 -10.379 10.348 29.523 1.00115.68 H new ATOM 0 HG1 THR A 27 -12.426 10.513 30.624 1.00115.68 H new ATOM 0 HG21 THR A 27 -10.806 12.250 31.048 1.00115.68 H new ATOM 0 HG22 THR A 27 -9.803 12.749 29.665 1.00115.68 H new ATOM 0 HG23 THR A 27 -11.533 13.164 29.705 1.00115.68 H new ATOM 421 N ARG A 28 -9.133 12.343 26.745 1.00115.33 N ATOM 422 CA ARG A 28 -7.731 12.334 26.227 1.00115.33 C ATOM 423 C ARG A 28 -6.984 13.576 26.724 1.00115.33 C ATOM 424 O ARG A 28 -6.854 14.551 26.009 1.00115.33 O ATOM 425 CB ARG A 28 -7.760 12.338 24.693 1.00115.33 C ATOM 426 CG ARG A 28 -8.148 10.945 24.165 1.00115.33 C ATOM 427 CD ARG A 28 -9.642 10.912 23.826 1.00115.33 C ATOM 428 NE ARG A 28 -9.998 9.562 23.303 1.00115.33 N ATOM 429 CZ ARG A 28 -10.171 8.565 24.130 1.00115.33 C ATOM 430 NH1 ARG A 28 -10.030 8.749 25.414 1.00115.33 N ATOM 431 NH2 ARG A 28 -10.485 7.384 23.671 1.00115.33 N ATOM 0 H ARG A 28 -9.609 13.244 26.692 1.00115.33 H new ATOM 0 HA ARG A 28 -7.219 11.441 26.586 1.00115.33 H new ATOM 0 HB2 ARG A 28 -8.473 13.081 24.337 1.00115.33 H new ATOM 0 HB3 ARG A 28 -6.782 12.623 24.304 1.00115.33 H new ATOM 0 HG2 ARG A 28 -7.560 10.706 23.279 1.00115.33 H new ATOM 0 HG3 ARG A 28 -7.919 10.186 24.914 1.00115.33 H new ATOM 0 HD2 ARG A 28 -10.233 11.139 24.713 1.00115.33 H new ATOM 0 HD3 ARG A 28 -9.875 11.675 23.084 1.00115.33 H new ATOM 0 HE ARG A 28 -10.107 9.416 22.299 1.00115.33 H new ATOM 0 HH11 ARG A 28 -9.785 9.672 25.773 1.00115.33 H new ATOM 0 HH12 ARG A 28 -10.165 7.970 26.059 1.00115.33 H new ATOM 0 HH21 ARG A 28 -10.595 7.240 22.667 1.00115.33 H new ATOM 0 HH22 ARG A 28 -10.620 6.606 24.316 1.00115.33 H new ATOM 445 N PRO A 29 -6.514 13.548 27.951 1.00 90.27 N ATOM 446 CA PRO A 29 -5.780 14.699 28.549 1.00 90.27 C ATOM 447 C PRO A 29 -4.333 14.854 28.044 1.00 90.27 C ATOM 448 O PRO A 29 -3.521 15.519 28.661 1.00 90.27 O ATOM 449 CB PRO A 29 -5.810 14.402 30.054 1.00 90.27 C ATOM 450 CG PRO A 29 -5.944 12.914 30.165 1.00 90.27 C ATOM 451 CD PRO A 29 -6.637 12.423 28.892 1.00 90.27 C ATOM 0 HA PRO A 29 -6.247 15.645 28.274 1.00 90.27 H new ATOM 0 HB2 PRO A 29 -4.900 14.752 30.541 1.00 90.27 H new ATOM 0 HB3 PRO A 29 -6.645 14.909 30.538 1.00 90.27 H new ATOM 0 HG2 PRO A 29 -4.965 12.447 30.274 1.00 90.27 H new ATOM 0 HG3 PRO A 29 -6.525 12.645 31.047 1.00 90.27 H new ATOM 0 HD2 PRO A 29 -6.160 11.524 28.501 1.00 90.27 H new ATOM 0 HD3 PRO A 29 -7.682 12.174 29.079 1.00 90.27 H new ATOM 459 N TYR A 30 -4.000 14.243 26.933 1.00131.19 N ATOM 460 CA TYR A 30 -2.610 14.366 26.391 1.00131.19 C ATOM 461 C TYR A 30 -2.715 14.894 24.963 1.00131.19 C ATOM 462 O TYR A 30 -2.729 14.135 24.017 1.00131.19 O ATOM 463 CB TYR A 30 -1.934 12.994 26.392 1.00131.19 C ATOM 464 CG TYR A 30 -1.676 12.591 27.822 1.00131.19 C ATOM 465 CD1 TYR A 30 -0.753 13.307 28.589 1.00131.19 C ATOM 466 CD2 TYR A 30 -2.368 11.511 28.383 1.00131.19 C ATOM 467 CE1 TYR A 30 -0.520 12.945 29.919 1.00131.19 C ATOM 468 CE2 TYR A 30 -2.133 11.148 29.712 1.00131.19 C ATOM 469 CZ TYR A 30 -1.209 11.866 30.481 1.00131.19 C ATOM 470 OH TYR A 30 -0.979 11.510 31.794 1.00131.19 O ATOM 0 H TYR A 30 -4.630 13.664 26.378 1.00131.19 H new ATOM 0 HA TYR A 30 -2.016 15.044 27.004 1.00131.19 H new ATOM 0 HB2 TYR A 30 -2.569 12.258 25.899 1.00131.19 H new ATOM 0 HB3 TYR A 30 -0.998 13.032 25.834 1.00131.19 H new ATOM 0 HD1 TYR A 30 -0.220 14.140 28.154 1.00131.19 H new ATOM 0 HD2 TYR A 30 -3.082 10.959 27.790 1.00131.19 H new ATOM 0 HE1 TYR A 30 0.192 13.499 30.512 1.00131.19 H new ATOM 0 HE2 TYR A 30 -2.664 10.314 30.146 1.00131.19 H new ATOM 0 HH TYR A 30 -1.540 10.741 32.027 1.00131.19 H new ATOM 480 N PRO A 31 -2.844 16.184 24.808 1.00108.54 N ATOM 481 CA PRO A 31 -3.013 16.817 23.480 1.00108.54 C ATOM 482 C PRO A 31 -1.714 16.979 22.687 1.00108.54 C ATOM 483 O PRO A 31 -0.647 17.154 23.230 1.00108.54 O ATOM 484 CB PRO A 31 -3.633 18.190 23.785 0.50108.54 C ATOM 485 CG PRO A 31 -3.610 18.364 25.279 0.50108.54 C ATOM 486 CD PRO A 31 -2.836 17.187 25.876 0.50108.54 C ATOM 0 HA PRO A 31 -3.631 16.185 22.842 1.00108.54 H new ATOM 0 HB2 PRO A 31 -3.069 18.984 23.296 0.50108.54 H new ATOM 0 HB3 PRO A 31 -4.654 18.244 23.407 0.50108.54 H new ATOM 0 HG2 PRO A 31 -3.135 19.308 25.546 0.50108.54 H new ATOM 0 HG3 PRO A 31 -4.625 18.394 25.676 0.50108.54 H new ATOM 0 HD2 PRO A 31 -1.820 17.473 26.148 0.50108.54 H new ATOM 0 HD3 PRO A 31 -3.314 16.812 26.781 0.50108.54 H new ATOM 494 N CYS A 32 -1.819 16.889 21.392 1.00 43.40 N ATOM 495 CA CYS A 32 -0.630 17.007 20.516 1.00 43.40 C ATOM 496 C CYS A 32 -0.147 18.450 20.493 1.00 43.40 C ATOM 497 O CYS A 32 -0.923 19.381 20.419 1.00 43.40 O ATOM 498 CB CYS A 32 -1.013 16.560 19.098 1.00 43.40 C ATOM 499 SG CYS A 32 0.069 17.344 17.885 1.00 43.40 S ATOM 0 H CYS A 32 -2.698 16.736 20.898 1.00 43.40 H new ATOM 0 HA CYS A 32 0.173 16.376 20.896 1.00 43.40 H new ATOM 0 HB2 CYS A 32 -0.937 15.476 19.017 1.00 43.40 H new ATOM 0 HB3 CYS A 32 -2.051 16.822 18.894 1.00 43.40 H new ATOM 0 HG CYS A 32 0.692 16.429 17.204 1.00 43.40 H new ATOM 504 N GLN A 33 1.141 18.628 20.569 1.00113.04 N ATOM 505 CA GLN A 33 1.709 19.992 20.567 1.00113.04 C ATOM 506 C GLN A 33 1.810 20.529 19.134 1.00113.04 C ATOM 507 O GLN A 33 2.050 21.707 18.942 1.00113.04 O ATOM 508 CB GLN A 33 3.117 19.963 21.197 1.00113.04 C ATOM 509 CG GLN A 33 3.595 18.517 21.419 1.00113.04 C ATOM 510 CD GLN A 33 2.891 17.925 22.637 1.00113.04 C ATOM 511 OE1 GLN A 33 2.182 16.841 22.499 1.00113.04 O flip ATOM 512 NE2 GLN A 33 2.993 18.451 23.726 1.00113.04 N flip ATOM 0 H GLN A 33 1.827 17.876 20.633 1.00113.04 H new ATOM 0 HA GLN A 33 1.054 20.644 21.145 1.00113.04 H new ATOM 0 HB2 GLN A 33 3.820 20.486 20.548 1.00113.04 H new ATOM 0 HB3 GLN A 33 3.104 20.495 22.148 1.00113.04 H new ATOM 0 HG2 GLN A 33 3.384 17.914 20.536 1.00113.04 H new ATOM 0 HG3 GLN A 33 4.675 18.499 21.566 1.00113.04 H new ATOM 0 HE21 GLN A 33 3.549 19.300 23.832 1.00113.04 H new ATOM 0 HE22 GLN A 33 2.523 18.044 24.535 1.00113.04 H new ATOM 521 N TYR A 34 1.712 19.693 18.120 1.00118.47 N ATOM 522 CA TYR A 34 1.911 20.226 16.730 1.00118.47 C ATOM 523 C TYR A 34 0.704 20.076 15.794 1.00118.47 C ATOM 524 O TYR A 34 0.338 21.023 15.132 1.00118.47 O ATOM 525 CB TYR A 34 3.103 19.502 16.111 1.00118.47 C ATOM 526 CG TYR A 34 4.236 19.519 17.101 1.00118.47 C ATOM 527 CD1 TYR A 34 4.357 18.484 18.025 1.00118.47 C ATOM 528 CD2 TYR A 34 5.164 20.566 17.090 1.00118.47 C ATOM 529 CE1 TYR A 34 5.413 18.486 18.945 1.00118.47 C ATOM 530 CE2 TYR A 34 6.220 20.572 18.007 1.00118.47 C ATOM 531 CZ TYR A 34 6.348 19.530 18.932 1.00118.47 C ATOM 532 OH TYR A 34 7.391 19.532 19.834 1.00118.47 O ATOM 0 H TYR A 34 1.509 18.696 18.190 1.00118.47 H new ATOM 0 HA TYR A 34 2.070 21.299 16.834 1.00118.47 H new ATOM 0 HB2 TYR A 34 2.835 18.476 15.860 1.00118.47 H new ATOM 0 HB3 TYR A 34 3.403 19.990 15.183 1.00118.47 H new ATOM 0 HD1 TYR A 34 3.636 17.680 18.032 1.00118.47 H new ATOM 0 HD2 TYR A 34 5.065 21.369 16.374 1.00118.47 H new ATOM 0 HE1 TYR A 34 5.507 17.685 19.663 1.00118.47 H new ATOM 0 HE2 TYR A 34 6.936 21.380 18.001 1.00118.47 H new ATOM 0 HH TYR A 34 7.947 20.326 19.689 1.00118.47 H new ATOM 542 N CYS A 35 0.128 18.898 15.650 1.00 56.06 N ATOM 543 CA CYS A 35 -0.998 18.770 14.641 1.00 56.06 C ATOM 544 C CYS A 35 -2.406 18.797 15.271 1.00 56.06 C ATOM 545 O CYS A 35 -3.366 19.094 14.583 1.00 56.06 O ATOM 546 CB CYS A 35 -0.786 17.543 13.725 1.00 56.06 C ATOM 547 SG CYS A 35 -1.093 15.990 14.599 1.00 56.06 S ATOM 0 H CYS A 35 0.371 18.049 16.161 1.00 56.06 H new ATOM 0 HA CYS A 35 -0.955 19.664 14.020 1.00 56.06 H new ATOM 0 HB2 CYS A 35 -1.451 17.613 12.864 1.00 56.06 H new ATOM 0 HB3 CYS A 35 0.234 17.548 13.341 1.00 56.06 H new ATOM 0 HG CYS A 35 -0.771 16.126 15.851 1.00 56.06 H new ATOM 552 N GLY A 36 -2.575 18.557 16.553 1.00 19.15 N ATOM 553 CA GLY A 36 -3.969 18.670 17.128 1.00 19.15 C ATOM 554 C GLY A 36 -4.465 17.408 17.854 1.00 19.15 C ATOM 555 O GLY A 36 -5.245 17.489 18.783 1.00 19.15 O ATOM 0 H GLY A 36 -1.840 18.296 17.211 1.00 19.15 H new ATOM 0 HA2 GLY A 36 -3.994 19.508 17.825 1.00 19.15 H new ATOM 0 HA3 GLY A 36 -4.663 18.906 16.321 1.00 19.15 H new ATOM 559 N LYS A 37 -4.065 16.258 17.422 1.00 73.47 N ATOM 560 CA LYS A 37 -4.571 15.006 18.054 1.00 73.47 C ATOM 561 C LYS A 37 -4.415 15.008 19.572 1.00 73.47 C ATOM 562 O LYS A 37 -3.662 15.750 20.136 1.00 73.47 O ATOM 563 CB LYS A 37 -3.817 13.814 17.461 1.00 73.47 C ATOM 564 CG LYS A 37 -4.535 13.393 16.182 1.00 73.47 C ATOM 565 CD LYS A 37 -3.741 12.319 15.448 1.00 73.47 C ATOM 566 CE LYS A 37 -4.409 12.063 14.095 1.00 73.47 C ATOM 567 NZ LYS A 37 -5.890 12.018 14.274 1.00 73.47 N ATOM 0 H LYS A 37 -3.406 16.121 16.655 1.00 73.47 H new ATOM 0 HA LYS A 37 -5.638 14.935 17.845 1.00 73.47 H new ATOM 0 HB2 LYS A 37 -2.783 14.085 17.246 1.00 73.47 H new ATOM 0 HB3 LYS A 37 -3.789 12.988 18.172 1.00 73.47 H new ATOM 0 HG2 LYS A 37 -5.529 13.016 16.424 1.00 73.47 H new ATOM 0 HG3 LYS A 37 -4.671 14.259 15.534 1.00 73.47 H new ATOM 0 HD2 LYS A 37 -2.709 12.641 15.307 1.00 73.47 H new ATOM 0 HD3 LYS A 37 -3.711 11.401 16.036 1.00 73.47 H new ATOM 0 HE2 LYS A 37 -4.141 12.850 13.390 1.00 73.47 H new ATOM 0 HE3 LYS A 37 -4.054 11.123 13.674 1.00 73.47 H new ATOM 0 HZ1 LYS A 37 -6.322 11.523 13.468 1.00 73.47 H new ATOM 0 HZ2 LYS A 37 -6.118 11.512 15.153 1.00 73.47 H new ATOM 0 HZ3 LYS A 37 -6.263 12.987 14.326 1.00 73.47 H new ATOM 581 N ARG A 38 -5.162 14.163 20.207 1.00160.56 N ATOM 582 CA ARG A 38 -5.124 14.041 21.689 1.00160.56 C ATOM 583 C ARG A 38 -5.012 12.564 22.031 1.00160.56 C ATOM 584 O ARG A 38 -5.414 11.716 21.263 1.00160.56 O ATOM 585 CB ARG A 38 -6.407 14.603 22.305 1.00160.56 C ATOM 586 CG ARG A 38 -6.675 16.028 21.788 1.00160.56 C ATOM 587 CD ARG A 38 -7.759 16.004 20.701 1.00160.56 C ATOM 588 NE ARG A 38 -8.947 15.237 21.180 1.00160.56 N ATOM 589 CZ ARG A 38 -9.852 15.818 21.925 1.00160.56 C ATOM 590 NH1 ARG A 38 -9.715 17.069 22.270 1.00160.56 N ATOM 591 NH2 ARG A 38 -10.896 15.143 22.326 1.00160.56 N ATOM 0 H ARG A 38 -5.819 13.530 19.750 1.00160.56 H new ATOM 0 HA ARG A 38 -4.277 14.601 22.084 1.00160.56 H new ATOM 0 HB2 ARG A 38 -7.249 13.956 22.059 1.00160.56 H new ATOM 0 HB3 ARG A 38 -6.321 14.614 23.392 1.00160.56 H new ATOM 0 HG2 ARG A 38 -6.990 16.668 22.612 1.00160.56 H new ATOM 0 HG3 ARG A 38 -5.756 16.455 21.386 1.00160.56 H new ATOM 0 HD2 ARG A 38 -8.052 17.022 20.446 1.00160.56 H new ATOM 0 HD3 ARG A 38 -7.364 15.549 19.793 1.00160.56 H new ATOM 0 HE ARG A 38 -9.054 14.255 20.925 1.00160.56 H new ATOM 0 HH11 ARG A 38 -8.900 17.598 21.959 1.00160.56 H new ATOM 0 HH12 ARG A 38 -10.423 17.518 22.851 1.00160.56 H new ATOM 0 HH21 ARG A 38 -11.004 14.165 22.058 1.00160.56 H new ATOM 0 HH22 ARG A 38 -11.603 15.594 22.907 1.00160.56 H new ATOM 605 N PHE A 39 -4.438 12.245 23.164 1.00 72.45 N ATOM 606 CA PHE A 39 -4.280 10.815 23.535 1.00 72.45 C ATOM 607 C PHE A 39 -4.674 10.598 24.995 1.00 72.45 C ATOM 608 O PHE A 39 -4.770 11.528 25.786 1.00 72.45 O ATOM 609 CB PHE A 39 -2.831 10.403 23.309 1.00 72.45 C ATOM 610 CG PHE A 39 -2.453 10.770 21.894 1.00 72.45 C ATOM 611 CD1 PHE A 39 -2.107 12.092 21.581 1.00 72.45 C ATOM 612 CD2 PHE A 39 -2.474 9.797 20.891 1.00 72.45 C ATOM 613 CE1 PHE A 39 -1.777 12.437 20.267 1.00 72.45 C ATOM 614 CE2 PHE A 39 -2.149 10.144 19.573 1.00 72.45 C ATOM 615 CZ PHE A 39 -1.799 11.463 19.262 1.00 72.45 C ATOM 0 H PHE A 39 -4.075 12.914 23.843 1.00 72.45 H new ATOM 0 HA PHE A 39 -4.934 10.203 22.914 1.00 72.45 H new ATOM 0 HB2 PHE A 39 -2.177 10.907 24.020 1.00 72.45 H new ATOM 0 HB3 PHE A 39 -2.711 9.332 23.469 1.00 72.45 H new ATOM 0 HD1 PHE A 39 -2.095 12.845 22.356 1.00 72.45 H new ATOM 0 HD2 PHE A 39 -2.741 8.778 21.132 1.00 72.45 H new ATOM 0 HE1 PHE A 39 -1.505 13.454 20.028 1.00 72.45 H new ATOM 0 HE2 PHE A 39 -2.169 9.393 18.797 1.00 72.45 H new ATOM 0 HZ PHE A 39 -1.546 11.729 18.246 1.00 72.45 H new ATOM 625 N HIS A 40 -4.925 9.362 25.334 1.00 97.77 N ATOM 626 CA HIS A 40 -5.345 9.009 26.714 1.00 97.77 C ATOM 627 C HIS A 40 -4.140 8.604 27.563 1.00 97.77 C ATOM 628 O HIS A 40 -4.249 8.475 28.766 1.00 97.77 O ATOM 629 CB HIS A 40 -6.330 7.835 26.649 1.00 97.77 C ATOM 630 CG HIS A 40 -5.903 6.863 25.578 1.00 97.77 C ATOM 631 ND1 HIS A 40 -4.616 6.840 25.058 1.00 97.77 N ATOM 632 CD2 HIS A 40 -6.587 5.868 24.925 1.00 97.77 C ATOM 633 CE1 HIS A 40 -4.569 5.858 24.137 1.00 97.77 C ATOM 634 NE2 HIS A 40 -5.744 5.235 24.017 1.00 97.77 N ATOM 0 H HIS A 40 -4.854 8.569 24.697 1.00 97.77 H new ATOM 0 HA HIS A 40 -5.816 9.879 27.171 1.00 97.77 H new ATOM 0 HB2 HIS A 40 -6.371 7.330 27.614 1.00 97.77 H new ATOM 0 HB3 HIS A 40 -7.334 8.203 26.438 1.00 97.77 H new ATOM 0 HD2 HIS A 40 -7.624 5.615 25.091 1.00 97.77 H new ATOM 0 HE1 HIS A 40 -3.688 5.605 23.565 1.00 97.77 H new ATOM 0 HE2 HIS A 40 -5.974 4.461 23.394 1.00 97.77 H new ATOM 642 N GLN A 41 -2.994 8.384 26.962 1.00106.11 N ATOM 643 CA GLN A 41 -1.815 7.971 27.776 1.00106.11 C ATOM 644 C GLN A 41 -0.592 8.819 27.402 1.00106.11 C ATOM 645 O GLN A 41 -0.105 8.773 26.289 1.00106.11 O ATOM 646 CB GLN A 41 -1.522 6.492 27.510 1.00106.11 C ATOM 647 CG GLN A 41 -2.809 5.674 27.689 1.00106.11 C ATOM 648 CD GLN A 41 -2.510 4.192 27.441 1.00106.11 C ATOM 649 OE1 GLN A 41 -1.444 3.850 26.968 1.00106.11 O ATOM 650 NE2 GLN A 41 -3.411 3.291 27.742 1.00106.11 N ATOM 0 H GLN A 41 -2.829 8.472 25.959 1.00106.11 H new ATOM 0 HA GLN A 41 -2.032 8.121 28.834 1.00106.11 H new ATOM 0 HB2 GLN A 41 -1.134 6.363 26.499 1.00106.11 H new ATOM 0 HB3 GLN A 41 -0.753 6.134 28.194 1.00106.11 H new ATOM 0 HG2 GLN A 41 -3.204 5.813 28.695 1.00106.11 H new ATOM 0 HG3 GLN A 41 -3.574 6.023 26.995 1.00106.11 H new ATOM 0 HE21 GLN A 41 -4.306 3.577 28.139 1.00106.11 H new ATOM 0 HE22 GLN A 41 -3.218 2.303 27.580 1.00106.11 H new ATOM 659 N LYS A 42 -0.091 9.591 28.328 1.00136.29 N ATOM 660 CA LYS A 42 1.099 10.454 28.056 1.00136.29 C ATOM 661 C LYS A 42 2.065 9.780 27.086 1.00136.29 C ATOM 662 O LYS A 42 2.172 10.146 25.933 1.00136.29 O ATOM 663 CB LYS A 42 1.849 10.698 29.371 1.00136.29 C ATOM 664 CG LYS A 42 3.145 11.448 29.088 1.00136.29 C ATOM 665 CD LYS A 42 3.874 11.687 30.403 1.00136.29 C ATOM 666 CE LYS A 42 5.086 12.589 30.165 1.00136.29 C ATOM 667 NZ LYS A 42 5.673 12.968 31.481 1.00136.29 N ATOM 0 H LYS A 42 -0.460 9.663 29.276 1.00136.29 H new ATOM 0 HA LYS A 42 0.745 11.387 27.618 1.00136.29 H new ATOM 0 HB2 LYS A 42 1.226 11.274 30.056 1.00136.29 H new ATOM 0 HB3 LYS A 42 2.066 9.748 29.860 1.00136.29 H new ATOM 0 HG2 LYS A 42 3.773 10.872 28.408 1.00136.29 H new ATOM 0 HG3 LYS A 42 2.931 12.398 28.597 1.00136.29 H new ATOM 0 HD2 LYS A 42 3.200 12.150 31.124 1.00136.29 H new ATOM 0 HD3 LYS A 42 4.194 10.737 30.830 1.00136.29 H new ATOM 0 HE2 LYS A 42 5.828 12.071 29.557 1.00136.29 H new ATOM 0 HE3 LYS A 42 4.789 13.481 29.614 1.00136.29 H new ATOM 0 HZ1 LYS A 42 6.499 13.582 31.329 1.00136.29 H new ATOM 0 HZ2 LYS A 42 4.962 13.477 32.045 1.00136.29 H new ATOM 0 HZ3 LYS A 42 5.969 12.110 31.989 1.00136.29 H new ATOM 681 N SER A 43 2.777 8.806 27.557 1.00 65.22 N ATOM 682 CA SER A 43 3.767 8.094 26.716 1.00 65.22 C ATOM 683 C SER A 43 3.198 7.785 25.329 1.00 65.22 C ATOM 684 O SER A 43 3.904 7.832 24.335 1.00 65.22 O ATOM 685 CB SER A 43 4.149 6.816 27.457 1.00 65.22 C ATOM 686 OG SER A 43 4.521 7.145 28.796 1.00 65.22 O ATOM 0 H SER A 43 2.713 8.464 28.516 1.00 65.22 H new ATOM 0 HA SER A 43 4.647 8.716 26.552 1.00 65.22 H new ATOM 0 HB2 SER A 43 3.311 6.119 27.460 1.00 65.22 H new ATOM 0 HB3 SER A 43 4.975 6.319 26.949 1.00 65.22 H new ATOM 0 HG SER A 43 4.766 6.327 29.278 1.00 65.22 H new ATOM 692 N ASP A 44 1.934 7.507 25.233 1.00 40.66 N ATOM 693 CA ASP A 44 1.369 7.255 23.885 1.00 40.66 C ATOM 694 C ASP A 44 1.411 8.602 23.139 1.00 40.66 C ATOM 695 O ASP A 44 1.797 8.657 21.988 1.00 40.66 O ATOM 696 CB ASP A 44 -0.052 6.679 23.979 1.00 40.66 C ATOM 697 CG ASP A 44 0.042 5.241 24.506 1.00 40.66 C ATOM 698 OD1 ASP A 44 1.144 4.825 24.829 1.00 40.66 O ATOM 699 OD2 ASP A 44 -0.981 4.581 24.573 1.00 40.66 O ATOM 0 H ASP A 44 1.278 7.444 26.012 1.00 40.66 H new ATOM 0 HA ASP A 44 1.947 6.507 23.342 1.00 40.66 H new ATOM 0 HB2 ASP A 44 -0.665 7.287 24.644 1.00 40.66 H new ATOM 0 HB3 ASP A 44 -0.533 6.694 23.001 1.00 40.66 H new ATOM 704 N MET A 45 1.096 9.710 23.782 1.00 31.66 N ATOM 705 CA MET A 45 1.209 11.017 23.064 1.00 31.66 C ATOM 706 C MET A 45 2.698 11.309 22.840 1.00 31.66 C ATOM 707 O MET A 45 3.133 11.651 21.766 1.00 31.66 O ATOM 708 CB MET A 45 0.630 12.130 23.932 0.50 31.66 C ATOM 709 CG MET A 45 1.017 13.501 23.355 0.50 31.66 C ATOM 710 SD MET A 45 2.476 14.134 24.218 1.00 31.66 S ATOM 711 CE MET A 45 1.639 14.705 25.718 1.00 31.66 C ATOM 0 H MET A 45 0.774 9.761 24.748 1.00 31.66 H new ATOM 0 HA MET A 45 0.669 10.969 22.118 1.00 31.66 H new ATOM 0 HB2 MET A 45 -0.455 12.039 23.979 0.50 31.66 H new ATOM 0 HB3 MET A 45 1.002 12.037 24.952 0.50 31.66 H new ATOM 0 HG2 MET A 45 1.223 13.413 22.288 0.50 31.66 H new ATOM 0 HG3 MET A 45 0.187 14.199 23.463 0.50 31.66 H new ATOM 0 HE1 MET A 45 2.225 15.499 26.182 1.00 31.66 H new ATOM 0 HE2 MET A 45 0.651 15.087 25.461 1.00 31.66 H new ATOM 0 HE3 MET A 45 1.536 13.874 26.416 1.00 31.66 H new ATOM 721 N LYS A 46 3.489 11.159 23.871 1.00103.12 N ATOM 722 CA LYS A 46 4.950 11.415 23.735 1.00103.12 C ATOM 723 C LYS A 46 5.447 10.629 22.529 1.00103.12 C ATOM 724 O LYS A 46 6.277 11.082 21.773 1.00103.12 O ATOM 725 CB LYS A 46 5.702 10.963 24.988 1.00103.12 C ATOM 726 CG LYS A 46 7.143 11.471 24.924 1.00103.12 C ATOM 727 CD LYS A 46 7.960 10.790 26.021 1.00103.12 C ATOM 728 CE LYS A 46 7.381 11.159 27.390 1.00103.12 C ATOM 729 NZ LYS A 46 8.417 10.954 28.442 1.00103.12 N ATOM 0 H LYS A 46 3.184 10.870 24.801 1.00103.12 H new ATOM 0 HA LYS A 46 5.127 12.483 23.606 1.00103.12 H new ATOM 0 HB2 LYS A 46 5.208 11.347 25.881 1.00103.12 H new ATOM 0 HB3 LYS A 46 5.691 9.875 25.060 1.00103.12 H new ATOM 0 HG2 LYS A 46 7.574 11.258 23.946 1.00103.12 H new ATOM 0 HG3 LYS A 46 7.167 12.553 25.054 1.00103.12 H new ATOM 0 HD2 LYS A 46 7.941 9.709 25.885 1.00103.12 H new ATOM 0 HD3 LYS A 46 9.003 11.101 25.959 1.00103.12 H new ATOM 0 HE2 LYS A 46 7.050 12.198 27.388 1.00103.12 H new ATOM 0 HE3 LYS A 46 6.505 10.546 27.603 1.00103.12 H new ATOM 0 HZ1 LYS A 46 8.023 11.205 29.371 1.00103.12 H new ATOM 0 HZ2 LYS A 46 8.712 9.957 28.449 1.00103.12 H new ATOM 0 HZ3 LYS A 46 9.240 11.557 28.241 1.00103.12 H new ATOM 743 N LYS A 47 4.900 9.469 22.321 1.00 48.51 N ATOM 744 CA LYS A 47 5.298 8.681 21.132 1.00 48.51 C ATOM 745 C LYS A 47 4.774 9.456 19.934 1.00 48.51 C ATOM 746 O LYS A 47 5.409 9.563 18.901 1.00 48.51 O ATOM 747 CB LYS A 47 4.684 7.279 21.213 1.00 48.51 C ATOM 748 CG LYS A 47 5.603 6.368 22.037 1.00 48.51 C ATOM 749 CD LYS A 47 5.310 4.894 21.738 1.00 48.51 C ATOM 750 CE LYS A 47 3.924 4.515 22.265 1.00 48.51 C ATOM 751 NZ LYS A 47 3.816 4.871 23.710 1.00 48.51 N ATOM 0 H LYS A 47 4.198 9.035 22.920 1.00 48.51 H new ATOM 0 HA LYS A 47 6.377 8.546 21.060 1.00 48.51 H new ATOM 0 HB2 LYS A 47 3.696 7.328 21.671 1.00 48.51 H new ATOM 0 HB3 LYS A 47 4.551 6.870 20.212 1.00 48.51 H new ATOM 0 HG2 LYS A 47 6.645 6.591 21.808 1.00 48.51 H new ATOM 0 HG3 LYS A 47 5.461 6.564 23.100 1.00 48.51 H new ATOM 0 HD2 LYS A 47 5.360 4.716 20.664 1.00 48.51 H new ATOM 0 HD3 LYS A 47 6.069 4.263 22.201 1.00 48.51 H new ATOM 0 HE2 LYS A 47 3.154 5.035 21.695 1.00 48.51 H new ATOM 0 HE3 LYS A 47 3.754 3.447 22.131 1.00 48.51 H new ATOM 0 HZ1 LYS A 47 2.913 4.520 24.087 1.00 48.51 H new ATOM 0 HZ2 LYS A 47 4.602 4.437 24.234 1.00 48.51 H new ATOM 0 HZ3 LYS A 47 3.858 5.905 23.817 1.00 48.51 H new ATOM 765 N HIS A 48 3.661 10.109 20.122 1.00 65.66 N ATOM 766 CA HIS A 48 3.128 10.984 19.051 1.00 65.66 C ATOM 767 C HIS A 48 4.157 12.118 18.873 1.00 65.66 C ATOM 768 O HIS A 48 4.827 12.244 17.851 1.00 65.66 O ATOM 769 CB HIS A 48 1.784 11.574 19.503 1.00 65.66 C ATOM 770 CG HIS A 48 1.198 12.397 18.401 1.00 65.66 C ATOM 771 ND1 HIS A 48 0.470 11.854 17.334 1.00 65.66 N ATOM 772 CD2 HIS A 48 1.265 13.737 18.167 1.00 65.66 C ATOM 773 CE1 HIS A 48 0.141 12.877 16.510 1.00 65.66 C ATOM 774 NE2 HIS A 48 0.609 14.012 17.000 1.00 65.66 N ATOM 0 H HIS A 48 3.100 10.072 20.973 1.00 65.66 H new ATOM 0 HA HIS A 48 2.971 10.438 18.121 1.00 65.66 H new ATOM 0 HB2 HIS A 48 1.097 10.772 19.776 1.00 65.66 H new ATOM 0 HB3 HIS A 48 1.926 12.188 20.392 1.00 65.66 H new ATOM 0 HD1 HIS A 48 0.232 10.871 17.202 1.00 65.66 H new ATOM 0 HD2 HIS A 48 1.755 14.462 18.799 1.00 65.66 H new ATOM 0 HE1 HIS A 48 -0.419 12.780 15.592 1.00 65.66 H new ATOM 782 N THR A 49 4.316 12.937 19.892 1.00 47.02 N ATOM 783 CA THR A 49 5.303 14.047 19.847 1.00 47.02 C ATOM 784 C THR A 49 6.593 13.587 19.185 1.00 47.02 C ATOM 785 O THR A 49 7.211 14.332 18.457 1.00 47.02 O ATOM 786 CB THR A 49 5.643 14.450 21.278 1.00 47.02 C ATOM 787 OG1 THR A 49 6.062 13.302 21.982 1.00 47.02 O ATOM 788 CG2 THR A 49 4.421 15.049 21.965 1.00 47.02 C ATOM 0 H THR A 49 3.790 12.874 20.763 1.00 47.02 H new ATOM 0 HA THR A 49 4.874 14.876 19.284 1.00 47.02 H new ATOM 0 HB THR A 49 6.436 15.197 21.265 1.00 47.02 H new ATOM 0 HG1 THR A 49 5.921 12.508 21.426 1.00 47.02 H new ATOM 0 HG21 THR A 49 4.679 15.332 22.985 1.00 47.02 H new ATOM 0 HG22 THR A 49 4.091 15.931 21.416 1.00 47.02 H new ATOM 0 HG23 THR A 49 3.617 14.313 21.985 1.00 47.02 H new ATOM 796 N PHE A 50 7.009 12.366 19.412 1.00 54.63 N ATOM 797 CA PHE A 50 8.267 11.887 18.759 1.00 54.63 C ATOM 798 C PHE A 50 8.056 11.831 17.256 1.00 54.63 C ATOM 799 O PHE A 50 8.933 12.153 16.477 1.00 54.63 O ATOM 800 CB PHE A 50 8.606 10.476 19.214 1.00 54.63 C ATOM 801 CG PHE A 50 9.352 10.469 20.529 1.00 54.63 C ATOM 802 CD1 PHE A 50 9.188 11.488 21.485 1.00 54.63 C ATOM 803 CD2 PHE A 50 10.211 9.399 20.797 1.00 54.63 C ATOM 804 CE1 PHE A 50 9.889 11.419 22.706 1.00 54.63 C ATOM 805 CE2 PHE A 50 10.906 9.336 22.006 1.00 54.63 C ATOM 806 CZ PHE A 50 10.745 10.341 22.961 1.00 54.63 C ATOM 0 H PHE A 50 6.540 11.688 20.013 1.00 54.63 H new ATOM 0 HA PHE A 50 9.071 12.572 19.029 1.00 54.63 H new ATOM 0 HB2 PHE A 50 7.688 9.897 19.315 1.00 54.63 H new ATOM 0 HB3 PHE A 50 9.210 9.985 18.452 1.00 54.63 H new ATOM 0 HD1 PHE A 50 8.528 12.319 21.284 1.00 54.63 H new ATOM 0 HD2 PHE A 50 10.338 8.616 20.064 1.00 54.63 H new ATOM 0 HE1 PHE A 50 9.766 12.197 23.444 1.00 54.63 H new ATOM 0 HE2 PHE A 50 11.570 8.507 22.203 1.00 54.63 H new ATOM 0 HZ PHE A 50 11.281 10.287 23.897 1.00 54.63 H new ATOM 816 N ILE A 51 6.877 11.450 16.839 1.00 99.09 N ATOM 817 CA ILE A 51 6.622 11.414 15.374 1.00 99.09 C ATOM 818 C ILE A 51 6.829 12.842 14.851 1.00 99.09 C ATOM 819 O ILE A 51 7.385 13.038 13.790 1.00 99.09 O ATOM 820 CB ILE A 51 5.220 10.844 15.031 1.00 99.09 C ATOM 821 CG1 ILE A 51 4.095 11.866 15.284 1.00 99.09 C ATOM 822 CG2 ILE A 51 4.947 9.599 15.876 1.00 99.09 C ATOM 823 CD1 ILE A 51 2.797 11.354 14.654 1.00 99.09 C ATOM 0 H ILE A 51 6.098 11.169 17.435 1.00 99.09 H new ATOM 0 HA ILE A 51 7.316 10.732 14.883 1.00 99.09 H new ATOM 0 HB ILE A 51 5.226 10.599 13.969 1.00 99.09 H new ATOM 0 HG12 ILE A 51 3.959 12.017 16.355 1.00 99.09 H new ATOM 0 HG13 ILE A 51 4.363 12.833 14.858 1.00 99.09 H new ATOM 0 HG21 ILE A 51 3.962 9.202 15.632 1.00 99.09 H new ATOM 0 HG22 ILE A 51 5.704 8.844 15.666 1.00 99.09 H new ATOM 0 HG23 ILE A 51 4.980 9.862 16.933 1.00 99.09 H new ATOM 0 HD11 ILE A 51 1.998 12.074 14.831 1.00 99.09 H new ATOM 0 HD12 ILE A 51 2.939 11.226 13.581 1.00 99.09 H new ATOM 0 HD13 ILE A 51 2.528 10.397 15.101 1.00 99.09 H new ATOM 835 N HIS A 52 6.456 13.849 15.601 1.00 59.33 N ATOM 836 CA HIS A 52 6.715 15.252 15.117 1.00 59.33 C ATOM 837 C HIS A 52 8.205 15.610 15.248 1.00 59.33 C ATOM 838 O HIS A 52 8.723 16.415 14.504 1.00 59.33 O ATOM 839 CB HIS A 52 5.949 16.255 15.962 1.00 59.33 C ATOM 840 CG HIS A 52 4.508 16.238 15.582 1.00 59.33 C ATOM 841 ND1 HIS A 52 4.039 16.552 14.293 1.00 59.33 N ATOM 842 CD2 HIS A 52 3.409 15.971 16.324 1.00 59.33 C ATOM 843 CE1 HIS A 52 2.689 16.460 14.327 1.00 59.33 C ATOM 844 NE2 HIS A 52 2.299 16.119 15.545 1.00 59.33 N ATOM 0 H HIS A 52 5.994 13.771 16.507 1.00 59.33 H new ATOM 0 HA HIS A 52 6.398 15.293 14.075 1.00 59.33 H new ATOM 0 HB2 HIS A 52 6.059 16.013 17.019 1.00 59.33 H new ATOM 0 HB3 HIS A 52 6.361 17.254 15.819 1.00 59.33 H new ATOM 0 HD1 HIS A 52 4.609 16.802 13.485 1.00 59.33 H new ATOM 0 HD2 HIS A 52 3.410 15.686 17.366 1.00 59.33 H new ATOM 0 HE1 HIS A 52 2.031 16.638 13.489 1.00 59.33 H new ATOM 852 N THR A 53 8.885 15.081 16.233 1.00 97.33 N ATOM 853 CA THR A 53 10.322 15.465 16.434 1.00 97.33 C ATOM 854 C THR A 53 11.262 14.611 15.571 1.00 97.33 C ATOM 855 O THR A 53 12.453 14.846 15.497 1.00 97.33 O ATOM 856 CB THR A 53 10.699 15.277 17.908 1.00 97.33 C ATOM 857 OG1 THR A 53 10.464 13.929 18.294 1.00 97.33 O ATOM 858 CG2 THR A 53 9.848 16.204 18.767 1.00 97.33 C ATOM 0 H THR A 53 8.515 14.406 16.903 1.00 97.33 H new ATOM 0 HA THR A 53 10.433 16.508 16.138 1.00 97.33 H new ATOM 0 HB THR A 53 11.754 15.513 18.045 1.00 97.33 H new ATOM 0 HG1 THR A 53 10.062 13.440 17.546 1.00 97.33 H new ATOM 0 HG21 THR A 53 10.113 16.073 19.816 1.00 97.33 H new ATOM 0 HG22 THR A 53 10.027 17.238 18.474 1.00 97.33 H new ATOM 0 HG23 THR A 53 8.794 15.964 18.627 1.00 97.33 H new ATOM 866 N GLY A 54 10.746 13.599 14.947 1.00 23.68 N ATOM 867 CA GLY A 54 11.589 12.690 14.120 1.00 23.68 C ATOM 868 C GLY A 54 12.433 11.787 15.025 1.00 23.68 C ATOM 869 O GLY A 54 13.395 11.182 14.591 1.00 23.68 O ATOM 0 H GLY A 54 9.756 13.354 14.973 1.00 23.68 H new ATOM 0 HA2 GLY A 54 10.956 12.081 13.474 1.00 23.68 H new ATOM 0 HA3 GLY A 54 12.239 13.275 13.469 1.00 23.68 H new ATOM 873 N GLU A 55 12.107 11.739 16.278 1.00 47.26 N ATOM 874 CA GLU A 55 12.912 10.910 17.219 1.00 47.26 C ATOM 875 C GLU A 55 12.591 9.425 17.040 1.00 47.26 C ATOM 876 O GLU A 55 11.548 8.941 17.430 1.00 47.26 O ATOM 877 CB GLU A 55 12.637 11.346 18.647 1.00 47.26 C ATOM 878 CG GLU A 55 13.224 12.746 18.857 1.00 47.26 C ATOM 879 CD GLU A 55 12.818 13.269 20.230 1.00 47.26 C ATOM 880 OE1 GLU A 55 11.890 12.720 20.798 1.00 47.26 O ATOM 881 OE2 GLU A 55 13.442 14.211 20.693 1.00 47.26 O ATOM 0 H GLU A 55 11.320 12.235 16.697 1.00 47.26 H new ATOM 0 HA GLU A 55 13.970 11.055 17.001 1.00 47.26 H new ATOM 0 HB2 GLU A 55 11.564 11.354 18.839 1.00 47.26 H new ATOM 0 HB3 GLU A 55 13.082 10.641 19.349 1.00 47.26 H new ATOM 0 HG2 GLU A 55 14.310 12.712 18.776 1.00 47.26 H new ATOM 0 HG3 GLU A 55 12.868 13.421 18.079 1.00 47.26 H new ATOM 888 N LYS A 56 13.506 8.712 16.471 1.00 86.79 N ATOM 889 CA LYS A 56 13.309 7.249 16.257 1.00 86.79 C ATOM 890 C LYS A 56 14.349 6.498 17.093 1.00 86.79 C ATOM 891 O LYS A 56 15.375 6.087 16.581 1.00 86.79 O ATOM 892 CB LYS A 56 13.503 6.919 14.778 1.00 86.79 C ATOM 893 CG LYS A 56 12.685 7.895 13.919 1.00 86.79 C ATOM 894 CD LYS A 56 11.196 7.526 13.965 1.00 86.79 C ATOM 895 CE LYS A 56 10.452 8.286 12.865 1.00 86.79 C ATOM 896 NZ LYS A 56 9.018 8.432 13.242 1.00 86.79 N ATOM 0 H LYS A 56 14.398 9.078 16.137 1.00 86.79 H new ATOM 0 HA LYS A 56 12.303 6.955 16.556 1.00 86.79 H new ATOM 0 HB2 LYS A 56 14.559 6.986 14.516 1.00 86.79 H new ATOM 0 HB3 LYS A 56 13.189 5.894 14.580 1.00 86.79 H new ATOM 0 HG2 LYS A 56 12.825 8.914 14.280 1.00 86.79 H new ATOM 0 HG3 LYS A 56 13.041 7.870 12.889 1.00 86.79 H new ATOM 0 HD2 LYS A 56 11.071 6.452 13.829 1.00 86.79 H new ATOM 0 HD3 LYS A 56 10.778 7.774 14.941 1.00 86.79 H new ATOM 0 HE2 LYS A 56 10.902 9.268 12.719 1.00 86.79 H new ATOM 0 HE3 LYS A 56 10.537 7.752 11.918 1.00 86.79 H new ATOM 0 HZ1 LYS A 56 8.576 9.164 12.650 1.00 86.79 H new ATOM 0 HZ2 LYS A 56 8.527 7.527 13.098 1.00 86.79 H new ATOM 0 HZ3 LYS A 56 8.948 8.708 14.242 1.00 86.79 H new ATOM 910 N PRO A 57 14.100 6.355 18.376 1.00151.44 N ATOM 911 CA PRO A 57 15.051 5.673 19.308 1.00151.44 C ATOM 912 C PRO A 57 15.072 4.147 19.175 1.00151.44 C ATOM 913 O PRO A 57 15.946 3.484 19.705 1.00151.44 O ATOM 914 CB PRO A 57 14.533 6.067 20.677 1.00151.44 C ATOM 915 CG PRO A 57 13.065 6.240 20.486 1.00151.44 C ATOM 916 CD PRO A 57 12.878 6.804 19.079 1.00151.44 C ATOM 0 HA PRO A 57 16.079 5.972 19.102 1.00151.44 H new ATOM 0 HB2 PRO A 57 14.749 5.298 21.419 1.00151.44 H new ATOM 0 HB3 PRO A 57 14.999 6.988 21.027 1.00151.44 H new ATOM 0 HG2 PRO A 57 12.544 5.289 20.596 1.00151.44 H new ATOM 0 HG3 PRO A 57 12.653 6.917 21.234 1.00151.44 H new ATOM 0 HD2 PRO A 57 11.975 6.418 18.606 1.00151.44 H new ATOM 0 HD3 PRO A 57 12.793 7.891 19.088 1.00151.44 H new ATOM 924 N HIS A 58 14.120 3.561 18.497 1.00 42.67 N ATOM 925 CA HIS A 58 14.148 2.078 18.389 1.00 42.67 C ATOM 926 C HIS A 58 14.932 1.675 17.145 1.00 42.67 C ATOM 927 O HIS A 58 14.374 1.417 16.103 1.00 42.67 O ATOM 928 CB HIS A 58 12.725 1.545 18.331 1.00 42.67 C ATOM 929 CG HIS A 58 12.007 1.923 19.591 1.00 42.67 C ATOM 930 ND1 HIS A 58 12.119 1.175 20.750 1.00 42.67 N ATOM 931 CD2 HIS A 58 11.169 2.968 19.899 1.00 42.67 C ATOM 932 CE1 HIS A 58 11.370 1.772 21.694 1.00 42.67 C ATOM 933 NE2 HIS A 58 10.767 2.870 21.230 1.00 42.67 N ATOM 0 H HIS A 58 13.346 4.031 18.027 1.00 42.67 H new ATOM 0 HA HIS A 58 14.640 1.651 19.263 1.00 42.67 H new ATOM 0 HB2 HIS A 58 12.205 1.955 17.465 1.00 42.67 H new ATOM 0 HB3 HIS A 58 12.734 0.461 18.214 1.00 42.67 H new ATOM 0 HD2 HIS A 58 10.868 3.747 19.214 1.00 42.67 H new ATOM 0 HE1 HIS A 58 11.268 1.408 22.706 1.00 42.67 H new ATOM 0 HE2 HIS A 58 10.147 3.500 21.739 1.00 42.67 H new ATOM 941 N LYS A 59 16.229 1.648 17.254 1.00 72.96 N ATOM 942 CA LYS A 59 17.084 1.310 16.103 1.00 72.96 C ATOM 943 C LYS A 59 17.096 -0.191 15.841 1.00 72.96 C ATOM 944 O LYS A 59 17.164 -1.003 16.745 1.00 72.96 O ATOM 945 CB LYS A 59 18.506 1.806 16.401 1.00 72.96 C ATOM 946 CG LYS A 59 18.451 3.309 16.716 1.00 72.96 C ATOM 947 CD LYS A 59 19.864 3.900 16.767 1.00 72.96 C ATOM 948 CE LYS A 59 19.775 5.405 17.043 1.00 72.96 C ATOM 949 NZ LYS A 59 19.211 5.640 18.407 1.00 72.96 N ATOM 0 H LYS A 59 16.736 1.852 18.115 1.00 72.96 H new ATOM 0 HA LYS A 59 16.690 1.792 15.208 1.00 72.96 H new ATOM 0 HB2 LYS A 59 18.927 1.259 17.244 1.00 72.96 H new ATOM 0 HB3 LYS A 59 19.156 1.623 15.546 1.00 72.96 H new ATOM 0 HG2 LYS A 59 17.862 3.824 15.957 1.00 72.96 H new ATOM 0 HG3 LYS A 59 17.949 3.468 17.671 1.00 72.96 H new ATOM 0 HD2 LYS A 59 20.448 3.410 17.546 1.00 72.96 H new ATOM 0 HD3 LYS A 59 20.379 3.722 15.823 1.00 72.96 H new ATOM 0 HE2 LYS A 59 20.764 5.857 16.966 1.00 72.96 H new ATOM 0 HE3 LYS A 59 19.147 5.885 16.293 1.00 72.96 H new ATOM 0 HZ1 LYS A 59 19.415 6.616 18.704 1.00 72.96 H new ATOM 0 HZ2 LYS A 59 18.182 5.492 18.387 1.00 72.96 H new ATOM 0 HZ3 LYS A 59 19.643 4.976 19.081 1.00 72.96 H new ATOM 963 N CYS A 60 17.067 -0.547 14.587 1.00 38.91 N ATOM 964 CA CYS A 60 17.129 -1.981 14.201 1.00 38.91 C ATOM 965 C CYS A 60 18.563 -2.216 13.716 1.00 38.91 C ATOM 966 O CYS A 60 18.986 -1.648 12.729 1.00 38.91 O ATOM 967 CB CYS A 60 16.133 -2.285 13.064 1.00 38.91 C ATOM 968 SG CYS A 60 16.752 -3.681 12.098 1.00 38.91 S ATOM 0 H CYS A 60 17.002 0.104 13.805 1.00 38.91 H new ATOM 0 HA CYS A 60 16.867 -2.628 15.038 1.00 38.91 H new ATOM 0 HB2 CYS A 60 15.151 -2.518 13.476 1.00 38.91 H new ATOM 0 HB3 CYS A 60 16.012 -1.410 12.426 1.00 38.91 H new ATOM 0 HG CYS A 60 15.803 -4.135 11.334 1.00 38.91 H new ATOM 973 N GLN A 61 19.328 -3.026 14.386 1.00124.00 N ATOM 974 CA GLN A 61 20.740 -3.245 13.928 1.00124.00 C ATOM 975 C GLN A 61 20.777 -4.331 12.858 1.00124.00 C ATOM 976 O GLN A 61 21.819 -4.863 12.526 1.00124.00 O ATOM 977 CB GLN A 61 21.605 -3.692 15.098 1.00124.00 C ATOM 978 CG GLN A 61 21.036 -3.165 16.415 1.00124.00 C ATOM 979 CD GLN A 61 22.030 -3.466 17.539 1.00124.00 C ATOM 980 OE1 GLN A 61 23.077 -4.033 17.298 1.00124.00 O ATOM 981 NE2 GLN A 61 21.750 -3.112 18.763 1.00124.00 N ATOM 0 H GLN A 61 19.050 -3.543 15.220 1.00124.00 H new ATOM 0 HA GLN A 61 21.120 -2.307 13.522 1.00124.00 H new ATOM 0 HB2 GLN A 61 21.655 -4.780 15.126 1.00124.00 H new ATOM 0 HB3 GLN A 61 22.624 -3.329 14.964 1.00124.00 H new ATOM 0 HG2 GLN A 61 20.858 -2.092 16.346 1.00124.00 H new ATOM 0 HG3 GLN A 61 20.075 -3.635 16.625 1.00124.00 H new ATOM 0 HE21 GLN A 61 20.872 -2.636 18.968 1.00124.00 H new ATOM 0 HE22 GLN A 61 22.410 -3.311 19.515 1.00124.00 H new ATOM 990 N VAL A 62 19.647 -4.673 12.323 1.00 56.07 N ATOM 991 CA VAL A 62 19.602 -5.736 11.281 1.00 56.07 C ATOM 992 C VAL A 62 19.632 -5.118 9.889 1.00 56.07 C ATOM 993 O VAL A 62 20.271 -5.635 8.985 1.00 56.07 O ATOM 994 CB VAL A 62 18.329 -6.553 11.459 1.00 56.07 C ATOM 995 CG1 VAL A 62 18.325 -7.692 10.442 1.00 56.07 C ATOM 996 CG2 VAL A 62 18.316 -7.124 12.879 1.00 56.07 C ATOM 0 H VAL A 62 18.744 -4.262 12.561 1.00 56.07 H new ATOM 0 HA VAL A 62 20.473 -6.382 11.389 1.00 56.07 H new ATOM 0 HB VAL A 62 17.448 -5.930 11.304 1.00 56.07 H new ATOM 0 HG11 VAL A 62 17.417 -8.283 10.561 1.00 56.07 H new ATOM 0 HG12 VAL A 62 18.359 -7.280 9.434 1.00 56.07 H new ATOM 0 HG13 VAL A 62 19.196 -8.327 10.604 1.00 56.07 H new ATOM 0 HG21 VAL A 62 17.411 -7.713 13.026 1.00 56.07 H new ATOM 0 HG22 VAL A 62 19.190 -7.759 13.024 1.00 56.07 H new ATOM 0 HG23 VAL A 62 18.338 -6.307 13.600 1.00 56.07 H new ATOM 1006 N CYS A 63 18.950 -4.019 9.711 1.00 63.83 N ATOM 1007 CA CYS A 63 18.935 -3.348 8.385 1.00 63.83 C ATOM 1008 C CYS A 63 19.229 -1.847 8.582 1.00 63.83 C ATOM 1009 O CYS A 63 19.470 -1.113 7.655 1.00 63.83 O ATOM 1010 CB CYS A 63 17.594 -3.607 7.671 1.00 63.83 C ATOM 1011 SG CYS A 63 16.225 -2.747 8.482 1.00 63.83 S ATOM 0 H CYS A 63 18.400 -3.556 10.434 1.00 63.83 H new ATOM 0 HA CYS A 63 19.711 -3.758 7.739 1.00 63.83 H new ATOM 0 HB2 CYS A 63 17.665 -3.280 6.634 1.00 63.83 H new ATOM 0 HB3 CYS A 63 17.392 -4.678 7.654 1.00 63.83 H new ATOM 0 HG CYS A 63 16.266 -2.975 9.761 1.00 63.83 H new ATOM 1016 N GLY A 64 19.270 -1.414 9.796 1.00 23.81 N ATOM 1017 CA GLY A 64 19.617 0.003 10.070 1.00 23.81 C ATOM 1018 C GLY A 64 18.413 0.910 9.880 1.00 23.81 C ATOM 1019 O GLY A 64 18.530 2.090 9.606 1.00 23.81 O ATOM 0 H GLY A 64 19.077 -1.981 10.622 1.00 23.81 H new ATOM 0 HA2 GLY A 64 19.990 0.098 11.090 1.00 23.81 H new ATOM 0 HA3 GLY A 64 20.422 0.318 9.406 1.00 23.81 H new ATOM 1023 N LYS A 65 17.268 0.391 10.156 1.00120.74 N ATOM 1024 CA LYS A 65 16.058 1.231 10.141 1.00120.74 C ATOM 1025 C LYS A 65 15.883 1.612 11.596 1.00120.74 C ATOM 1026 O LYS A 65 16.763 1.399 12.408 1.00120.74 O ATOM 1027 CB LYS A 65 14.832 0.449 9.624 1.00120.74 C ATOM 1028 CG LYS A 65 13.985 1.352 8.720 1.00120.74 C ATOM 1029 CD LYS A 65 12.915 0.507 8.020 1.00120.74 C ATOM 1030 CE LYS A 65 12.235 1.327 6.922 1.00120.74 C ATOM 1031 NZ LYS A 65 13.045 1.248 5.674 1.00120.74 N ATOM 0 H LYS A 65 17.114 -0.589 10.394 1.00120.74 H new ATOM 0 HA LYS A 65 16.150 2.091 9.478 1.00120.74 H new ATOM 0 HB2 LYS A 65 15.158 -0.432 9.071 1.00120.74 H new ATOM 0 HB3 LYS A 65 14.234 0.095 10.464 1.00120.74 H new ATOM 0 HG2 LYS A 65 13.515 2.139 9.310 1.00120.74 H new ATOM 0 HG3 LYS A 65 14.618 1.843 7.981 1.00120.74 H new ATOM 0 HD2 LYS A 65 13.369 -0.386 7.590 1.00120.74 H new ATOM 0 HD3 LYS A 65 12.174 0.170 8.745 1.00120.74 H new ATOM 0 HE2 LYS A 65 11.229 0.949 6.740 1.00120.74 H new ATOM 0 HE3 LYS A 65 12.133 2.365 7.238 1.00120.74 H new ATOM 0 HZ1 LYS A 65 12.585 1.805 4.926 1.00120.74 H new ATOM 0 HZ2 LYS A 65 13.996 1.628 5.853 1.00120.74 H new ATOM 0 HZ3 LYS A 65 13.120 0.256 5.371 1.00120.74 H new ATOM 1045 N ALA A 66 14.832 2.225 11.943 1.00 39.51 N ATOM 1046 CA ALA A 66 14.682 2.658 13.322 1.00 39.51 C ATOM 1047 C ALA A 66 13.223 3.015 13.483 1.00 39.51 C ATOM 1048 O ALA A 66 12.546 3.363 12.534 1.00 39.51 O ATOM 1049 CB ALA A 66 15.593 3.870 13.571 1.00 39.51 C ATOM 0 H ALA A 66 14.053 2.452 11.324 1.00 39.51 H new ATOM 0 HA ALA A 66 14.967 1.890 14.041 1.00 39.51 H new ATOM 0 HB1 ALA A 66 15.485 4.200 14.604 1.00 39.51 H new ATOM 0 HB2 ALA A 66 16.630 3.590 13.386 1.00 39.51 H new ATOM 0 HB3 ALA A 66 15.311 4.681 12.900 1.00 39.51 H new ATOM 1055 N PHE A 67 12.686 2.827 14.630 1.00 62.57 N ATOM 1056 CA PHE A 67 11.227 3.072 14.760 1.00 62.57 C ATOM 1057 C PHE A 67 10.869 3.978 15.925 1.00 62.57 C ATOM 1058 O PHE A 67 11.492 3.973 16.971 1.00 62.57 O ATOM 1059 CB PHE A 67 10.540 1.730 14.911 1.00 62.57 C ATOM 1060 CG PHE A 67 11.259 0.776 14.003 1.00 62.57 C ATOM 1061 CD1 PHE A 67 12.368 0.074 14.474 1.00 62.57 C ATOM 1062 CD2 PHE A 67 10.848 0.629 12.671 1.00 62.57 C ATOM 1063 CE1 PHE A 67 13.069 -0.773 13.621 1.00 62.57 C ATOM 1064 CE2 PHE A 67 11.549 -0.232 11.818 1.00 62.57 C ATOM 1065 CZ PHE A 67 12.662 -0.929 12.299 1.00 62.57 C ATOM 0 H PHE A 67 13.169 2.521 15.475 1.00 62.57 H new ATOM 0 HA PHE A 67 10.890 3.594 13.864 1.00 62.57 H new ATOM 0 HB2 PHE A 67 10.582 1.387 15.945 1.00 62.57 H new ATOM 0 HB3 PHE A 67 9.486 1.802 14.642 1.00 62.57 H new ATOM 0 HD1 PHE A 67 12.683 0.188 15.501 1.00 62.57 H new ATOM 0 HD2 PHE A 67 9.993 1.178 12.304 1.00 62.57 H new ATOM 0 HE1 PHE A 67 13.931 -1.311 13.986 1.00 62.57 H new ATOM 0 HE2 PHE A 67 11.232 -0.357 10.793 1.00 62.57 H new ATOM 0 HZ PHE A 67 13.208 -1.591 11.642 1.00 62.57 H new ATOM 1075 N SER A 68 9.832 4.751 15.733 1.00 84.84 N ATOM 1076 CA SER A 68 9.348 5.665 16.791 1.00 84.84 C ATOM 1077 C SER A 68 8.710 4.834 17.917 1.00 84.84 C ATOM 1078 O SER A 68 8.356 5.354 18.963 1.00 84.84 O ATOM 1079 CB SER A 68 8.291 6.567 16.165 1.00 84.84 C ATOM 1080 OG SER A 68 7.017 5.936 16.261 1.00 84.84 O ATOM 0 H SER A 68 9.294 4.782 14.867 1.00 84.84 H new ATOM 0 HA SER A 68 10.165 6.257 17.203 1.00 84.84 H new ATOM 0 HB2 SER A 68 8.271 7.531 16.674 1.00 84.84 H new ATOM 0 HB3 SER A 68 8.535 6.762 15.121 1.00 84.84 H new ATOM 0 HG SER A 68 6.335 6.514 15.861 1.00 84.84 H new ATOM 1086 N GLN A 69 8.545 3.542 17.710 1.00 93.39 N ATOM 1087 CA GLN A 69 7.910 2.698 18.762 1.00 93.39 C ATOM 1088 C GLN A 69 8.520 1.290 18.791 1.00 93.39 C ATOM 1089 O GLN A 69 8.593 0.596 17.785 1.00 93.39 O ATOM 1090 CB GLN A 69 6.416 2.552 18.455 1.00 93.39 C ATOM 1091 CG GLN A 69 5.819 3.874 17.954 1.00 93.39 C ATOM 1092 CD GLN A 69 4.302 3.716 17.912 1.00 93.39 C ATOM 1093 OE1 GLN A 69 3.787 2.669 18.246 1.00 93.39 O ATOM 1094 NE2 GLN A 69 3.556 4.705 17.511 1.00 93.39 N ATOM 0 H GLN A 69 8.823 3.047 16.863 1.00 93.39 H new ATOM 0 HA GLN A 69 8.075 3.182 19.724 1.00 93.39 H new ATOM 0 HB2 GLN A 69 6.271 1.777 17.703 1.00 93.39 H new ATOM 0 HB3 GLN A 69 5.888 2.229 19.352 1.00 93.39 H new ATOM 0 HG2 GLN A 69 6.099 4.694 18.615 1.00 93.39 H new ATOM 0 HG3 GLN A 69 6.205 4.116 16.964 1.00 93.39 H new ATOM 0 HE21 GLN A 69 3.986 5.586 17.230 1.00 93.39 H new ATOM 0 HE22 GLN A 69 2.542 4.598 17.478 1.00 93.39 H new ATOM 1103 N SER A 70 8.892 0.826 19.948 1.00 67.34 N ATOM 1104 CA SER A 70 9.434 -0.552 20.065 1.00 67.34 C ATOM 1105 C SER A 70 8.478 -1.528 19.391 1.00 67.34 C ATOM 1106 O SER A 70 8.870 -2.351 18.609 1.00 67.34 O ATOM 1107 CB SER A 70 9.510 -0.939 21.544 1.00 67.34 C ATOM 1108 OG SER A 70 8.544 -1.960 21.794 1.00 67.34 O ATOM 0 H SER A 70 8.843 1.346 20.824 1.00 67.34 H new ATOM 0 HA SER A 70 10.419 -0.588 19.600 1.00 67.34 H new ATOM 0 HB2 SER A 70 10.510 -1.295 21.792 1.00 67.34 H new ATOM 0 HB3 SER A 70 9.315 -0.071 22.173 1.00 67.34 H new ATOM 0 HG SER A 70 8.581 -2.221 22.738 1.00 67.34 H new ATOM 1114 N SER A 71 7.210 -1.441 19.697 1.00 68.68 N ATOM 1115 CA SER A 71 6.225 -2.384 19.078 1.00 68.68 C ATOM 1116 C SER A 71 6.523 -2.494 17.595 1.00 68.68 C ATOM 1117 O SER A 71 6.570 -3.571 17.034 1.00 68.68 O ATOM 1118 CB SER A 71 4.810 -1.853 19.296 1.00 68.68 C ATOM 1119 OG SER A 71 4.028 -2.078 18.129 1.00 68.68 O ATOM 0 H SER A 71 6.813 -0.762 20.346 1.00 68.68 H new ATOM 0 HA SER A 71 6.304 -3.369 19.537 1.00 68.68 H new ATOM 0 HB2 SER A 71 4.353 -2.349 20.153 1.00 68.68 H new ATOM 0 HB3 SER A 71 4.842 -0.788 19.524 1.00 68.68 H new ATOM 0 HG SER A 71 3.120 -1.737 18.273 1.00 68.68 H new ATOM 1125 N ASN A 72 6.758 -1.400 16.952 1.00 33.83 N ATOM 1126 CA ASN A 72 7.083 -1.492 15.512 1.00 33.83 C ATOM 1127 C ASN A 72 8.484 -2.109 15.376 1.00 33.83 C ATOM 1128 O ASN A 72 8.758 -2.832 14.442 1.00 33.83 O ATOM 1129 CB ASN A 72 6.998 -0.112 14.864 1.00 33.83 C ATOM 1130 CG ASN A 72 5.547 0.376 14.954 1.00 33.83 C ATOM 1131 OD1 ASN A 72 4.677 -0.353 15.391 1.00 33.83 O ATOM 1132 ND2 ASN A 72 5.237 1.583 14.556 1.00 33.83 N ATOM 0 H ASN A 72 6.741 -0.460 17.349 1.00 33.83 H new ATOM 0 HA ASN A 72 6.366 -2.128 14.993 1.00 33.83 H new ATOM 0 HB2 ASN A 72 7.665 0.586 15.370 1.00 33.83 H new ATOM 0 HB3 ASN A 72 7.318 -0.161 13.823 1.00 33.83 H new ATOM 0 HD21 ASN A 72 4.271 1.907 14.613 1.00 33.83 H new ATOM 0 HD22 ASN A 72 5.961 2.200 14.188 1.00 33.83 H new ATOM 1139 N LEU A 73 9.335 -1.924 16.359 1.00 75.65 N ATOM 1140 CA LEU A 73 10.670 -2.595 16.317 1.00 75.65 C ATOM 1141 C LEU A 73 10.420 -4.090 16.530 1.00 75.65 C ATOM 1142 O LEU A 73 10.721 -4.894 15.675 1.00 75.65 O ATOM 1143 CB LEU A 73 11.594 -2.016 17.414 1.00 75.65 C ATOM 1144 CG LEU A 73 12.890 -2.836 17.583 1.00 75.65 C ATOM 1145 CD1 LEU A 73 13.774 -2.723 16.341 1.00 75.65 C ATOM 1146 CD2 LEU A 73 13.674 -2.291 18.787 1.00 75.65 C ATOM 0 H LEU A 73 9.163 -1.343 17.180 1.00 75.65 H new ATOM 0 HA LEU A 73 11.170 -2.428 15.363 1.00 75.65 H new ATOM 0 HB2 LEU A 73 11.849 -0.986 17.165 1.00 75.65 H new ATOM 0 HB3 LEU A 73 11.057 -1.991 18.362 1.00 75.65 H new ATOM 0 HG LEU A 73 12.619 -3.881 17.734 1.00 75.65 H new ATOM 0 HD11 LEU A 73 14.681 -3.310 16.485 1.00 75.65 H new ATOM 0 HD12 LEU A 73 13.232 -3.100 15.473 1.00 75.65 H new ATOM 0 HD13 LEU A 73 14.040 -1.679 16.177 1.00 75.65 H new ATOM 0 HD21 LEU A 73 14.592 -2.865 18.914 1.00 75.65 H new ATOM 0 HD22 LEU A 73 13.922 -1.243 18.616 1.00 75.65 H new ATOM 0 HD23 LEU A 73 13.065 -2.377 19.687 1.00 75.65 H new ATOM 1158 N ILE A 74 9.840 -4.481 17.624 1.00 27.72 N ATOM 1159 CA ILE A 74 9.560 -5.933 17.839 1.00 27.72 C ATOM 1160 C ILE A 74 8.922 -6.537 16.572 1.00 27.72 C ATOM 1161 O ILE A 74 9.415 -7.516 16.038 1.00 27.72 O ATOM 1162 CB ILE A 74 8.607 -6.086 19.032 1.00 27.72 C ATOM 1163 CG1 ILE A 74 9.275 -5.537 20.298 1.00 27.72 C ATOM 1164 CG2 ILE A 74 8.268 -7.559 19.258 1.00 27.72 C ATOM 1165 CD1 ILE A 74 8.240 -5.403 21.423 1.00 27.72 C ATOM 0 H ILE A 74 9.546 -3.864 18.381 1.00 27.72 H new ATOM 0 HA ILE A 74 10.491 -6.461 18.046 1.00 27.72 H new ATOM 0 HB ILE A 74 7.693 -5.532 18.817 1.00 27.72 H new ATOM 0 HG12 ILE A 74 10.080 -6.201 20.611 1.00 27.72 H new ATOM 0 HG13 ILE A 74 9.725 -4.566 20.090 1.00 27.72 H new ATOM 0 HG21 ILE A 74 7.591 -7.650 20.108 1.00 27.72 H new ATOM 0 HG22 ILE A 74 7.788 -7.963 18.367 1.00 27.72 H new ATOM 0 HG23 ILE A 74 9.183 -8.116 19.461 1.00 27.72 H new ATOM 0 HD11 ILE A 74 8.724 -5.012 22.318 1.00 27.72 H new ATOM 0 HD12 ILE A 74 7.449 -4.721 21.111 1.00 27.72 H new ATOM 0 HD13 ILE A 74 7.810 -6.381 21.640 1.00 27.72 H new ATOM 1177 N THR A 75 7.846 -5.993 16.060 1.00 95.20 N ATOM 1178 CA THR A 75 7.256 -6.619 14.827 1.00 95.20 C ATOM 1179 C THR A 75 8.274 -6.545 13.698 1.00 95.20 C ATOM 1180 O THR A 75 8.463 -7.474 12.939 1.00 95.20 O ATOM 1181 CB THR A 75 5.971 -5.890 14.395 1.00 95.20 C ATOM 1182 OG1 THR A 75 4.896 -6.281 15.235 1.00 95.20 O ATOM 1183 CG2 THR A 75 5.619 -6.248 12.939 1.00 95.20 C ATOM 0 H THR A 75 7.362 -5.172 16.423 1.00 95.20 H new ATOM 0 HA THR A 75 7.006 -7.656 15.051 1.00 95.20 H new ATOM 0 HB THR A 75 6.137 -4.816 14.475 1.00 95.20 H new ATOM 0 HG1 THR A 75 4.079 -5.815 14.960 1.00 95.20 H new ATOM 0 HG21 THR A 75 4.708 -5.726 12.646 1.00 95.20 H new ATOM 0 HG22 THR A 75 6.436 -5.948 12.283 1.00 95.20 H new ATOM 0 HG23 THR A 75 5.463 -7.324 12.856 1.00 95.20 H new ATOM 1191 N HIS A 76 8.916 -5.428 13.562 1.00 66.30 N ATOM 1192 CA HIS A 76 9.904 -5.258 12.477 1.00 66.30 C ATOM 1193 C HIS A 76 11.016 -6.331 12.620 1.00 66.30 C ATOM 1194 O HIS A 76 11.404 -7.004 11.656 1.00 66.30 O ATOM 1195 CB HIS A 76 10.445 -3.819 12.602 1.00 66.30 C ATOM 1196 CG HIS A 76 11.588 -3.596 11.676 1.00 66.30 C ATOM 1197 ND1 HIS A 76 11.483 -2.840 10.499 1.00 66.30 N ATOM 1198 CD2 HIS A 76 12.870 -4.044 11.731 1.00 66.30 C ATOM 1199 CE1 HIS A 76 12.693 -2.876 9.894 1.00 66.30 C ATOM 1200 NE2 HIS A 76 13.540 -3.593 10.629 1.00 66.30 N ATOM 0 H HIS A 76 8.796 -4.615 14.166 1.00 66.30 H new ATOM 0 HA HIS A 76 9.469 -5.396 11.487 1.00 66.30 H new ATOM 0 HB2 HIS A 76 9.649 -3.107 12.381 1.00 66.30 H new ATOM 0 HB3 HIS A 76 10.762 -3.634 13.628 1.00 66.30 H new ATOM 0 HD1 HIS A 76 10.651 -2.355 10.163 1.00 66.30 H new ATOM 0 HD2 HIS A 76 13.290 -4.655 12.516 1.00 66.30 H new ATOM 0 HE1 HIS A 76 12.935 -2.396 8.957 1.00 66.30 H new ATOM 1208 N SER A 77 11.520 -6.533 13.810 1.00 87.23 N ATOM 1209 CA SER A 77 12.558 -7.576 13.978 1.00 87.23 C ATOM 1210 C SER A 77 11.896 -8.936 13.780 1.00 87.23 C ATOM 1211 O SER A 77 12.480 -9.853 13.248 1.00 87.23 O ATOM 1212 CB SER A 77 13.185 -7.516 15.375 1.00 87.23 C ATOM 1213 OG SER A 77 13.942 -8.705 15.573 1.00 87.23 O ATOM 0 H SER A 77 11.259 -6.027 14.656 1.00 87.23 H new ATOM 0 HA SER A 77 13.351 -7.414 13.248 1.00 87.23 H new ATOM 0 HB2 SER A 77 13.825 -6.638 15.467 1.00 87.23 H new ATOM 0 HB3 SER A 77 12.410 -7.427 16.136 1.00 87.23 H new ATOM 0 HG SER A 77 14.354 -8.686 16.462 1.00 87.23 H new ATOM 1219 N ARG A 78 10.645 -9.062 14.183 1.00 73.27 N ATOM 1220 CA ARG A 78 9.937 -10.366 13.980 1.00 73.27 C ATOM 1221 C ARG A 78 10.129 -10.740 12.509 1.00 73.27 C ATOM 1222 O ARG A 78 10.398 -11.879 12.154 1.00 73.27 O ATOM 1223 CB ARG A 78 8.431 -10.240 14.297 1.00 73.27 C ATOM 1224 CG ARG A 78 8.180 -10.398 15.807 1.00 73.27 C ATOM 1225 CD ARG A 78 6.683 -10.188 16.119 1.00 73.27 C ATOM 1226 NE ARG A 78 6.180 -11.326 16.946 1.00 73.27 N ATOM 1227 CZ ARG A 78 6.543 -11.438 18.194 1.00 73.27 C ATOM 1228 NH1 ARG A 78 7.303 -10.528 18.734 1.00 73.27 N ATOM 1229 NH2 ARG A 78 6.134 -12.452 18.908 1.00 73.27 N ATOM 0 H ARG A 78 10.097 -8.330 14.635 1.00 73.27 H new ATOM 0 HA ARG A 78 10.342 -11.127 14.647 1.00 73.27 H new ATOM 0 HB2 ARG A 78 8.063 -9.270 13.961 1.00 73.27 H new ATOM 0 HB3 ARG A 78 7.874 -11.000 13.749 1.00 73.27 H new ATOM 0 HG2 ARG A 78 8.492 -11.390 16.134 1.00 73.27 H new ATOM 0 HG3 ARG A 78 8.780 -9.676 16.361 1.00 73.27 H new ATOM 0 HD2 ARG A 78 6.540 -9.247 16.651 1.00 73.27 H new ATOM 0 HD3 ARG A 78 6.114 -10.119 15.192 1.00 73.27 H new ATOM 0 HE ARG A 78 5.552 -12.016 16.534 1.00 73.27 H new ATOM 0 HH11 ARG A 78 7.614 -9.729 18.181 1.00 73.27 H new ATOM 0 HH12 ARG A 78 7.587 -10.614 19.710 1.00 73.27 H new ATOM 0 HH21 ARG A 78 5.529 -13.159 18.490 1.00 73.27 H new ATOM 0 HH22 ARG A 78 6.419 -12.537 19.884 1.00 73.27 H new ATOM 1243 N LYS A 79 10.028 -9.775 11.632 1.00 80.85 N ATOM 1244 CA LYS A 79 10.239 -10.100 10.209 1.00 80.85 C ATOM 1245 C LYS A 79 11.684 -10.547 10.022 1.00 80.85 C ATOM 1246 O LYS A 79 11.939 -11.542 9.375 1.00 80.85 O ATOM 1247 CB LYS A 79 9.926 -8.903 9.306 1.00 80.85 C ATOM 1248 CG LYS A 79 8.475 -8.457 9.522 1.00 80.85 C ATOM 1249 CD LYS A 79 8.240 -7.115 8.819 1.00 80.85 C ATOM 1250 CE LYS A 79 6.792 -6.664 9.039 1.00 80.85 C ATOM 1251 NZ LYS A 79 5.899 -7.335 8.052 1.00 80.85 N ATOM 0 H LYS A 79 9.813 -8.800 11.842 1.00 80.85 H new ATOM 0 HA LYS A 79 9.559 -10.902 9.923 1.00 80.85 H new ATOM 0 HB2 LYS A 79 10.606 -8.081 9.528 1.00 80.85 H new ATOM 0 HB3 LYS A 79 10.082 -9.173 8.261 1.00 80.85 H new ATOM 0 HG2 LYS A 79 7.790 -9.209 9.130 1.00 80.85 H new ATOM 0 HG3 LYS A 79 8.268 -8.362 10.588 1.00 80.85 H new ATOM 0 HD2 LYS A 79 8.928 -6.364 9.208 1.00 80.85 H new ATOM 0 HD3 LYS A 79 8.443 -7.212 7.752 1.00 80.85 H new ATOM 0 HE2 LYS A 79 6.476 -6.907 10.053 1.00 80.85 H new ATOM 0 HE3 LYS A 79 6.718 -5.582 8.933 1.00 80.85 H new ATOM 0 HZ1 LYS A 79 4.918 -7.026 8.205 1.00 80.85 H new ATOM 0 HZ2 LYS A 79 6.195 -7.082 7.088 1.00 80.85 H new ATOM 0 HZ3 LYS A 79 5.960 -8.366 8.173 1.00 80.85 H new ATOM 1265 N HIS A 80 12.650 -9.865 10.588 1.00 46.01 N ATOM 1266 CA HIS A 80 14.044 -10.385 10.388 1.00 46.01 C ATOM 1267 C HIS A 80 14.139 -11.783 11.020 1.00 46.01 C ATOM 1268 O HIS A 80 14.843 -12.650 10.534 1.00 46.01 O ATOM 1269 CB HIS A 80 15.096 -9.499 11.051 1.00 46.01 C ATOM 1270 CG HIS A 80 15.195 -8.163 10.376 1.00 46.01 C ATOM 1271 ND1 HIS A 80 15.320 -7.989 8.987 1.00 46.01 N ATOM 1272 CD2 HIS A 80 15.219 -6.914 10.910 1.00 46.01 C ATOM 1273 CE1 HIS A 80 15.410 -6.652 8.752 1.00 46.01 C ATOM 1274 NE2 HIS A 80 15.364 -5.992 9.901 1.00 46.01 N ATOM 0 H HIS A 80 12.550 -9.019 11.149 1.00 46.01 H new ATOM 0 HA HIS A 80 14.239 -10.404 9.316 1.00 46.01 H new ATOM 0 HB2 HIS A 80 14.845 -9.359 12.102 1.00 46.01 H new ATOM 0 HB3 HIS A 80 16.065 -9.997 11.019 1.00 46.01 H new ATOM 0 HD1 HIS A 80 15.340 -8.729 8.285 1.00 46.01 H new ATOM 0 HD2 HIS A 80 15.137 -6.682 11.962 1.00 46.01 H new ATOM 0 HE1 HIS A 80 15.505 -6.197 7.777 1.00 46.01 H new ATOM 1282 N THR A 81 13.453 -12.003 12.118 1.00 89.50 N ATOM 1283 CA THR A 81 13.525 -13.333 12.786 1.00 89.50 C ATOM 1284 C THR A 81 12.346 -14.199 12.343 1.00 89.50 C ATOM 1285 O THR A 81 12.029 -15.189 12.972 1.00 89.50 O ATOM 1286 CB THR A 81 13.428 -13.173 14.305 1.00 89.50 C ATOM 1287 OG1 THR A 81 12.136 -12.680 14.619 1.00 89.50 O ATOM 1288 CG2 THR A 81 14.478 -12.187 14.813 1.00 89.50 C ATOM 0 H THR A 81 12.850 -11.319 12.575 1.00 89.50 H new ATOM 0 HA THR A 81 14.473 -13.795 12.513 1.00 89.50 H new ATOM 0 HB THR A 81 13.602 -14.138 14.781 1.00 89.50 H new ATOM 0 HG1 THR A 81 12.054 -12.572 15.590 1.00 89.50 H new ATOM 0 HG21 THR A 81 14.391 -12.088 15.895 1.00 89.50 H new ATOM 0 HG22 THR A 81 15.473 -12.553 14.561 1.00 89.50 H new ATOM 0 HG23 THR A 81 14.320 -11.215 14.346 1.00 89.50 H new ATOM 1296 N GLY A 82 11.723 -13.872 11.253 1.00 8.65 N ATOM 1297 CA GLY A 82 10.579 -14.702 10.768 1.00 8.65 C ATOM 1298 C GLY A 82 10.928 -15.300 9.406 1.00 8.65 C ATOM 0 H GLY A 82 11.952 -13.066 10.671 1.00 8.65 H new ATOM 0 HA2 GLY A 82 10.363 -15.497 11.482 1.00 8.65 H new ATOM 0 HA3 GLY A 82 9.680 -14.091 10.690 1.00 8.65 H new