USER MOD reduce.3.24.130724 H: found=0, std=0, add=685, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 679 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 56 HIS : no HD1:sc= 0.385 K(o=0.39,f=-4.3!) USER MOD Set 1.2: A 66 ASN : amide:sc= 0 K(o=0.39,f=-1.3) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN : amide:sc= -0.296 X(o=-0.3,f=-0.0011) USER MOD Single : A -1 SER OG : rot 180:sc= 0 USER MOD Single : A -2 SER OG : rot 180:sc= 0 USER MOD Single : A -4 SER OG : rot 180:sc= 0 USER MOD Single : A -5 SER OG : rot 180:sc= 0 USER MOD Single : A -6 GLY N :NH3+ 144:sc= 0.0274 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.368 USER MOD Single : A 16 GLN : amide:sc= -0.166 K(o=-0.17,f=-2.2!) USER MOD Single : A 20 SER OG : rot 76:sc= 0.687 USER MOD Single : A 24 GLN :FLIP amide:sc= 0 F(o=-0.53,f=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 CYS SG : rot -156:sc= 0.498 USER MOD Single : A 35 LYS NZ :NH3+ 165:sc= -0.12 (180deg=-0.469) USER MOD Single : A 36 ASN : amide:sc= -0.287 K(o=-0.29,f=-0.97) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 HIS : no HE2:sc= -3.37 K(o=-3.4,f=-10!) USER MOD Single : A 45 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.129) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= 0.618 K(o=0.62,f=0) USER MOD Single : A 57 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 HIS :FLIP no HD1:sc= -1.87 F(o=-2.8!,f=-1.9) USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 SER OG : rot 160:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ -157:sc= -0.0467 (180deg=-0.293) USER MOD Single : A 72 ASN : amide:sc=-0.00161 K(o=-0.0016,f=-1.2) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -6 -1.294 24.894 17.895 1.00 0.00 N ATOM 2 CA GLY A -6 -1.988 24.890 16.621 1.00 0.00 C ATOM 3 C GLY A -6 -1.044 25.061 15.447 1.00 0.00 C ATOM 4 O GLY A -6 -0.008 25.714 15.565 1.00 0.00 O ATOM 0 H1 GLY A -6 -1.882 25.369 18.609 1.00 0.00 H new ATOM 0 H2 GLY A -6 -1.110 23.915 18.193 1.00 0.00 H new ATOM 0 H3 GLY A -6 -0.391 25.401 17.797 1.00 0.00 H new ATOM 0 HA2 GLY A -6 -2.534 23.953 16.511 1.00 0.00 H new ATOM 0 HA3 GLY A -6 -2.726 25.692 16.610 1.00 0.00 H new ATOM 8 N SER A -5 -1.402 24.470 14.311 1.00 0.00 N ATOM 9 CA SER A -5 -0.577 24.556 13.112 1.00 0.00 C ATOM 10 C SER A -5 -1.366 25.153 11.951 1.00 0.00 C ATOM 11 O SER A -5 -2.356 24.579 11.498 1.00 0.00 O ATOM 12 CB SER A -5 -0.053 23.171 12.728 1.00 0.00 C ATOM 13 OG SER A -5 0.987 22.759 13.599 1.00 0.00 O ATOM 0 H SER A -5 -2.258 23.927 14.196 1.00 0.00 H new ATOM 0 HA SER A -5 0.268 25.210 13.328 1.00 0.00 H new ATOM 0 HB2 SER A -5 -0.868 22.448 12.762 1.00 0.00 H new ATOM 0 HB3 SER A -5 0.314 23.189 11.702 1.00 0.00 H new ATOM 0 HG SER A -5 1.303 21.870 13.333 1.00 0.00 H new ATOM 19 N SER A -4 -0.919 26.310 11.473 1.00 0.00 N ATOM 20 CA SER A -4 -1.585 26.989 10.367 1.00 0.00 C ATOM 21 C SER A -4 -1.285 26.292 9.043 1.00 0.00 C ATOM 22 O SER A -4 -0.204 25.736 8.852 1.00 0.00 O ATOM 23 CB SER A -4 -1.143 28.452 10.298 1.00 0.00 C ATOM 24 OG SER A -4 -1.881 29.251 11.206 1.00 0.00 O ATOM 0 H SER A -4 -0.099 26.797 11.834 1.00 0.00 H new ATOM 0 HA SER A -4 -2.660 26.950 10.543 1.00 0.00 H new ATOM 0 HB2 SER A -4 -0.080 28.525 10.526 1.00 0.00 H new ATOM 0 HB3 SER A -4 -1.278 28.829 9.284 1.00 0.00 H new ATOM 0 HG SER A -4 -1.579 30.181 11.144 1.00 0.00 H new ATOM 30 N GLY A -3 -2.251 26.328 8.130 1.00 0.00 N ATOM 31 CA GLY A -3 -2.073 25.697 6.836 1.00 0.00 C ATOM 32 C GLY A -3 -3.381 25.217 6.239 1.00 0.00 C ATOM 33 O GLY A -3 -3.745 24.050 6.381 1.00 0.00 O ATOM 0 H GLY A -3 -3.154 26.783 8.264 1.00 0.00 H new ATOM 0 HA2 GLY A -3 -1.603 26.404 6.152 1.00 0.00 H new ATOM 0 HA3 GLY A -3 -1.392 24.852 6.938 1.00 0.00 H new ATOM 37 N SER A -2 -4.091 26.121 5.571 1.00 0.00 N ATOM 38 CA SER A -2 -5.370 25.785 4.955 1.00 0.00 C ATOM 39 C SER A -2 -5.160 25.059 3.630 1.00 0.00 C ATOM 40 O SER A -2 -5.768 24.019 3.376 1.00 0.00 O ATOM 41 CB SER A -2 -6.200 27.050 4.731 1.00 0.00 C ATOM 42 OG SER A -2 -6.752 27.520 5.949 1.00 0.00 O ATOM 0 H SER A -2 -3.803 27.091 5.443 1.00 0.00 H new ATOM 0 HA SER A -2 -5.908 25.121 5.632 1.00 0.00 H new ATOM 0 HB2 SER A -2 -5.575 27.825 4.288 1.00 0.00 H new ATOM 0 HB3 SER A -2 -7.001 26.842 4.021 1.00 0.00 H new ATOM 0 HG SER A -2 -7.277 28.330 5.779 1.00 0.00 H new ATOM 48 N SER A -1 -4.295 25.615 2.788 1.00 0.00 N ATOM 49 CA SER A -1 -4.007 25.024 1.486 1.00 0.00 C ATOM 50 C SER A -1 -2.713 24.217 1.530 1.00 0.00 C ATOM 51 O SER A -1 -1.889 24.295 0.620 1.00 0.00 O ATOM 52 CB SER A -1 -3.905 26.115 0.419 1.00 0.00 C ATOM 53 OG SER A -1 -2.949 27.096 0.781 1.00 0.00 O ATOM 0 H SER A -1 -3.781 26.474 2.984 1.00 0.00 H new ATOM 0 HA SER A -1 -4.826 24.351 1.231 1.00 0.00 H new ATOM 0 HB2 SER A -1 -3.629 25.669 -0.536 1.00 0.00 H new ATOM 0 HB3 SER A -1 -4.879 26.585 0.281 1.00 0.00 H new ATOM 0 HG SER A -1 -2.902 27.781 0.082 1.00 0.00 H new ATOM 59 N GLY A 0 -2.543 23.442 2.597 1.00 0.00 N ATOM 60 CA GLY A 0 -1.347 22.632 2.741 1.00 0.00 C ATOM 61 C GLY A 0 -1.584 21.179 2.378 1.00 0.00 C ATOM 62 O GLY A 0 -2.708 20.685 2.469 1.00 0.00 O ATOM 0 H GLY A 0 -3.211 23.361 3.363 1.00 0.00 H new ATOM 0 HA2 GLY A 0 -0.559 23.038 2.107 1.00 0.00 H new ATOM 0 HA3 GLY A 0 -0.992 22.693 3.770 1.00 0.00 H new ATOM 66 N MET A 1 -0.524 20.494 1.963 1.00 0.00 N ATOM 67 CA MET A 1 -0.622 19.089 1.584 1.00 0.00 C ATOM 68 C MET A 1 -1.447 18.308 2.602 1.00 0.00 C ATOM 69 O MET A 1 -1.733 18.800 3.694 1.00 0.00 O ATOM 70 CB MET A 1 0.772 18.473 1.460 1.00 0.00 C ATOM 71 CG MET A 1 1.518 18.386 2.782 1.00 0.00 C ATOM 72 SD MET A 1 2.204 19.972 3.298 1.00 0.00 S ATOM 73 CE MET A 1 3.907 19.790 2.775 1.00 0.00 C ATOM 0 H MET A 1 0.413 20.889 1.880 1.00 0.00 H new ATOM 0 HA MET A 1 -1.122 19.034 0.617 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.682 17.473 1.037 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.360 19.064 0.758 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.841 18.019 3.553 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.324 17.658 2.693 1.00 0.00 H new ATOM 0 HE1 MET A 1 4.463 20.693 3.026 1.00 0.00 H new ATOM 0 HE2 MET A 1 4.354 18.936 3.283 1.00 0.00 H new ATOM 0 HE3 MET A 1 3.942 19.630 1.697 1.00 0.00 H new ATOM 83 N VAL A 2 -1.829 17.088 2.237 1.00 0.00 N ATOM 84 CA VAL A 2 -2.620 16.239 3.119 1.00 0.00 C ATOM 85 C VAL A 2 -2.055 14.824 3.172 1.00 0.00 C ATOM 86 O VAL A 2 -1.988 14.132 2.156 1.00 0.00 O ATOM 87 CB VAL A 2 -4.091 16.176 2.666 1.00 0.00 C ATOM 88 CG1 VAL A 2 -4.929 15.406 3.676 1.00 0.00 C ATOM 89 CG2 VAL A 2 -4.645 17.578 2.460 1.00 0.00 C ATOM 0 H VAL A 2 -1.603 16.666 1.336 1.00 0.00 H new ATOM 0 HA VAL A 2 -2.572 16.684 4.113 1.00 0.00 H new ATOM 0 HB VAL A 2 -4.137 15.648 1.714 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -5.965 15.372 3.339 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -4.544 14.390 3.769 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -4.879 15.903 4.645 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -5.685 17.515 2.140 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -4.586 18.134 3.396 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -4.061 18.091 1.696 1.00 0.00 H new ATOM 99 N LYS A 3 -1.651 14.398 4.364 1.00 0.00 N ATOM 100 CA LYS A 3 -1.093 13.064 4.552 1.00 0.00 C ATOM 101 C LYS A 3 -2.201 12.031 4.725 1.00 0.00 C ATOM 102 O LYS A 3 -3.295 12.350 5.192 1.00 0.00 O ATOM 103 CB LYS A 3 -0.166 13.044 5.769 1.00 0.00 C ATOM 104 CG LYS A 3 0.642 11.764 5.897 1.00 0.00 C ATOM 105 CD LYS A 3 1.238 11.617 7.288 1.00 0.00 C ATOM 106 CE LYS A 3 2.534 12.400 7.424 1.00 0.00 C ATOM 107 NZ LYS A 3 2.819 12.760 8.840 1.00 0.00 N ATOM 0 H LYS A 3 -1.700 14.958 5.215 1.00 0.00 H new ATOM 0 HA LYS A 3 -0.518 12.808 3.662 1.00 0.00 H new ATOM 0 HB2 LYS A 3 0.518 13.891 5.708 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -0.762 13.179 6.672 1.00 0.00 H new ATOM 0 HG2 LYS A 3 0.004 10.907 5.681 1.00 0.00 H new ATOM 0 HG3 LYS A 3 1.441 11.761 5.156 1.00 0.00 H new ATOM 0 HD2 LYS A 3 0.521 11.966 8.031 1.00 0.00 H new ATOM 0 HD3 LYS A 3 1.425 10.563 7.496 1.00 0.00 H new ATOM 0 HE2 LYS A 3 3.359 11.809 7.027 1.00 0.00 H new ATOM 0 HE3 LYS A 3 2.474 13.308 6.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 3.711 13.293 8.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 2.044 13.346 9.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 2.901 11.893 9.409 1.00 0.00 H new ATOM 121 N LEU A 4 -1.911 10.790 4.348 1.00 0.00 N ATOM 122 CA LEU A 4 -2.882 9.708 4.463 1.00 0.00 C ATOM 123 C LEU A 4 -2.288 8.520 5.212 1.00 0.00 C ATOM 124 O LEU A 4 -1.160 8.105 4.944 1.00 0.00 O ATOM 125 CB LEU A 4 -3.352 9.268 3.076 1.00 0.00 C ATOM 126 CG LEU A 4 -3.986 10.354 2.206 1.00 0.00 C ATOM 127 CD1 LEU A 4 -4.080 9.892 0.760 1.00 0.00 C ATOM 128 CD2 LEU A 4 -5.362 10.728 2.739 1.00 0.00 C ATOM 0 H LEU A 4 -1.011 10.509 3.960 1.00 0.00 H new ATOM 0 HA LEU A 4 -3.737 10.079 5.028 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -2.498 8.853 2.540 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -4.074 8.461 3.198 1.00 0.00 H new ATOM 0 HG LEU A 4 -3.351 11.239 2.242 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -4.534 10.678 0.156 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -3.081 9.675 0.382 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -4.693 8.992 0.705 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -5.799 11.502 2.108 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -6.006 9.849 2.733 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -5.268 11.101 3.759 1.00 0.00 H new ATOM 140 N PHE A 5 -3.054 7.975 6.151 1.00 0.00 N ATOM 141 CA PHE A 5 -2.604 6.833 6.938 1.00 0.00 C ATOM 142 C PHE A 5 -3.099 5.524 6.330 1.00 0.00 C ATOM 143 O PHE A 5 -4.304 5.302 6.205 1.00 0.00 O ATOM 144 CB PHE A 5 -3.096 6.956 8.382 1.00 0.00 C ATOM 145 CG PHE A 5 -2.892 5.709 9.193 1.00 0.00 C ATOM 146 CD1 PHE A 5 -3.721 4.612 9.023 1.00 0.00 C ATOM 147 CD2 PHE A 5 -1.870 5.633 10.126 1.00 0.00 C ATOM 148 CE1 PHE A 5 -3.535 3.463 9.769 1.00 0.00 C ATOM 149 CE2 PHE A 5 -1.679 4.487 10.874 1.00 0.00 C ATOM 150 CZ PHE A 5 -2.512 3.400 10.695 1.00 0.00 C ATOM 0 H PHE A 5 -3.990 8.306 6.386 1.00 0.00 H new ATOM 0 HA PHE A 5 -1.514 6.827 6.932 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -2.576 7.783 8.865 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -4.157 7.206 8.376 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -4.522 4.655 8.299 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -1.215 6.480 10.270 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -4.189 2.615 9.628 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -0.879 4.441 11.598 1.00 0.00 H new ATOM 0 HZ PHE A 5 -2.364 2.503 11.278 1.00 0.00 H new ATOM 160 N ILE A 6 -2.161 4.662 5.952 1.00 0.00 N ATOM 161 CA ILE A 6 -2.501 3.376 5.358 1.00 0.00 C ATOM 162 C ILE A 6 -1.950 2.223 6.190 1.00 0.00 C ATOM 163 O ILE A 6 -0.754 2.162 6.471 1.00 0.00 O ATOM 164 CB ILE A 6 -1.961 3.260 3.920 1.00 0.00 C ATOM 165 CG1 ILE A 6 -2.420 4.455 3.082 1.00 0.00 C ATOM 166 CG2 ILE A 6 -2.418 1.955 3.286 1.00 0.00 C ATOM 167 CD1 ILE A 6 -1.962 4.394 1.641 1.00 0.00 C ATOM 0 H ILE A 6 -1.160 4.831 6.047 1.00 0.00 H new ATOM 0 HA ILE A 6 -3.589 3.317 5.335 1.00 0.00 H new ATOM 0 HB ILE A 6 -0.872 3.262 3.956 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -3.508 4.509 3.107 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -2.045 5.372 3.536 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -2.028 1.888 2.270 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -2.046 1.115 3.873 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -3.507 1.925 3.259 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -2.324 5.273 1.107 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -0.873 4.371 1.606 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -2.359 3.495 1.171 1.00 0.00 H new ATOM 179 N GLY A 7 -2.832 1.307 6.580 1.00 0.00 N ATOM 180 CA GLY A 7 -2.415 0.167 7.375 1.00 0.00 C ATOM 181 C GLY A 7 -2.783 -1.155 6.730 1.00 0.00 C ATOM 182 O GLY A 7 -3.414 -1.183 5.674 1.00 0.00 O ATOM 0 H GLY A 7 -3.827 1.334 6.359 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -1.336 0.207 7.524 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.876 0.227 8.361 1.00 0.00 H new ATOM 186 N ASN A 8 -2.387 -2.252 7.366 1.00 0.00 N ATOM 187 CA ASN A 8 -2.677 -3.584 6.847 1.00 0.00 C ATOM 188 C ASN A 8 -2.113 -3.753 5.439 1.00 0.00 C ATOM 189 O ASN A 8 -2.793 -4.255 4.543 1.00 0.00 O ATOM 190 CB ASN A 8 -4.187 -3.832 6.837 1.00 0.00 C ATOM 191 CG ASN A 8 -4.530 -5.309 6.852 1.00 0.00 C ATOM 192 OD1 ASN A 8 -4.502 -5.954 7.900 1.00 0.00 O ATOM 193 ND2 ASN A 8 -4.856 -5.853 5.685 1.00 0.00 N ATOM 0 H ASN A 8 -1.864 -2.245 8.242 1.00 0.00 H new ATOM 0 HA ASN A 8 -2.200 -4.314 7.501 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -4.638 -3.348 7.704 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -4.623 -3.370 5.951 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -5.096 -6.843 5.633 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -4.866 -5.281 4.841 1.00 0.00 H new ATOM 200 N LEU A 9 -0.867 -3.333 5.253 1.00 0.00 N ATOM 201 CA LEU A 9 -0.210 -3.438 3.954 1.00 0.00 C ATOM 202 C LEU A 9 0.511 -4.775 3.816 1.00 0.00 C ATOM 203 O LEU A 9 1.092 -5.297 4.768 1.00 0.00 O ATOM 204 CB LEU A 9 0.781 -2.289 3.767 1.00 0.00 C ATOM 205 CG LEU A 9 0.170 -0.910 3.515 1.00 0.00 C ATOM 206 CD1 LEU A 9 1.262 0.140 3.374 1.00 0.00 C ATOM 207 CD2 LEU A 9 -0.711 -0.936 2.275 1.00 0.00 C ATOM 0 H LEU A 9 -0.291 -2.917 5.985 1.00 0.00 H new ATOM 0 HA LEU A 9 -0.976 -3.377 3.181 1.00 0.00 H new ATOM 0 HB2 LEU A 9 1.409 -2.229 4.656 1.00 0.00 H new ATOM 0 HB3 LEU A 9 1.435 -2.533 2.930 1.00 0.00 H new ATOM 0 HG LEU A 9 -0.450 -0.646 4.372 1.00 0.00 H new ATOM 0 HD11 LEU A 9 0.808 1.115 3.195 1.00 0.00 H new ATOM 0 HD12 LEU A 9 1.852 0.177 4.290 1.00 0.00 H new ATOM 0 HD13 LEU A 9 1.909 -0.118 2.536 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -1.138 0.054 2.111 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -0.113 -1.221 1.410 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -1.515 -1.659 2.415 1.00 0.00 H new ATOM 219 N PRO A 10 0.477 -5.343 2.602 1.00 0.00 N ATOM 220 CA PRO A 10 1.126 -6.625 2.309 1.00 0.00 C ATOM 221 C PRO A 10 2.635 -6.487 2.141 1.00 0.00 C ATOM 222 O PRO A 10 3.204 -5.429 2.411 1.00 0.00 O ATOM 223 CB PRO A 10 0.478 -7.058 0.991 1.00 0.00 C ATOM 224 CG PRO A 10 0.086 -5.784 0.326 1.00 0.00 C ATOM 225 CD PRO A 10 -0.196 -4.778 1.420 1.00 0.00 C ATOM 0 HA PRO A 10 0.996 -7.342 3.120 1.00 0.00 H new ATOM 0 HB2 PRO A 10 1.174 -7.628 0.376 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -0.388 -7.696 1.166 1.00 0.00 H new ATOM 0 HG2 PRO A 10 0.884 -5.429 -0.327 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -0.795 -5.931 -0.298 1.00 0.00 H new ATOM 0 HD2 PRO A 10 0.198 -3.793 1.169 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -1.266 -4.660 1.588 1.00 0.00 H new ATOM 233 N ARG A 11 3.277 -7.561 1.693 1.00 0.00 N ATOM 234 CA ARG A 11 4.720 -7.558 1.490 1.00 0.00 C ATOM 235 C ARG A 11 5.068 -7.145 0.063 1.00 0.00 C ATOM 236 O ARG A 11 6.132 -6.579 -0.187 1.00 0.00 O ATOM 237 CB ARG A 11 5.301 -8.942 1.787 1.00 0.00 C ATOM 238 CG ARG A 11 5.644 -9.158 3.252 1.00 0.00 C ATOM 239 CD ARG A 11 5.685 -10.637 3.603 1.00 0.00 C ATOM 240 NE ARG A 11 6.111 -10.860 4.982 1.00 0.00 N ATOM 241 CZ ARG A 11 7.373 -10.762 5.386 1.00 0.00 C ATOM 242 NH1 ARG A 11 8.326 -10.445 4.522 1.00 0.00 N ATOM 243 NH2 ARG A 11 7.682 -10.980 6.658 1.00 0.00 N ATOM 0 H ARG A 11 2.820 -8.444 1.464 1.00 0.00 H new ATOM 0 HA ARG A 11 5.156 -6.833 2.177 1.00 0.00 H new ATOM 0 HB2 ARG A 11 4.585 -9.702 1.475 1.00 0.00 H new ATOM 0 HB3 ARG A 11 6.200 -9.086 1.187 1.00 0.00 H new ATOM 0 HG2 ARG A 11 6.610 -8.704 3.471 1.00 0.00 H new ATOM 0 HG3 ARG A 11 4.906 -8.655 3.877 1.00 0.00 H new ATOM 0 HD2 ARG A 11 4.697 -11.073 3.454 1.00 0.00 H new ATOM 0 HD3 ARG A 11 6.366 -11.152 2.925 1.00 0.00 H new ATOM 0 HE ARG A 11 5.401 -11.104 5.673 1.00 0.00 H new ATOM 0 HH11 ARG A 11 8.092 -10.275 3.544 1.00 0.00 H new ATOM 0 HH12 ARG A 11 9.294 -10.370 4.835 1.00 0.00 H new ATOM 0 HH21 ARG A 11 6.951 -11.223 7.326 1.00 0.00 H new ATOM 0 HH22 ARG A 11 8.651 -10.905 6.968 1.00 0.00 H new ATOM 257 N GLU A 12 4.163 -7.431 -0.868 1.00 0.00 N ATOM 258 CA GLU A 12 4.375 -7.090 -2.269 1.00 0.00 C ATOM 259 C GLU A 12 4.146 -5.600 -2.507 1.00 0.00 C ATOM 260 O GLU A 12 4.662 -5.027 -3.466 1.00 0.00 O ATOM 261 CB GLU A 12 3.443 -7.910 -3.164 1.00 0.00 C ATOM 262 CG GLU A 12 3.588 -9.411 -2.979 1.00 0.00 C ATOM 263 CD GLU A 12 2.957 -9.904 -1.691 1.00 0.00 C ATOM 264 OE1 GLU A 12 1.714 -9.855 -1.582 1.00 0.00 O ATOM 265 OE2 GLU A 12 3.708 -10.338 -0.792 1.00 0.00 O ATOM 0 H GLU A 12 3.276 -7.898 -0.677 1.00 0.00 H new ATOM 0 HA GLU A 12 5.409 -7.326 -2.521 1.00 0.00 H new ATOM 0 HB2 GLU A 12 2.411 -7.625 -2.958 1.00 0.00 H new ATOM 0 HB3 GLU A 12 3.641 -7.660 -4.206 1.00 0.00 H new ATOM 0 HG2 GLU A 12 3.128 -9.923 -3.824 1.00 0.00 H new ATOM 0 HG3 GLU A 12 4.646 -9.673 -2.985 1.00 0.00 H new ATOM 272 N ALA A 13 3.368 -4.979 -1.627 1.00 0.00 N ATOM 273 CA ALA A 13 3.071 -3.557 -1.739 1.00 0.00 C ATOM 274 C ALA A 13 4.350 -2.738 -1.876 1.00 0.00 C ATOM 275 O ALA A 13 5.306 -2.930 -1.125 1.00 0.00 O ATOM 276 CB ALA A 13 2.268 -3.088 -0.535 1.00 0.00 C ATOM 0 H ALA A 13 2.932 -5.439 -0.828 1.00 0.00 H new ATOM 0 HA ALA A 13 2.476 -3.406 -2.639 1.00 0.00 H new ATOM 0 HB1 ALA A 13 2.054 -2.024 -0.633 1.00 0.00 H new ATOM 0 HB2 ALA A 13 1.332 -3.644 -0.483 1.00 0.00 H new ATOM 0 HB3 ALA A 13 2.843 -3.260 0.375 1.00 0.00 H new ATOM 282 N THR A 14 4.361 -1.824 -2.841 1.00 0.00 N ATOM 283 CA THR A 14 5.523 -0.977 -3.078 1.00 0.00 C ATOM 284 C THR A 14 5.130 0.495 -3.130 1.00 0.00 C ATOM 285 O THR A 14 4.005 0.833 -3.497 1.00 0.00 O ATOM 286 CB THR A 14 6.234 -1.353 -4.392 1.00 0.00 C ATOM 287 OG1 THR A 14 5.288 -1.395 -5.466 1.00 0.00 O ATOM 288 CG2 THR A 14 6.927 -2.701 -4.266 1.00 0.00 C ATOM 0 H THR A 14 3.578 -1.651 -3.471 1.00 0.00 H new ATOM 0 HA THR A 14 6.206 -1.139 -2.244 1.00 0.00 H new ATOM 0 HB THR A 14 6.987 -0.594 -4.602 1.00 0.00 H new ATOM 0 HG1 THR A 14 5.748 -1.633 -6.298 1.00 0.00 H new ATOM 0 HG21 THR A 14 7.422 -2.945 -5.206 1.00 0.00 H new ATOM 0 HG22 THR A 14 7.667 -2.656 -3.467 1.00 0.00 H new ATOM 0 HG23 THR A 14 6.189 -3.469 -4.034 1.00 0.00 H new ATOM 296 N GLU A 15 6.064 1.366 -2.760 1.00 0.00 N ATOM 297 CA GLU A 15 5.813 2.802 -2.765 1.00 0.00 C ATOM 298 C GLU A 15 5.144 3.233 -4.067 1.00 0.00 C ATOM 299 O GLU A 15 4.213 4.038 -4.061 1.00 0.00 O ATOM 300 CB GLU A 15 7.121 3.572 -2.571 1.00 0.00 C ATOM 301 CG GLU A 15 7.581 3.635 -1.125 1.00 0.00 C ATOM 302 CD GLU A 15 9.067 3.913 -0.997 1.00 0.00 C ATOM 303 OE1 GLU A 15 9.539 4.904 -1.592 1.00 0.00 O ATOM 304 OE2 GLU A 15 9.757 3.138 -0.301 1.00 0.00 O ATOM 0 H GLU A 15 7.000 1.102 -2.453 1.00 0.00 H new ATOM 0 HA GLU A 15 5.140 3.030 -1.938 1.00 0.00 H new ATOM 0 HB2 GLU A 15 7.901 3.104 -3.171 1.00 0.00 H new ATOM 0 HB3 GLU A 15 6.995 4.587 -2.948 1.00 0.00 H new ATOM 0 HG2 GLU A 15 7.023 4.413 -0.604 1.00 0.00 H new ATOM 0 HG3 GLU A 15 7.348 2.691 -0.632 1.00 0.00 H new ATOM 311 N GLN A 16 5.627 2.693 -5.181 1.00 0.00 N ATOM 312 CA GLN A 16 5.078 3.022 -6.490 1.00 0.00 C ATOM 313 C GLN A 16 3.629 2.560 -6.605 1.00 0.00 C ATOM 314 O GLN A 16 2.731 3.361 -6.860 1.00 0.00 O ATOM 315 CB GLN A 16 5.919 2.382 -7.596 1.00 0.00 C ATOM 316 CG GLN A 16 6.106 0.883 -7.427 1.00 0.00 C ATOM 317 CD GLN A 16 7.393 0.381 -8.051 1.00 0.00 C ATOM 318 OE1 GLN A 16 8.336 1.146 -8.256 1.00 0.00 O ATOM 319 NE2 GLN A 16 7.439 -0.910 -8.358 1.00 0.00 N ATOM 0 H GLN A 16 6.398 2.025 -5.203 1.00 0.00 H new ATOM 0 HA GLN A 16 5.105 4.106 -6.604 1.00 0.00 H new ATOM 0 HB2 GLN A 16 5.445 2.575 -8.559 1.00 0.00 H new ATOM 0 HB3 GLN A 16 6.898 2.861 -7.621 1.00 0.00 H new ATOM 0 HG2 GLN A 16 6.102 0.638 -6.365 1.00 0.00 H new ATOM 0 HG3 GLN A 16 5.261 0.362 -7.878 1.00 0.00 H new ATOM 0 HE21 GLN A 16 6.634 -1.508 -8.171 1.00 0.00 H new ATOM 0 HE22 GLN A 16 8.279 -1.304 -8.781 1.00 0.00 H new ATOM 328 N GLU A 17 3.410 1.262 -6.414 1.00 0.00 N ATOM 329 CA GLU A 17 2.070 0.694 -6.498 1.00 0.00 C ATOM 330 C GLU A 17 1.071 1.537 -5.710 1.00 0.00 C ATOM 331 O GLU A 17 -0.020 1.840 -6.195 1.00 0.00 O ATOM 332 CB GLU A 17 2.068 -0.743 -5.972 1.00 0.00 C ATOM 333 CG GLU A 17 2.432 -1.777 -7.024 1.00 0.00 C ATOM 334 CD GLU A 17 2.131 -3.194 -6.578 1.00 0.00 C ATOM 335 OE1 GLU A 17 2.669 -3.615 -5.532 1.00 0.00 O ATOM 336 OE2 GLU A 17 1.356 -3.883 -7.275 1.00 0.00 O ATOM 0 H GLU A 17 4.143 0.585 -6.200 1.00 0.00 H new ATOM 0 HA GLU A 17 1.769 0.691 -7.546 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.771 -0.818 -5.142 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.080 -0.974 -5.574 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.883 -1.565 -7.942 1.00 0.00 H new ATOM 0 HG3 GLU A 17 3.493 -1.692 -7.260 1.00 0.00 H new ATOM 343 N ILE A 18 1.453 1.912 -4.494 1.00 0.00 N ATOM 344 CA ILE A 18 0.592 2.721 -3.639 1.00 0.00 C ATOM 345 C ILE A 18 0.463 4.142 -4.176 1.00 0.00 C ATOM 346 O ILE A 18 -0.636 4.603 -4.484 1.00 0.00 O ATOM 347 CB ILE A 18 1.123 2.775 -2.195 1.00 0.00 C ATOM 348 CG1 ILE A 18 1.210 1.365 -1.607 1.00 0.00 C ATOM 349 CG2 ILE A 18 0.233 3.660 -1.336 1.00 0.00 C ATOM 350 CD1 ILE A 18 -0.119 0.644 -1.569 1.00 0.00 C ATOM 0 H ILE A 18 2.352 1.669 -4.079 1.00 0.00 H new ATOM 0 HA ILE A 18 -0.389 2.245 -3.638 1.00 0.00 H new ATOM 0 HB ILE A 18 2.125 3.205 -2.208 1.00 0.00 H new ATOM 0 HG12 ILE A 18 1.916 0.778 -2.194 1.00 0.00 H new ATOM 0 HG13 ILE A 18 1.610 1.426 -0.595 1.00 0.00 H new ATOM 0 HG21 ILE A 18 0.622 3.688 -0.318 1.00 0.00 H new ATOM 0 HG22 ILE A 18 0.219 4.670 -1.747 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -0.780 3.258 -1.327 1.00 0.00 H new ATOM 0 HD11 ILE A 18 0.018 -0.349 -1.141 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -0.822 1.209 -0.958 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -0.512 0.551 -2.582 1.00 0.00 H new ATOM 362 N ARG A 19 1.594 4.832 -4.286 1.00 0.00 N ATOM 363 CA ARG A 19 1.609 6.201 -4.786 1.00 0.00 C ATOM 364 C ARG A 19 0.701 6.345 -6.004 1.00 0.00 C ATOM 365 O ARG A 19 -0.163 7.220 -6.047 1.00 0.00 O ATOM 366 CB ARG A 19 3.035 6.620 -5.147 1.00 0.00 C ATOM 367 CG ARG A 19 3.121 7.991 -5.797 1.00 0.00 C ATOM 368 CD ARG A 19 4.307 8.085 -6.744 1.00 0.00 C ATOM 369 NE ARG A 19 5.526 8.500 -6.055 1.00 0.00 N ATOM 370 CZ ARG A 19 5.827 9.767 -5.792 1.00 0.00 C ATOM 371 NH1 ARG A 19 5.001 10.737 -6.158 1.00 0.00 N ATOM 372 NH2 ARG A 19 6.956 10.064 -5.161 1.00 0.00 N ATOM 0 H ARG A 19 2.512 4.465 -4.035 1.00 0.00 H new ATOM 0 HA ARG A 19 1.235 6.853 -3.997 1.00 0.00 H new ATOM 0 HB2 ARG A 19 3.645 6.617 -4.244 1.00 0.00 H new ATOM 0 HB3 ARG A 19 3.462 5.879 -5.823 1.00 0.00 H new ATOM 0 HG2 ARG A 19 2.200 8.194 -6.344 1.00 0.00 H new ATOM 0 HG3 ARG A 19 3.209 8.756 -5.025 1.00 0.00 H new ATOM 0 HD2 ARG A 19 4.470 7.117 -7.218 1.00 0.00 H new ATOM 0 HD3 ARG A 19 4.080 8.795 -7.539 1.00 0.00 H new ATOM 0 HE ARG A 19 6.182 7.777 -5.759 1.00 0.00 H new ATOM 0 HH11 ARG A 19 4.132 10.511 -6.643 1.00 0.00 H new ATOM 0 HH12 ARG A 19 5.234 11.709 -5.955 1.00 0.00 H new ATOM 0 HH21 ARG A 19 7.593 9.319 -4.878 1.00 0.00 H new ATOM 0 HH22 ARG A 19 7.187 11.037 -4.959 1.00 0.00 H new ATOM 386 N SER A 20 0.905 5.479 -6.992 1.00 0.00 N ATOM 387 CA SER A 20 0.108 5.512 -8.213 1.00 0.00 C ATOM 388 C SER A 20 -1.383 5.508 -7.890 1.00 0.00 C ATOM 389 O SER A 20 -2.122 6.404 -8.301 1.00 0.00 O ATOM 390 CB SER A 20 0.451 4.316 -9.104 1.00 0.00 C ATOM 391 OG SER A 20 1.830 4.302 -9.429 1.00 0.00 O ATOM 0 H SER A 20 1.615 4.747 -6.971 1.00 0.00 H new ATOM 0 HA SER A 20 0.344 6.433 -8.746 1.00 0.00 H new ATOM 0 HB2 SER A 20 0.185 3.390 -8.594 1.00 0.00 H new ATOM 0 HB3 SER A 20 -0.141 4.358 -10.018 1.00 0.00 H new ATOM 0 HG SER A 20 2.346 3.998 -8.653 1.00 0.00 H new ATOM 397 N LEU A 21 -1.818 4.494 -7.150 1.00 0.00 N ATOM 398 CA LEU A 21 -3.222 4.372 -6.770 1.00 0.00 C ATOM 399 C LEU A 21 -3.811 5.734 -6.419 1.00 0.00 C ATOM 400 O LEU A 21 -4.934 6.055 -6.810 1.00 0.00 O ATOM 401 CB LEU A 21 -3.367 3.419 -5.582 1.00 0.00 C ATOM 402 CG LEU A 21 -3.330 1.926 -5.910 1.00 0.00 C ATOM 403 CD1 LEU A 21 -3.105 1.108 -4.648 1.00 0.00 C ATOM 404 CD2 LEU A 21 -4.616 1.500 -6.602 1.00 0.00 C ATOM 0 H LEU A 21 -1.220 3.745 -6.801 1.00 0.00 H new ATOM 0 HA LEU A 21 -3.770 3.968 -7.621 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.570 3.634 -4.870 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.310 3.637 -5.080 1.00 0.00 H new ATOM 0 HG LEU A 21 -2.498 1.743 -6.590 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -3.082 0.048 -4.901 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.156 1.394 -4.194 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.916 1.295 -3.944 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.572 0.435 -6.828 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.464 1.697 -5.947 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -4.734 2.063 -7.528 1.00 0.00 H new ATOM 416 N PHE A 22 -3.046 6.533 -5.683 1.00 0.00 N ATOM 417 CA PHE A 22 -3.493 7.862 -5.280 1.00 0.00 C ATOM 418 C PHE A 22 -3.315 8.862 -6.419 1.00 0.00 C ATOM 419 O PHE A 22 -4.062 9.835 -6.525 1.00 0.00 O ATOM 420 CB PHE A 22 -2.718 8.332 -4.048 1.00 0.00 C ATOM 421 CG PHE A 22 -3.096 7.604 -2.789 1.00 0.00 C ATOM 422 CD1 PHE A 22 -4.176 8.023 -2.029 1.00 0.00 C ATOM 423 CD2 PHE A 22 -2.371 6.502 -2.366 1.00 0.00 C ATOM 424 CE1 PHE A 22 -4.525 7.357 -0.870 1.00 0.00 C ATOM 425 CE2 PHE A 22 -2.716 5.830 -1.208 1.00 0.00 C ATOM 426 CZ PHE A 22 -3.795 6.258 -0.459 1.00 0.00 C ATOM 0 H PHE A 22 -2.114 6.284 -5.353 1.00 0.00 H new ATOM 0 HA PHE A 22 -4.553 7.803 -5.033 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -1.651 8.201 -4.228 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -2.889 9.399 -3.906 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -4.752 8.880 -2.346 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -1.526 6.164 -2.948 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -5.368 7.695 -0.285 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -2.143 4.972 -0.889 1.00 0.00 H new ATOM 0 HZ PHE A 22 -4.067 5.735 0.446 1.00 0.00 H new ATOM 436 N GLU A 23 -2.322 8.616 -7.266 1.00 0.00 N ATOM 437 CA GLU A 23 -2.045 9.496 -8.396 1.00 0.00 C ATOM 438 C GLU A 23 -3.255 9.590 -9.321 1.00 0.00 C ATOM 439 O GLU A 23 -3.389 10.542 -10.089 1.00 0.00 O ATOM 440 CB GLU A 23 -0.830 8.993 -9.177 1.00 0.00 C ATOM 441 CG GLU A 23 0.482 9.147 -8.427 1.00 0.00 C ATOM 442 CD GLU A 23 1.672 9.292 -9.355 1.00 0.00 C ATOM 443 OE1 GLU A 23 1.860 10.394 -9.912 1.00 0.00 O ATOM 444 OE2 GLU A 23 2.416 8.303 -9.525 1.00 0.00 O ATOM 0 H GLU A 23 -1.695 7.815 -7.192 1.00 0.00 H new ATOM 0 HA GLU A 23 -1.830 10.490 -8.005 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -0.977 7.941 -9.423 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -0.765 9.535 -10.120 1.00 0.00 H new ATOM 0 HG2 GLU A 23 0.424 10.020 -7.777 1.00 0.00 H new ATOM 0 HG3 GLU A 23 0.632 8.280 -7.783 1.00 0.00 H new ATOM 451 N GLN A 24 -4.133 8.595 -9.241 1.00 0.00 N ATOM 452 CA GLN A 24 -5.331 8.565 -10.072 1.00 0.00 C ATOM 453 C GLN A 24 -6.355 9.585 -9.586 1.00 0.00 C ATOM 454 O GLN A 24 -7.269 9.960 -10.322 1.00 0.00 O ATOM 455 CB GLN A 24 -5.946 7.164 -10.066 1.00 0.00 C ATOM 456 CG GLN A 24 -5.070 6.112 -10.727 1.00 0.00 C ATOM 457 CD GLN A 24 -5.762 4.769 -10.850 1.00 0.00 C ATOM 458 OE1 GLN A 24 -5.597 3.924 -9.839 1.00 0.00 O flip ATOM 459 NE2 GLN A 24 -6.438 4.494 -11.841 1.00 0.00 N flip ATOM 0 H GLN A 24 -4.037 7.800 -8.610 1.00 0.00 H new ATOM 0 HA GLN A 24 -5.043 8.823 -11.091 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -6.142 6.867 -9.036 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -6.908 7.197 -10.577 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -4.779 6.458 -11.719 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -4.154 5.993 -10.149 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -6.538 5.174 -12.595 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -6.898 3.586 -11.908 1.00 0.00 H new ATOM 468 N TYR A 25 -6.197 10.030 -8.345 1.00 0.00 N ATOM 469 CA TYR A 25 -7.111 11.005 -7.761 1.00 0.00 C ATOM 470 C TYR A 25 -6.353 12.236 -7.271 1.00 0.00 C ATOM 471 O TYR A 25 -6.880 13.037 -6.500 1.00 0.00 O ATOM 472 CB TYR A 25 -7.888 10.377 -6.603 1.00 0.00 C ATOM 473 CG TYR A 25 -8.298 8.944 -6.856 1.00 0.00 C ATOM 474 CD1 TYR A 25 -7.466 7.889 -6.502 1.00 0.00 C ATOM 475 CD2 TYR A 25 -9.519 8.645 -7.448 1.00 0.00 C ATOM 476 CE1 TYR A 25 -7.837 6.578 -6.732 1.00 0.00 C ATOM 477 CE2 TYR A 25 -9.899 7.337 -7.681 1.00 0.00 C ATOM 478 CZ TYR A 25 -9.054 6.307 -7.322 1.00 0.00 C ATOM 479 OH TYR A 25 -9.428 5.003 -7.551 1.00 0.00 O ATOM 0 H TYR A 25 -5.445 9.732 -7.724 1.00 0.00 H new ATOM 0 HA TYR A 25 -7.813 11.316 -8.534 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -7.276 10.417 -5.702 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -8.780 10.973 -6.410 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -6.513 8.097 -6.039 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -10.183 9.449 -7.731 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -7.178 5.770 -6.451 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -10.852 7.122 -8.141 1.00 0.00 H new ATOM 0 HH TYR A 25 -10.313 4.986 -7.972 1.00 0.00 H new ATOM 489 N GLY A 26 -5.112 12.379 -7.727 1.00 0.00 N ATOM 490 CA GLY A 26 -4.302 13.514 -7.326 1.00 0.00 C ATOM 491 C GLY A 26 -2.836 13.156 -7.176 1.00 0.00 C ATOM 492 O GLY A 26 -2.497 12.130 -6.585 1.00 0.00 O ATOM 0 H GLY A 26 -4.654 11.730 -8.366 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -4.405 14.309 -8.065 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -4.675 13.907 -6.380 1.00 0.00 H new ATOM 496 N LYS A 27 -1.964 14.001 -7.714 1.00 0.00 N ATOM 497 CA LYS A 27 -0.527 13.770 -7.638 1.00 0.00 C ATOM 498 C LYS A 27 -0.094 13.502 -6.201 1.00 0.00 C ATOM 499 O LYS A 27 -0.724 13.972 -5.254 1.00 0.00 O ATOM 500 CB LYS A 27 0.235 14.974 -8.195 1.00 0.00 C ATOM 501 CG LYS A 27 1.736 14.759 -8.280 1.00 0.00 C ATOM 502 CD LYS A 27 2.388 15.742 -9.238 1.00 0.00 C ATOM 503 CE LYS A 27 2.658 17.079 -8.566 1.00 0.00 C ATOM 504 NZ LYS A 27 3.393 18.013 -9.463 1.00 0.00 N ATOM 0 H LYS A 27 -2.228 14.853 -8.208 1.00 0.00 H new ATOM 0 HA LYS A 27 -0.294 12.891 -8.239 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -0.147 15.207 -9.189 1.00 0.00 H new ATOM 0 HB3 LYS A 27 0.036 15.842 -7.566 1.00 0.00 H new ATOM 0 HG2 LYS A 27 2.177 14.869 -7.289 1.00 0.00 H new ATOM 0 HG3 LYS A 27 1.940 13.740 -8.608 1.00 0.00 H new ATOM 0 HD2 LYS A 27 3.324 15.324 -9.608 1.00 0.00 H new ATOM 0 HD3 LYS A 27 1.742 15.892 -10.103 1.00 0.00 H new ATOM 0 HE2 LYS A 27 1.713 17.532 -8.266 1.00 0.00 H new ATOM 0 HE3 LYS A 27 3.237 16.918 -7.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 3.557 18.913 -8.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 4.306 17.592 -9.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 2.829 18.187 -10.320 1.00 0.00 H new ATOM 518 N VAL A 28 0.987 12.743 -6.044 1.00 0.00 N ATOM 519 CA VAL A 28 1.506 12.415 -4.722 1.00 0.00 C ATOM 520 C VAL A 28 2.812 13.151 -4.445 1.00 0.00 C ATOM 521 O VAL A 28 3.685 13.235 -5.310 1.00 0.00 O ATOM 522 CB VAL A 28 1.741 10.900 -4.571 1.00 0.00 C ATOM 523 CG1 VAL A 28 2.437 10.596 -3.253 1.00 0.00 C ATOM 524 CG2 VAL A 28 0.425 10.144 -4.676 1.00 0.00 C ATOM 0 H VAL A 28 1.520 12.344 -6.817 1.00 0.00 H new ATOM 0 HA VAL A 28 0.754 12.732 -4.000 1.00 0.00 H new ATOM 0 HB VAL A 28 2.390 10.568 -5.381 1.00 0.00 H new ATOM 0 HG11 VAL A 28 2.594 9.521 -3.164 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.399 11.107 -3.223 1.00 0.00 H new ATOM 0 HG13 VAL A 28 1.817 10.941 -2.426 1.00 0.00 H new ATOM 0 HG21 VAL A 28 0.610 9.075 -4.567 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.250 10.478 -3.888 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -0.029 10.337 -5.648 1.00 0.00 H new ATOM 534 N LEU A 29 2.940 13.683 -3.235 1.00 0.00 N ATOM 535 CA LEU A 29 4.141 14.413 -2.843 1.00 0.00 C ATOM 536 C LEU A 29 5.172 13.473 -2.226 1.00 0.00 C ATOM 537 O LEU A 29 6.306 13.387 -2.696 1.00 0.00 O ATOM 538 CB LEU A 29 3.787 15.522 -1.851 1.00 0.00 C ATOM 539 CG LEU A 29 2.662 16.467 -2.274 1.00 0.00 C ATOM 540 CD1 LEU A 29 2.412 17.514 -1.200 1.00 0.00 C ATOM 541 CD2 LEU A 29 2.994 17.131 -3.602 1.00 0.00 C ATOM 0 H LEU A 29 2.227 13.623 -2.508 1.00 0.00 H new ATOM 0 HA LEU A 29 4.573 14.860 -3.738 1.00 0.00 H new ATOM 0 HB2 LEU A 29 3.509 15.060 -0.904 1.00 0.00 H new ATOM 0 HB3 LEU A 29 4.682 16.115 -1.665 1.00 0.00 H new ATOM 0 HG LEU A 29 1.751 15.882 -2.401 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.608 18.177 -1.519 1.00 0.00 H new ATOM 0 HD12 LEU A 29 2.128 17.021 -0.270 1.00 0.00 H new ATOM 0 HD13 LEU A 29 3.320 18.095 -1.040 1.00 0.00 H new ATOM 0 HD21 LEU A 29 2.182 17.800 -3.887 1.00 0.00 H new ATOM 0 HD22 LEU A 29 3.917 17.702 -3.502 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.121 16.367 -4.369 1.00 0.00 H new ATOM 553 N GLU A 30 4.769 12.769 -1.173 1.00 0.00 N ATOM 554 CA GLU A 30 5.658 11.834 -0.494 1.00 0.00 C ATOM 555 C GLU A 30 4.969 10.491 -0.272 1.00 0.00 C ATOM 556 O GLU A 30 3.759 10.431 -0.052 1.00 0.00 O ATOM 557 CB GLU A 30 6.114 12.413 0.847 1.00 0.00 C ATOM 558 CG GLU A 30 7.195 13.473 0.716 1.00 0.00 C ATOM 559 CD GLU A 30 7.931 13.720 2.019 1.00 0.00 C ATOM 560 OE1 GLU A 30 7.370 14.409 2.896 1.00 0.00 O ATOM 561 OE2 GLU A 30 9.068 13.224 2.160 1.00 0.00 O ATOM 0 H GLU A 30 3.833 12.828 -0.772 1.00 0.00 H new ATOM 0 HA GLU A 30 6.530 11.675 -1.129 1.00 0.00 H new ATOM 0 HB2 GLU A 30 5.254 12.845 1.358 1.00 0.00 H new ATOM 0 HB3 GLU A 30 6.485 11.603 1.475 1.00 0.00 H new ATOM 0 HG2 GLU A 30 7.909 13.166 -0.048 1.00 0.00 H new ATOM 0 HG3 GLU A 30 6.745 14.405 0.375 1.00 0.00 H new ATOM 568 N CYS A 31 5.748 9.416 -0.332 1.00 0.00 N ATOM 569 CA CYS A 31 5.213 8.073 -0.140 1.00 0.00 C ATOM 570 C CYS A 31 6.217 7.188 0.593 1.00 0.00 C ATOM 571 O CYS A 31 7.345 7.005 0.137 1.00 0.00 O ATOM 572 CB CYS A 31 4.852 7.447 -1.488 1.00 0.00 C ATOM 573 SG CYS A 31 3.900 5.916 -1.359 1.00 0.00 S ATOM 0 H CYS A 31 6.751 9.449 -0.512 1.00 0.00 H new ATOM 0 HA CYS A 31 4.312 8.151 0.468 1.00 0.00 H new ATOM 0 HB2 CYS A 31 4.281 8.170 -2.071 1.00 0.00 H new ATOM 0 HB3 CYS A 31 5.770 7.246 -2.041 1.00 0.00 H new ATOM 0 HG CYS A 31 4.071 5.207 -2.435 1.00 0.00 H new ATOM 579 N ASP A 32 5.798 6.644 1.730 1.00 0.00 N ATOM 580 CA ASP A 32 6.660 5.779 2.527 1.00 0.00 C ATOM 581 C ASP A 32 5.916 4.520 2.960 1.00 0.00 C ATOM 582 O ASP A 32 4.685 4.479 2.945 1.00 0.00 O ATOM 583 CB ASP A 32 7.177 6.530 3.755 1.00 0.00 C ATOM 584 CG ASP A 32 8.527 6.020 4.219 1.00 0.00 C ATOM 585 OD1 ASP A 32 8.620 4.828 4.581 1.00 0.00 O ATOM 586 OD2 ASP A 32 9.492 6.813 4.220 1.00 0.00 O ATOM 0 H ASP A 32 4.867 6.787 2.121 1.00 0.00 H new ATOM 0 HA ASP A 32 7.508 5.483 1.909 1.00 0.00 H new ATOM 0 HB2 ASP A 32 7.253 7.592 3.522 1.00 0.00 H new ATOM 0 HB3 ASP A 32 6.456 6.433 4.567 1.00 0.00 H new ATOM 591 N ILE A 33 6.670 3.496 3.344 1.00 0.00 N ATOM 592 CA ILE A 33 6.081 2.236 3.781 1.00 0.00 C ATOM 593 C ILE A 33 6.934 1.576 4.859 1.00 0.00 C ATOM 594 O ILE A 33 8.023 1.072 4.581 1.00 0.00 O ATOM 595 CB ILE A 33 5.911 1.256 2.606 1.00 0.00 C ATOM 596 CG1 ILE A 33 5.066 1.894 1.500 1.00 0.00 C ATOM 597 CG2 ILE A 33 5.274 -0.040 3.084 1.00 0.00 C ATOM 598 CD1 ILE A 33 4.925 1.025 0.270 1.00 0.00 C ATOM 0 H ILE A 33 7.690 3.514 3.362 1.00 0.00 H new ATOM 0 HA ILE A 33 5.099 2.472 4.191 1.00 0.00 H new ATOM 0 HB ILE A 33 6.896 1.026 2.199 1.00 0.00 H new ATOM 0 HG12 ILE A 33 4.074 2.116 1.894 1.00 0.00 H new ATOM 0 HG13 ILE A 33 5.515 2.845 1.214 1.00 0.00 H new ATOM 0 HG21 ILE A 33 5.161 -0.722 2.241 1.00 0.00 H new ATOM 0 HG22 ILE A 33 5.909 -0.500 3.841 1.00 0.00 H new ATOM 0 HG23 ILE A 33 4.295 0.172 3.513 1.00 0.00 H new ATOM 0 HD11 ILE A 33 4.314 1.540 -0.471 1.00 0.00 H new ATOM 0 HD12 ILE A 33 5.911 0.824 -0.149 1.00 0.00 H new ATOM 0 HD13 ILE A 33 4.448 0.084 0.542 1.00 0.00 H new ATOM 610 N ILE A 34 6.431 1.580 6.089 1.00 0.00 N ATOM 611 CA ILE A 34 7.145 0.979 7.208 1.00 0.00 C ATOM 612 C ILE A 34 6.175 0.396 8.230 1.00 0.00 C ATOM 613 O ILE A 34 4.974 0.663 8.185 1.00 0.00 O ATOM 614 CB ILE A 34 8.058 2.002 7.909 1.00 0.00 C ATOM 615 CG1 ILE A 34 8.741 2.901 6.875 1.00 0.00 C ATOM 616 CG2 ILE A 34 9.094 1.289 8.765 1.00 0.00 C ATOM 617 CD1 ILE A 34 9.385 4.131 7.476 1.00 0.00 C ATOM 0 H ILE A 34 5.532 1.993 6.336 1.00 0.00 H new ATOM 0 HA ILE A 34 7.760 0.179 6.796 1.00 0.00 H new ATOM 0 HB ILE A 34 7.446 2.627 8.559 1.00 0.00 H new ATOM 0 HG12 ILE A 34 9.501 2.323 6.348 1.00 0.00 H new ATOM 0 HG13 ILE A 34 8.005 3.212 6.133 1.00 0.00 H new ATOM 0 HG21 ILE A 34 9.732 2.026 9.254 1.00 0.00 H new ATOM 0 HG22 ILE A 34 8.590 0.687 9.521 1.00 0.00 H new ATOM 0 HG23 ILE A 34 9.704 0.642 8.134 1.00 0.00 H new ATOM 0 HD11 ILE A 34 9.849 4.721 6.686 1.00 0.00 H new ATOM 0 HD12 ILE A 34 8.626 4.731 7.978 1.00 0.00 H new ATOM 0 HD13 ILE A 34 10.144 3.829 8.197 1.00 0.00 H new ATOM 629 N LYS A 35 6.704 -0.400 9.154 1.00 0.00 N ATOM 630 CA LYS A 35 5.887 -1.018 10.191 1.00 0.00 C ATOM 631 C LYS A 35 4.501 -1.366 9.656 1.00 0.00 C ATOM 632 O LYS A 35 3.488 -0.952 10.218 1.00 0.00 O ATOM 633 CB LYS A 35 5.761 -0.083 11.395 1.00 0.00 C ATOM 634 CG LYS A 35 7.002 -0.050 12.272 1.00 0.00 C ATOM 635 CD LYS A 35 7.133 1.276 13.002 1.00 0.00 C ATOM 636 CE LYS A 35 8.348 1.290 13.917 1.00 0.00 C ATOM 637 NZ LYS A 35 9.556 0.739 13.243 1.00 0.00 N ATOM 0 H LYS A 35 7.696 -0.632 9.205 1.00 0.00 H new ATOM 0 HA LYS A 35 6.378 -1.939 10.505 1.00 0.00 H new ATOM 0 HB2 LYS A 35 5.550 0.926 11.040 1.00 0.00 H new ATOM 0 HB3 LYS A 35 4.908 -0.394 11.998 1.00 0.00 H new ATOM 0 HG2 LYS A 35 6.958 -0.863 12.997 1.00 0.00 H new ATOM 0 HG3 LYS A 35 7.887 -0.218 11.658 1.00 0.00 H new ATOM 0 HD2 LYS A 35 7.213 2.086 12.277 1.00 0.00 H new ATOM 0 HD3 LYS A 35 6.233 1.461 13.588 1.00 0.00 H new ATOM 0 HE2 LYS A 35 8.547 2.312 14.241 1.00 0.00 H new ATOM 0 HE3 LYS A 35 8.135 0.707 14.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 10.404 0.993 13.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 9.479 -0.296 13.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 9.630 1.135 12.284 1.00 0.00 H new ATOM 651 N ASN A 36 4.465 -2.129 8.569 1.00 0.00 N ATOM 652 CA ASN A 36 3.203 -2.532 7.960 1.00 0.00 C ATOM 653 C ASN A 36 2.261 -1.341 7.821 1.00 0.00 C ATOM 654 O ASN A 36 1.075 -1.433 8.141 1.00 0.00 O ATOM 655 CB ASN A 36 2.538 -3.629 8.794 1.00 0.00 C ATOM 656 CG ASN A 36 3.549 -4.505 9.509 1.00 0.00 C ATOM 657 OD1 ASN A 36 4.620 -4.796 8.977 1.00 0.00 O ATOM 658 ND2 ASN A 36 3.211 -4.929 10.721 1.00 0.00 N ATOM 0 H ASN A 36 5.295 -2.481 8.092 1.00 0.00 H new ATOM 0 HA ASN A 36 3.416 -2.921 6.964 1.00 0.00 H new ATOM 0 HB2 ASN A 36 1.874 -3.172 9.528 1.00 0.00 H new ATOM 0 HB3 ASN A 36 1.918 -4.249 8.146 1.00 0.00 H new ATOM 0 HD21 ASN A 36 3.850 -5.521 11.251 1.00 0.00 H new ATOM 0 HD22 ASN A 36 2.312 -4.662 11.122 1.00 0.00 H new ATOM 665 N TYR A 37 2.795 -0.223 7.342 1.00 0.00 N ATOM 666 CA TYR A 37 2.003 0.987 7.162 1.00 0.00 C ATOM 667 C TYR A 37 2.607 1.879 6.082 1.00 0.00 C ATOM 668 O TYR A 37 3.816 1.863 5.852 1.00 0.00 O ATOM 669 CB TYR A 37 1.906 1.759 8.480 1.00 0.00 C ATOM 670 CG TYR A 37 3.110 2.628 8.763 1.00 0.00 C ATOM 671 CD1 TYR A 37 3.399 3.730 7.967 1.00 0.00 C ATOM 672 CD2 TYR A 37 3.960 2.347 9.826 1.00 0.00 C ATOM 673 CE1 TYR A 37 4.498 4.526 8.221 1.00 0.00 C ATOM 674 CE2 TYR A 37 5.061 3.139 10.088 1.00 0.00 C ATOM 675 CZ TYR A 37 5.326 4.227 9.283 1.00 0.00 C ATOM 676 OH TYR A 37 6.423 5.018 9.541 1.00 0.00 O ATOM 0 H TYR A 37 3.774 -0.130 7.071 1.00 0.00 H new ATOM 0 HA TYR A 37 1.003 0.691 6.846 1.00 0.00 H new ATOM 0 HB2 TYR A 37 1.014 2.385 8.460 1.00 0.00 H new ATOM 0 HB3 TYR A 37 1.780 1.050 9.298 1.00 0.00 H new ATOM 0 HD1 TYR A 37 2.753 3.968 7.135 1.00 0.00 H new ATOM 0 HD2 TYR A 37 3.756 1.495 10.458 1.00 0.00 H new ATOM 0 HE1 TYR A 37 4.708 5.378 7.592 1.00 0.00 H new ATOM 0 HE2 TYR A 37 5.711 2.907 10.919 1.00 0.00 H new ATOM 0 HH TYR A 37 6.900 4.671 10.324 1.00 0.00 H new ATOM 686 N GLY A 38 1.755 2.657 5.421 1.00 0.00 N ATOM 687 CA GLY A 38 2.222 3.546 4.373 1.00 0.00 C ATOM 688 C GLY A 38 1.625 4.935 4.481 1.00 0.00 C ATOM 689 O GLY A 38 0.436 5.087 4.761 1.00 0.00 O ATOM 0 H GLY A 38 0.750 2.687 5.593 1.00 0.00 H new ATOM 0 HA2 GLY A 38 3.309 3.617 4.419 1.00 0.00 H new ATOM 0 HA3 GLY A 38 1.971 3.121 3.401 1.00 0.00 H new ATOM 693 N PHE A 39 2.453 5.951 4.261 1.00 0.00 N ATOM 694 CA PHE A 39 2.000 7.336 4.338 1.00 0.00 C ATOM 695 C PHE A 39 1.999 7.985 2.958 1.00 0.00 C ATOM 696 O PHE A 39 3.008 7.970 2.252 1.00 0.00 O ATOM 697 CB PHE A 39 2.894 8.134 5.290 1.00 0.00 C ATOM 698 CG PHE A 39 2.752 7.727 6.729 1.00 0.00 C ATOM 699 CD1 PHE A 39 1.501 7.501 7.279 1.00 0.00 C ATOM 700 CD2 PHE A 39 3.871 7.570 7.531 1.00 0.00 C ATOM 701 CE1 PHE A 39 1.367 7.126 8.602 1.00 0.00 C ATOM 702 CE2 PHE A 39 3.743 7.194 8.855 1.00 0.00 C ATOM 703 CZ PHE A 39 2.490 6.973 9.392 1.00 0.00 C ATOM 0 H PHE A 39 3.440 5.842 4.028 1.00 0.00 H new ATOM 0 HA PHE A 39 0.980 7.338 4.721 1.00 0.00 H new ATOM 0 HB2 PHE A 39 3.934 8.012 4.987 1.00 0.00 H new ATOM 0 HB3 PHE A 39 2.657 9.194 5.195 1.00 0.00 H new ATOM 0 HD1 PHE A 39 0.620 7.619 6.666 1.00 0.00 H new ATOM 0 HD2 PHE A 39 4.853 7.743 7.117 1.00 0.00 H new ATOM 0 HE1 PHE A 39 0.386 6.953 9.018 1.00 0.00 H new ATOM 0 HE2 PHE A 39 4.623 7.073 9.469 1.00 0.00 H new ATOM 0 HZ PHE A 39 2.388 6.681 10.427 1.00 0.00 H new ATOM 713 N VAL A 40 0.860 8.555 2.579 1.00 0.00 N ATOM 714 CA VAL A 40 0.726 9.211 1.284 1.00 0.00 C ATOM 715 C VAL A 40 0.293 10.664 1.446 1.00 0.00 C ATOM 716 O VAL A 40 -0.755 10.949 2.026 1.00 0.00 O ATOM 717 CB VAL A 40 -0.290 8.480 0.387 1.00 0.00 C ATOM 718 CG1 VAL A 40 -0.498 9.241 -0.914 1.00 0.00 C ATOM 719 CG2 VAL A 40 0.169 7.056 0.114 1.00 0.00 C ATOM 0 H VAL A 40 0.016 8.576 3.151 1.00 0.00 H new ATOM 0 HA VAL A 40 1.707 9.178 0.810 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.245 8.435 0.910 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.219 8.710 -1.535 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.875 10.240 -0.695 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.450 9.319 -1.445 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.561 6.554 -0.521 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.136 7.075 -0.389 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.261 6.516 1.057 1.00 0.00 H new ATOM 729 N HIS A 41 1.105 11.579 0.927 1.00 0.00 N ATOM 730 CA HIS A 41 0.805 13.004 1.013 1.00 0.00 C ATOM 731 C HIS A 41 0.299 13.534 -0.325 1.00 0.00 C ATOM 732 O HIS A 41 1.088 13.931 -1.184 1.00 0.00 O ATOM 733 CB HIS A 41 2.046 13.783 1.447 1.00 0.00 C ATOM 734 CG HIS A 41 2.730 13.201 2.646 1.00 0.00 C ATOM 735 ND1 HIS A 41 3.427 12.012 2.611 1.00 0.00 N ATOM 736 CD2 HIS A 41 2.822 13.653 3.919 1.00 0.00 C ATOM 737 CE1 HIS A 41 3.917 11.756 3.811 1.00 0.00 C ATOM 738 NE2 HIS A 41 3.565 12.737 4.623 1.00 0.00 N ATOM 0 H HIS A 41 1.975 11.360 0.443 1.00 0.00 H new ATOM 0 HA HIS A 41 0.021 13.141 1.758 1.00 0.00 H new ATOM 0 HB2 HIS A 41 2.752 13.817 0.617 1.00 0.00 H new ATOM 0 HB3 HIS A 41 1.761 14.812 1.666 1.00 0.00 H new ATOM 0 HD1 HIS A 41 3.546 11.422 1.787 1.00 0.00 H new ATOM 0 HD2 HIS A 41 2.392 14.564 4.308 1.00 0.00 H new ATOM 0 HE1 HIS A 41 4.505 10.892 4.082 1.00 0.00 H new ATOM 746 N ILE A 42 -1.019 13.537 -0.495 1.00 0.00 N ATOM 747 CA ILE A 42 -1.628 14.019 -1.729 1.00 0.00 C ATOM 748 C ILE A 42 -1.480 15.531 -1.861 1.00 0.00 C ATOM 749 O ILE A 42 -1.174 16.221 -0.890 1.00 0.00 O ATOM 750 CB ILE A 42 -3.122 13.652 -1.799 1.00 0.00 C ATOM 751 CG1 ILE A 42 -3.625 13.743 -3.241 1.00 0.00 C ATOM 752 CG2 ILE A 42 -3.934 14.563 -0.891 1.00 0.00 C ATOM 753 CD1 ILE A 42 -4.904 12.973 -3.485 1.00 0.00 C ATOM 0 H ILE A 42 -1.685 13.211 0.205 1.00 0.00 H new ATOM 0 HA ILE A 42 -1.104 13.532 -2.551 1.00 0.00 H new ATOM 0 HB ILE A 42 -3.245 12.625 -1.455 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -3.787 14.790 -3.495 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -2.851 13.368 -3.911 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -4.988 14.291 -0.951 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -3.589 14.453 0.137 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -3.808 15.598 -1.207 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -5.201 13.083 -4.528 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -4.742 11.918 -3.263 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -5.692 13.363 -2.840 1.00 0.00 H new ATOM 765 N GLU A 43 -1.703 16.038 -3.069 1.00 0.00 N ATOM 766 CA GLU A 43 -1.595 17.469 -3.328 1.00 0.00 C ATOM 767 C GLU A 43 -2.667 18.242 -2.564 1.00 0.00 C ATOM 768 O GLU A 43 -2.364 18.985 -1.630 1.00 0.00 O ATOM 769 CB GLU A 43 -1.719 17.750 -4.827 1.00 0.00 C ATOM 770 CG GLU A 43 -1.919 19.220 -5.156 1.00 0.00 C ATOM 771 CD GLU A 43 -0.644 20.028 -5.012 1.00 0.00 C ATOM 772 OE1 GLU A 43 -0.125 20.119 -3.880 1.00 0.00 O ATOM 773 OE2 GLU A 43 -0.165 20.569 -6.031 1.00 0.00 O ATOM 0 H GLU A 43 -1.959 15.480 -3.883 1.00 0.00 H new ATOM 0 HA GLU A 43 -0.616 17.802 -2.984 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -0.821 17.393 -5.331 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -2.557 17.179 -5.227 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -2.290 19.313 -6.177 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -2.684 19.635 -4.499 1.00 0.00 H new ATOM 780 N ASP A 44 -3.919 18.062 -2.969 1.00 0.00 N ATOM 781 CA ASP A 44 -5.036 18.741 -2.323 1.00 0.00 C ATOM 782 C ASP A 44 -5.863 17.762 -1.496 1.00 0.00 C ATOM 783 O ASP A 44 -5.933 16.573 -1.808 1.00 0.00 O ATOM 784 CB ASP A 44 -5.923 19.419 -3.370 1.00 0.00 C ATOM 785 CG ASP A 44 -7.368 19.522 -2.925 1.00 0.00 C ATOM 786 OD1 ASP A 44 -7.654 20.332 -2.018 1.00 0.00 O ATOM 787 OD2 ASP A 44 -8.214 18.793 -3.484 1.00 0.00 O ATOM 0 H ASP A 44 -4.186 17.452 -3.741 1.00 0.00 H new ATOM 0 HA ASP A 44 -4.630 19.500 -1.655 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -5.538 20.417 -3.577 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -5.872 18.858 -4.303 1.00 0.00 H new ATOM 792 N LYS A 45 -6.488 18.269 -0.439 1.00 0.00 N ATOM 793 CA LYS A 45 -7.310 17.440 0.435 1.00 0.00 C ATOM 794 C LYS A 45 -8.421 16.753 -0.354 1.00 0.00 C ATOM 795 O LYS A 45 -8.445 15.528 -0.474 1.00 0.00 O ATOM 796 CB LYS A 45 -7.916 18.289 1.555 1.00 0.00 C ATOM 797 CG LYS A 45 -8.604 17.471 2.634 1.00 0.00 C ATOM 798 CD LYS A 45 -10.041 17.148 2.258 1.00 0.00 C ATOM 799 CE LYS A 45 -10.730 16.331 3.340 1.00 0.00 C ATOM 800 NZ LYS A 45 -10.892 17.106 4.602 1.00 0.00 N ATOM 0 H LYS A 45 -6.441 19.251 -0.167 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.671 16.673 0.873 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -7.128 18.888 2.012 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -8.636 18.984 1.123 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -8.053 16.545 2.797 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -8.588 18.021 3.575 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -10.592 18.074 2.093 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -10.057 16.596 1.318 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -11.708 16.008 2.984 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -10.150 15.430 3.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -11.524 16.590 5.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -9.964 17.232 5.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -11.302 18.037 4.387 1.00 0.00 H new ATOM 814 N THR A 46 -9.338 17.551 -0.892 1.00 0.00 N ATOM 815 CA THR A 46 -10.451 17.020 -1.670 1.00 0.00 C ATOM 816 C THR A 46 -9.989 15.901 -2.598 1.00 0.00 C ATOM 817 O THR A 46 -10.744 14.976 -2.894 1.00 0.00 O ATOM 818 CB THR A 46 -11.126 18.121 -2.509 1.00 0.00 C ATOM 819 OG1 THR A 46 -11.465 19.234 -1.674 1.00 0.00 O ATOM 820 CG2 THR A 46 -12.379 17.591 -3.190 1.00 0.00 C ATOM 0 H THR A 46 -9.332 18.567 -0.803 1.00 0.00 H new ATOM 0 HA THR A 46 -11.173 16.622 -0.957 1.00 0.00 H new ATOM 0 HB THR A 46 -10.424 18.444 -3.277 1.00 0.00 H new ATOM 0 HG1 THR A 46 -11.892 19.931 -2.215 1.00 0.00 H new ATOM 0 HG21 THR A 46 -12.838 18.387 -3.777 1.00 0.00 H new ATOM 0 HG22 THR A 46 -12.113 16.763 -3.847 1.00 0.00 H new ATOM 0 HG23 THR A 46 -13.084 17.244 -2.435 1.00 0.00 H new ATOM 828 N ALA A 47 -8.743 15.993 -3.052 1.00 0.00 N ATOM 829 CA ALA A 47 -8.180 14.987 -3.944 1.00 0.00 C ATOM 830 C ALA A 47 -8.126 13.621 -3.267 1.00 0.00 C ATOM 831 O ALA A 47 -8.443 12.602 -3.879 1.00 0.00 O ATOM 832 CB ALA A 47 -6.791 15.406 -4.403 1.00 0.00 C ATOM 0 H ALA A 47 -8.105 16.753 -2.817 1.00 0.00 H new ATOM 0 HA ALA A 47 -8.830 14.906 -4.816 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -6.383 14.645 -5.068 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -6.854 16.356 -4.933 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -6.139 15.517 -3.536 1.00 0.00 H new ATOM 838 N ALA A 48 -7.722 13.609 -2.001 1.00 0.00 N ATOM 839 CA ALA A 48 -7.627 12.369 -1.241 1.00 0.00 C ATOM 840 C ALA A 48 -8.998 11.723 -1.072 1.00 0.00 C ATOM 841 O ALA A 48 -9.182 10.547 -1.384 1.00 0.00 O ATOM 842 CB ALA A 48 -6.994 12.630 0.117 1.00 0.00 C ATOM 0 H ALA A 48 -7.455 14.444 -1.480 1.00 0.00 H new ATOM 0 HA ALA A 48 -6.994 11.678 -1.798 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -6.929 11.695 0.674 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -5.994 13.040 -0.021 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -7.605 13.342 0.672 1.00 0.00 H new ATOM 848 N GLU A 49 -9.956 12.500 -0.577 1.00 0.00 N ATOM 849 CA GLU A 49 -11.310 12.001 -0.366 1.00 0.00 C ATOM 850 C GLU A 49 -11.691 10.988 -1.441 1.00 0.00 C ATOM 851 O GLU A 49 -11.986 9.831 -1.142 1.00 0.00 O ATOM 852 CB GLU A 49 -12.310 13.160 -0.364 1.00 0.00 C ATOM 853 CG GLU A 49 -12.514 13.786 1.005 1.00 0.00 C ATOM 854 CD GLU A 49 -13.860 14.472 1.138 1.00 0.00 C ATOM 855 OE1 GLU A 49 -14.139 15.389 0.337 1.00 0.00 O ATOM 856 OE2 GLU A 49 -14.634 14.092 2.042 1.00 0.00 O ATOM 0 H GLU A 49 -9.820 13.476 -0.315 1.00 0.00 H new ATOM 0 HA GLU A 49 -11.339 11.504 0.603 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -11.965 13.927 -1.057 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -13.269 12.801 -0.737 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -12.426 13.014 1.770 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -11.721 14.511 1.191 1.00 0.00 H new ATOM 863 N ASP A 50 -11.682 11.432 -2.693 1.00 0.00 N ATOM 864 CA ASP A 50 -12.025 10.564 -3.814 1.00 0.00 C ATOM 865 C ASP A 50 -11.306 9.224 -3.704 1.00 0.00 C ATOM 866 O ASP A 50 -11.927 8.165 -3.801 1.00 0.00 O ATOM 867 CB ASP A 50 -11.668 11.241 -5.138 1.00 0.00 C ATOM 868 CG ASP A 50 -12.537 10.764 -6.285 1.00 0.00 C ATOM 869 OD1 ASP A 50 -13.652 10.268 -6.019 1.00 0.00 O ATOM 870 OD2 ASP A 50 -12.102 10.885 -7.450 1.00 0.00 O ATOM 0 H ASP A 50 -11.441 12.387 -2.957 1.00 0.00 H new ATOM 0 HA ASP A 50 -13.099 10.382 -3.785 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -11.773 12.321 -5.031 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -10.622 11.045 -5.373 1.00 0.00 H new ATOM 875 N ALA A 51 -9.994 9.276 -3.502 1.00 0.00 N ATOM 876 CA ALA A 51 -9.191 8.066 -3.378 1.00 0.00 C ATOM 877 C ALA A 51 -9.537 7.306 -2.102 1.00 0.00 C ATOM 878 O ALA A 51 -10.035 6.181 -2.155 1.00 0.00 O ATOM 879 CB ALA A 51 -7.709 8.412 -3.403 1.00 0.00 C ATOM 0 H ALA A 51 -9.464 10.144 -3.421 1.00 0.00 H new ATOM 0 HA ALA A 51 -9.417 7.421 -4.227 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -7.121 7.499 -3.310 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -7.466 8.905 -4.344 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -7.477 9.080 -2.573 1.00 0.00 H new ATOM 885 N ILE A 52 -9.269 7.926 -0.958 1.00 0.00 N ATOM 886 CA ILE A 52 -9.553 7.307 0.331 1.00 0.00 C ATOM 887 C ILE A 52 -10.807 6.442 0.260 1.00 0.00 C ATOM 888 O ILE A 52 -10.738 5.220 0.392 1.00 0.00 O ATOM 889 CB ILE A 52 -9.734 8.365 1.435 1.00 0.00 C ATOM 890 CG1 ILE A 52 -8.460 9.199 1.587 1.00 0.00 C ATOM 891 CG2 ILE A 52 -10.096 7.697 2.754 1.00 0.00 C ATOM 892 CD1 ILE A 52 -8.581 10.305 2.611 1.00 0.00 C ATOM 0 H ILE A 52 -8.856 8.856 -0.897 1.00 0.00 H new ATOM 0 HA ILE A 52 -8.696 6.680 0.577 1.00 0.00 H new ATOM 0 HB ILE A 52 -10.549 9.030 1.150 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -7.637 8.542 1.869 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -8.204 9.635 0.622 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -10.221 8.458 3.525 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -11.027 7.142 2.637 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -9.300 7.012 3.046 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -7.641 10.855 2.666 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -9.382 10.984 2.320 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -8.807 9.874 3.587 1.00 0.00 H new ATOM 904 N ARG A 53 -11.951 7.085 0.050 1.00 0.00 N ATOM 905 CA ARG A 53 -13.221 6.374 -0.038 1.00 0.00 C ATOM 906 C ARG A 53 -13.051 5.045 -0.768 1.00 0.00 C ATOM 907 O ARG A 53 -13.408 3.989 -0.247 1.00 0.00 O ATOM 908 CB ARG A 53 -14.262 7.233 -0.759 1.00 0.00 C ATOM 909 CG ARG A 53 -15.664 6.648 -0.724 1.00 0.00 C ATOM 910 CD ARG A 53 -16.643 7.500 -1.517 1.00 0.00 C ATOM 911 NE ARG A 53 -17.208 8.579 -0.710 1.00 0.00 N ATOM 912 CZ ARG A 53 -18.059 9.483 -1.183 1.00 0.00 C ATOM 913 NH1 ARG A 53 -18.441 9.438 -2.451 1.00 0.00 N ATOM 914 NH2 ARG A 53 -18.529 10.434 -0.386 1.00 0.00 N ATOM 0 H ARG A 53 -12.025 8.096 -0.062 1.00 0.00 H new ATOM 0 HA ARG A 53 -13.565 6.171 0.976 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -14.280 8.224 -0.306 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -13.957 7.363 -1.798 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -15.648 5.637 -1.131 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -16.001 6.571 0.310 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -16.136 7.923 -2.384 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -17.448 6.870 -1.895 1.00 0.00 H new ATOM 0 HE ARG A 53 -16.934 8.642 0.271 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -18.082 8.708 -3.066 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -19.094 10.133 -2.812 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -18.237 10.471 0.591 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -19.182 11.128 -0.750 1.00 0.00 H new ATOM 928 N ASN A 54 -12.503 5.105 -1.977 1.00 0.00 N ATOM 929 CA ASN A 54 -12.286 3.907 -2.779 1.00 0.00 C ATOM 930 C ASN A 54 -11.201 3.029 -2.163 1.00 0.00 C ATOM 931 O ASN A 54 -11.489 1.977 -1.589 1.00 0.00 O ATOM 932 CB ASN A 54 -11.898 4.288 -4.209 1.00 0.00 C ATOM 933 CG ASN A 54 -13.100 4.660 -5.055 1.00 0.00 C ATOM 934 OD1 ASN A 54 -13.800 3.791 -5.576 1.00 0.00 O ATOM 935 ND2 ASN A 54 -13.346 5.957 -5.196 1.00 0.00 N ATOM 0 H ASN A 54 -12.201 5.971 -2.423 1.00 0.00 H new ATOM 0 HA ASN A 54 -13.218 3.342 -2.801 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -11.202 5.127 -4.182 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -11.374 3.454 -4.675 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -14.141 6.268 -5.754 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -12.740 6.643 -4.746 1.00 0.00 H new ATOM 942 N LEU A 55 -9.953 3.468 -2.284 1.00 0.00 N ATOM 943 CA LEU A 55 -8.823 2.723 -1.739 1.00 0.00 C ATOM 944 C LEU A 55 -9.233 1.951 -0.488 1.00 0.00 C ATOM 945 O LEU A 55 -8.825 0.806 -0.291 1.00 0.00 O ATOM 946 CB LEU A 55 -7.671 3.674 -1.410 1.00 0.00 C ATOM 947 CG LEU A 55 -6.804 4.111 -2.592 1.00 0.00 C ATOM 948 CD1 LEU A 55 -5.693 5.038 -2.125 1.00 0.00 C ATOM 949 CD2 LEU A 55 -6.225 2.898 -3.305 1.00 0.00 C ATOM 0 H LEU A 55 -9.698 4.336 -2.755 1.00 0.00 H new ATOM 0 HA LEU A 55 -8.492 2.009 -2.493 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -8.085 4.566 -0.940 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -7.029 3.193 -0.672 1.00 0.00 H new ATOM 0 HG LEU A 55 -7.432 4.657 -3.297 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -5.087 5.338 -2.979 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -6.128 5.922 -1.660 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -5.066 4.518 -1.400 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -5.611 3.227 -4.143 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -5.612 2.325 -2.609 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -7.037 2.271 -3.674 1.00 0.00 H new ATOM 961 N HIS A 56 -10.044 2.585 0.353 1.00 0.00 N ATOM 962 CA HIS A 56 -10.512 1.957 1.583 1.00 0.00 C ATOM 963 C HIS A 56 -11.103 0.579 1.300 1.00 0.00 C ATOM 964 O HIS A 56 -12.001 0.437 0.469 1.00 0.00 O ATOM 965 CB HIS A 56 -11.555 2.841 2.268 1.00 0.00 C ATOM 966 CG HIS A 56 -11.721 2.551 3.728 1.00 0.00 C ATOM 967 ND1 HIS A 56 -10.664 2.256 4.561 1.00 0.00 N ATOM 968 CD2 HIS A 56 -12.831 2.514 4.502 1.00 0.00 C ATOM 969 CE1 HIS A 56 -11.115 2.047 5.785 1.00 0.00 C ATOM 970 NE2 HIS A 56 -12.428 2.198 5.776 1.00 0.00 N ATOM 0 H HIS A 56 -10.390 3.533 0.205 1.00 0.00 H new ATOM 0 HA HIS A 56 -9.656 1.836 2.247 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -11.271 3.886 2.144 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -12.515 2.710 1.769 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -13.845 2.699 4.178 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -10.513 1.796 6.646 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -13.042 2.096 6.584 1.00 0.00 H new ATOM 978 N HIS A 57 -10.592 -0.433 1.994 1.00 0.00 N ATOM 979 CA HIS A 57 -11.070 -1.800 1.816 1.00 0.00 C ATOM 980 C HIS A 57 -10.810 -2.285 0.393 1.00 0.00 C ATOM 981 O HIS A 57 -11.610 -3.028 -0.175 1.00 0.00 O ATOM 982 CB HIS A 57 -12.563 -1.886 2.132 1.00 0.00 C ATOM 983 CG HIS A 57 -12.858 -2.057 3.591 1.00 0.00 C ATOM 984 ND1 HIS A 57 -14.003 -2.664 4.061 1.00 0.00 N ATOM 985 CD2 HIS A 57 -12.148 -1.697 4.686 1.00 0.00 C ATOM 986 CE1 HIS A 57 -13.985 -2.670 5.382 1.00 0.00 C ATOM 987 NE2 HIS A 57 -12.870 -2.089 5.786 1.00 0.00 N ATOM 0 H HIS A 57 -9.848 -0.333 2.684 1.00 0.00 H new ATOM 0 HA HIS A 57 -10.523 -2.443 2.506 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -13.054 -0.981 1.774 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -12.995 -2.722 1.582 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -11.192 -1.195 4.693 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -14.752 -3.080 6.023 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -12.591 -1.953 6.758 1.00 0.00 H new ATOM 995 N TYR A 58 -9.687 -1.860 -0.176 1.00 0.00 N ATOM 996 CA TYR A 58 -9.324 -2.249 -1.533 1.00 0.00 C ATOM 997 C TYR A 58 -8.572 -3.576 -1.537 1.00 0.00 C ATOM 998 O TYR A 58 -7.834 -3.888 -0.602 1.00 0.00 O ATOM 999 CB TYR A 58 -8.467 -1.162 -2.185 1.00 0.00 C ATOM 1000 CG TYR A 58 -8.034 -1.497 -3.595 1.00 0.00 C ATOM 1001 CD1 TYR A 58 -8.853 -1.211 -4.680 1.00 0.00 C ATOM 1002 CD2 TYR A 58 -6.807 -2.100 -3.841 1.00 0.00 C ATOM 1003 CE1 TYR A 58 -8.462 -1.516 -5.970 1.00 0.00 C ATOM 1004 CE2 TYR A 58 -6.407 -2.407 -5.127 1.00 0.00 C ATOM 1005 CZ TYR A 58 -7.238 -2.113 -6.188 1.00 0.00 C ATOM 1006 OH TYR A 58 -6.845 -2.418 -7.471 1.00 0.00 O ATOM 0 H TYR A 58 -9.013 -1.246 0.282 1.00 0.00 H new ATOM 0 HA TYR A 58 -10.243 -2.372 -2.107 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -9.028 -0.228 -2.199 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -7.581 -0.993 -1.572 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -9.812 -0.742 -4.513 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -6.155 -2.333 -3.012 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -9.111 -1.288 -6.803 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -5.449 -2.875 -5.301 1.00 0.00 H new ATOM 0 HH TYR A 58 -5.957 -2.833 -7.451 1.00 0.00 H new ATOM 1016 N LYS A 59 -8.765 -4.355 -2.596 1.00 0.00 N ATOM 1017 CA LYS A 59 -8.105 -5.648 -2.726 1.00 0.00 C ATOM 1018 C LYS A 59 -6.740 -5.499 -3.390 1.00 0.00 C ATOM 1019 O LYS A 59 -6.646 -5.310 -4.604 1.00 0.00 O ATOM 1020 CB LYS A 59 -8.976 -6.610 -3.537 1.00 0.00 C ATOM 1021 CG LYS A 59 -8.607 -8.071 -3.349 1.00 0.00 C ATOM 1022 CD LYS A 59 -9.705 -8.993 -3.853 1.00 0.00 C ATOM 1023 CE LYS A 59 -9.242 -10.441 -3.895 1.00 0.00 C ATOM 1024 NZ LYS A 59 -8.521 -10.755 -5.160 1.00 0.00 N ATOM 0 H LYS A 59 -9.374 -4.113 -3.377 1.00 0.00 H new ATOM 0 HA LYS A 59 -7.960 -6.055 -1.725 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -10.019 -6.468 -3.254 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -8.895 -6.357 -4.594 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -7.679 -8.284 -3.880 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -8.422 -8.267 -2.293 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -10.578 -8.908 -3.206 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -10.015 -8.680 -4.850 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -8.588 -10.638 -3.045 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -10.104 -11.101 -3.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -8.221 -11.751 -5.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -9.153 -10.591 -5.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -7.685 -10.143 -5.244 1.00 0.00 H new ATOM 1038 N LEU A 60 -5.684 -5.586 -2.589 1.00 0.00 N ATOM 1039 CA LEU A 60 -4.323 -5.462 -3.100 1.00 0.00 C ATOM 1040 C LEU A 60 -3.514 -6.720 -2.804 1.00 0.00 C ATOM 1041 O LEU A 60 -2.858 -6.819 -1.767 1.00 0.00 O ATOM 1042 CB LEU A 60 -3.635 -4.242 -2.484 1.00 0.00 C ATOM 1043 CG LEU A 60 -2.289 -3.852 -3.093 1.00 0.00 C ATOM 1044 CD1 LEU A 60 -2.457 -3.459 -4.553 1.00 0.00 C ATOM 1045 CD2 LEU A 60 -1.654 -2.717 -2.303 1.00 0.00 C ATOM 0 H LEU A 60 -5.744 -5.742 -1.583 1.00 0.00 H new ATOM 0 HA LEU A 60 -4.377 -5.333 -4.181 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -4.309 -3.389 -2.567 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -3.489 -4.431 -1.420 1.00 0.00 H new ATOM 0 HG LEU A 60 -1.627 -4.716 -3.045 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.488 -3.184 -4.970 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -2.867 -4.301 -5.111 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -3.137 -2.610 -4.625 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.696 -2.453 -2.751 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.314 -1.849 -2.319 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -1.497 -3.035 -1.272 1.00 0.00 H new ATOM 1057 N HIS A 61 -3.563 -7.679 -3.723 1.00 0.00 N ATOM 1058 CA HIS A 61 -2.831 -8.931 -3.563 1.00 0.00 C ATOM 1059 C HIS A 61 -3.511 -9.828 -2.533 1.00 0.00 C ATOM 1060 O HIS A 61 -2.857 -10.384 -1.651 1.00 0.00 O ATOM 1061 CB HIS A 61 -1.388 -8.652 -3.141 1.00 0.00 C ATOM 1062 CG HIS A 61 -0.759 -7.509 -3.876 1.00 0.00 C ATOM 1063 ND1 HIS A 61 -0.029 -6.462 -3.427 1.00 0.00 N flip ATOM 1064 CD2 HIS A 61 -0.849 -7.354 -5.244 1.00 0.00 C flip ATOM 1065 CE1 HIS A 61 0.307 -5.701 -4.520 1.00 0.00 C flip ATOM 1066 NE2 HIS A 61 -0.200 -6.261 -5.604 1.00 0.00 N flip ATOM 0 H HIS A 61 -4.102 -7.613 -4.586 1.00 0.00 H new ATOM 0 HA HIS A 61 -2.827 -9.447 -4.523 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -1.365 -8.442 -2.072 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -0.791 -9.550 -3.303 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -1.369 -8.022 -5.915 1.00 0.00 H new ATOM 0 HE1 HIS A 61 0.891 -4.793 -4.497 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -0.106 -5.909 -6.557 1.00 0.00 H new ATOM 1074 N GLY A 62 -4.828 -9.965 -2.651 1.00 0.00 N ATOM 1075 CA GLY A 62 -5.574 -10.795 -1.723 1.00 0.00 C ATOM 1076 C GLY A 62 -5.578 -10.232 -0.316 1.00 0.00 C ATOM 1077 O GLY A 62 -5.599 -10.982 0.661 1.00 0.00 O ATOM 0 H GLY A 62 -5.392 -9.516 -3.373 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.601 -10.894 -2.074 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -5.144 -11.796 -1.709 1.00 0.00 H new ATOM 1081 N VAL A 63 -5.558 -8.907 -0.210 1.00 0.00 N ATOM 1082 CA VAL A 63 -5.559 -8.244 1.088 1.00 0.00 C ATOM 1083 C VAL A 63 -6.503 -7.046 1.093 1.00 0.00 C ATOM 1084 O VAL A 63 -6.691 -6.388 0.071 1.00 0.00 O ATOM 1085 CB VAL A 63 -4.146 -7.771 1.479 1.00 0.00 C ATOM 1086 CG1 VAL A 63 -3.802 -6.472 0.767 1.00 0.00 C ATOM 1087 CG2 VAL A 63 -4.037 -7.608 2.987 1.00 0.00 C ATOM 0 H VAL A 63 -5.541 -8.272 -1.008 1.00 0.00 H new ATOM 0 HA VAL A 63 -5.903 -8.978 1.817 1.00 0.00 H new ATOM 0 HB VAL A 63 -3.428 -8.529 1.166 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -2.800 -6.153 1.055 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -3.837 -6.628 -0.311 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -4.522 -5.703 1.046 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -3.032 -7.273 3.245 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -4.764 -6.870 3.327 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -4.237 -8.564 3.472 1.00 0.00 H new ATOM 1097 N ASN A 64 -7.093 -6.770 2.251 1.00 0.00 N ATOM 1098 CA ASN A 64 -8.019 -5.651 2.389 1.00 0.00 C ATOM 1099 C ASN A 64 -7.375 -4.506 3.164 1.00 0.00 C ATOM 1100 O ASN A 64 -7.598 -4.354 4.366 1.00 0.00 O ATOM 1101 CB ASN A 64 -9.298 -6.104 3.095 1.00 0.00 C ATOM 1102 CG ASN A 64 -10.079 -7.118 2.281 1.00 0.00 C ATOM 1103 OD1 ASN A 64 -9.874 -8.325 2.410 1.00 0.00 O ATOM 1104 ND2 ASN A 64 -10.981 -6.630 1.437 1.00 0.00 N ATOM 0 H ASN A 64 -6.947 -7.305 3.107 1.00 0.00 H new ATOM 0 HA ASN A 64 -8.271 -5.294 1.390 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -9.042 -6.538 4.062 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -9.928 -5.237 3.291 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -11.537 -7.263 0.863 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -11.117 -5.622 1.363 1.00 0.00 H new ATOM 1111 N ILE A 65 -6.577 -3.702 2.469 1.00 0.00 N ATOM 1112 CA ILE A 65 -5.903 -2.570 3.092 1.00 0.00 C ATOM 1113 C ILE A 65 -6.910 -1.555 3.623 1.00 0.00 C ATOM 1114 O ILE A 65 -8.067 -1.536 3.205 1.00 0.00 O ATOM 1115 CB ILE A 65 -4.955 -1.866 2.103 1.00 0.00 C ATOM 1116 CG1 ILE A 65 -5.757 -1.134 1.026 1.00 0.00 C ATOM 1117 CG2 ILE A 65 -4.006 -2.874 1.471 1.00 0.00 C ATOM 1118 CD1 ILE A 65 -4.943 -0.126 0.245 1.00 0.00 C ATOM 0 H ILE A 65 -6.382 -3.814 1.474 1.00 0.00 H new ATOM 0 HA ILE A 65 -5.319 -2.968 3.922 1.00 0.00 H new ATOM 0 HB ILE A 65 -4.363 -1.132 2.650 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -6.174 -1.866 0.334 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -6.598 -0.624 1.495 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -3.342 -2.362 0.774 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -3.414 -3.354 2.250 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -4.581 -3.629 0.935 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -5.577 0.354 -0.501 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -4.548 0.628 0.925 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -4.117 -0.633 -0.253 1.00 0.00 H new ATOM 1130 N ASN A 66 -6.460 -0.711 4.546 1.00 0.00 N ATOM 1131 CA ASN A 66 -7.321 0.308 5.134 1.00 0.00 C ATOM 1132 C ASN A 66 -6.724 1.700 4.945 1.00 0.00 C ATOM 1133 O ASN A 66 -5.542 1.921 5.208 1.00 0.00 O ATOM 1134 CB ASN A 66 -7.533 0.030 6.623 1.00 0.00 C ATOM 1135 CG ASN A 66 -8.543 -1.075 6.867 1.00 0.00 C ATOM 1136 OD1 ASN A 66 -9.742 -0.820 6.982 1.00 0.00 O ATOM 1137 ND2 ASN A 66 -8.062 -2.310 6.947 1.00 0.00 N ATOM 0 H ASN A 66 -5.504 -0.713 4.903 1.00 0.00 H new ATOM 0 HA ASN A 66 -8.284 0.272 4.624 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -6.581 -0.245 7.078 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -7.870 0.942 7.116 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -8.694 -3.094 7.110 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -7.061 -2.475 6.846 1.00 0.00 H new ATOM 1144 N VAL A 67 -7.551 2.635 4.489 1.00 0.00 N ATOM 1145 CA VAL A 67 -7.106 4.006 4.266 1.00 0.00 C ATOM 1146 C VAL A 67 -7.789 4.969 5.231 1.00 0.00 C ATOM 1147 O VAL A 67 -9.014 4.978 5.350 1.00 0.00 O ATOM 1148 CB VAL A 67 -7.386 4.459 2.821 1.00 0.00 C ATOM 1149 CG1 VAL A 67 -6.814 5.848 2.577 1.00 0.00 C ATOM 1150 CG2 VAL A 67 -6.816 3.457 1.829 1.00 0.00 C ATOM 0 H VAL A 67 -8.532 2.469 4.267 1.00 0.00 H new ATOM 0 HA VAL A 67 -6.030 4.022 4.442 1.00 0.00 H new ATOM 0 HB VAL A 67 -8.465 4.506 2.676 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -7.021 6.152 1.551 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -7.274 6.557 3.265 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -5.736 5.831 2.740 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -7.023 3.793 0.813 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -5.738 3.376 1.972 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -7.277 2.483 1.990 1.00 0.00 H new ATOM 1160 N GLU A 68 -6.988 5.779 5.916 1.00 0.00 N ATOM 1161 CA GLU A 68 -7.517 6.746 6.871 1.00 0.00 C ATOM 1162 C GLU A 68 -6.961 8.140 6.597 1.00 0.00 C ATOM 1163 O GLU A 68 -5.779 8.301 6.295 1.00 0.00 O ATOM 1164 CB GLU A 68 -7.177 6.322 8.301 1.00 0.00 C ATOM 1165 CG GLU A 68 -8.092 5.238 8.848 1.00 0.00 C ATOM 1166 CD GLU A 68 -7.610 3.842 8.507 1.00 0.00 C ATOM 1167 OE1 GLU A 68 -7.655 3.475 7.314 1.00 0.00 O ATOM 1168 OE2 GLU A 68 -7.190 3.116 9.432 1.00 0.00 O ATOM 0 H GLU A 68 -5.972 5.785 5.828 1.00 0.00 H new ATOM 0 HA GLU A 68 -8.601 6.776 6.756 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -6.147 5.966 8.330 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -7.231 7.194 8.952 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -8.163 5.340 9.931 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -9.096 5.379 8.448 1.00 0.00 H new ATOM 1175 N ALA A 69 -7.823 9.146 6.704 1.00 0.00 N ATOM 1176 CA ALA A 69 -7.419 10.527 6.470 1.00 0.00 C ATOM 1177 C ALA A 69 -6.613 11.070 7.645 1.00 0.00 C ATOM 1178 O ALA A 69 -7.177 11.551 8.628 1.00 0.00 O ATOM 1179 CB ALA A 69 -8.641 11.398 6.218 1.00 0.00 C ATOM 0 H ALA A 69 -8.806 9.030 6.951 1.00 0.00 H new ATOM 0 HA ALA A 69 -6.782 10.549 5.586 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -8.325 12.427 6.045 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -9.176 11.030 5.342 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -9.299 11.362 7.086 1.00 0.00 H new ATOM 1185 N SER A 70 -5.291 10.990 7.536 1.00 0.00 N ATOM 1186 CA SER A 70 -4.406 11.469 8.592 1.00 0.00 C ATOM 1187 C SER A 70 -4.793 12.880 9.025 1.00 0.00 C ATOM 1188 O SER A 70 -5.019 13.758 8.191 1.00 0.00 O ATOM 1189 CB SER A 70 -2.952 11.449 8.117 1.00 0.00 C ATOM 1190 OG SER A 70 -2.064 11.246 9.202 1.00 0.00 O ATOM 0 H SER A 70 -4.809 10.598 6.727 1.00 0.00 H new ATOM 0 HA SER A 70 -4.509 10.803 9.449 1.00 0.00 H new ATOM 0 HB2 SER A 70 -2.818 10.657 7.380 1.00 0.00 H new ATOM 0 HB3 SER A 70 -2.715 12.390 7.620 1.00 0.00 H new ATOM 0 HG SER A 70 -1.203 10.921 8.864 1.00 0.00 H new ATOM 1196 N LYS A 71 -4.866 13.092 10.334 1.00 0.00 N ATOM 1197 CA LYS A 71 -5.223 14.395 10.881 1.00 0.00 C ATOM 1198 C LYS A 71 -4.703 14.549 12.306 1.00 0.00 C ATOM 1199 O LYS A 71 -5.217 13.928 13.235 1.00 0.00 O ATOM 1200 CB LYS A 71 -6.742 14.582 10.858 1.00 0.00 C ATOM 1201 CG LYS A 71 -7.268 15.134 9.545 1.00 0.00 C ATOM 1202 CD LYS A 71 -8.690 15.650 9.686 1.00 0.00 C ATOM 1203 CE LYS A 71 -8.964 16.798 8.726 1.00 0.00 C ATOM 1204 NZ LYS A 71 -8.215 18.028 9.104 1.00 0.00 N ATOM 0 H LYS A 71 -4.682 12.376 11.037 1.00 0.00 H new ATOM 0 HA LYS A 71 -4.759 15.161 10.260 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -7.221 13.623 11.057 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -7.029 15.255 11.666 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -6.620 15.941 9.203 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -7.237 14.355 8.783 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -9.393 14.839 9.495 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -8.858 15.983 10.710 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -8.686 16.500 7.715 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -10.032 17.013 8.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -8.692 18.861 8.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -8.183 18.110 10.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -7.246 17.972 8.731 1.00 0.00 H new ATOM 1218 N ASN A 72 -3.680 15.382 12.471 1.00 0.00 N ATOM 1219 CA ASN A 72 -3.091 15.618 13.785 1.00 0.00 C ATOM 1220 C ASN A 72 -4.085 16.311 14.710 1.00 0.00 C ATOM 1221 O ASN A 72 -4.885 17.139 14.273 1.00 0.00 O ATOM 1222 CB ASN A 72 -1.823 16.464 13.653 1.00 0.00 C ATOM 1223 CG ASN A 72 -0.755 15.781 12.821 1.00 0.00 C ATOM 1224 OD1 ASN A 72 -0.890 15.651 11.604 1.00 0.00 O ATOM 1225 ND2 ASN A 72 0.313 15.340 13.475 1.00 0.00 N ATOM 0 H ASN A 72 -3.242 15.904 11.712 1.00 0.00 H new ATOM 0 HA ASN A 72 -2.832 14.652 14.219 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -2.075 17.423 13.199 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -1.426 16.676 14.646 1.00 0.00 H new ATOM 0 HD21 ASN A 72 1.064 14.872 12.968 1.00 0.00 H new ATOM 0 HD22 ASN A 72 0.382 15.470 14.484 1.00 0.00 H new ATOM 1232 N LYS A 73 -4.029 15.969 15.993 1.00 0.00 N ATOM 1233 CA LYS A 73 -4.922 16.559 16.983 1.00 0.00 C ATOM 1234 C LYS A 73 -4.224 16.697 18.332 1.00 0.00 C ATOM 1235 O LYS A 73 -3.155 16.128 18.549 1.00 0.00 O ATOM 1236 CB LYS A 73 -6.184 15.707 17.134 1.00 0.00 C ATOM 1237 CG LYS A 73 -7.383 16.482 17.652 1.00 0.00 C ATOM 1238 CD LYS A 73 -8.691 15.814 17.260 1.00 0.00 C ATOM 1239 CE LYS A 73 -9.167 16.281 15.893 1.00 0.00 C ATOM 1240 NZ LYS A 73 -10.209 15.379 15.331 1.00 0.00 N ATOM 0 H LYS A 73 -3.374 15.285 16.372 1.00 0.00 H new ATOM 0 HA LYS A 73 -5.202 17.553 16.636 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -6.435 15.270 16.168 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -5.975 14.881 17.813 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -7.325 16.561 18.738 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -7.359 17.498 17.257 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -8.560 14.732 17.251 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -9.453 16.036 18.007 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -9.567 17.292 15.973 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -8.319 16.327 15.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -10.507 15.731 14.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -9.820 14.420 15.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -11.029 15.355 15.970 1.00 0.00 H new ATOM 1254 N SER A 74 -4.838 17.454 19.236 1.00 0.00 N ATOM 1255 CA SER A 74 -4.274 17.668 20.564 1.00 0.00 C ATOM 1256 C SER A 74 -5.324 18.233 21.516 1.00 0.00 C ATOM 1257 O SER A 74 -6.046 19.170 21.176 1.00 0.00 O ATOM 1258 CB SER A 74 -3.076 18.616 20.486 1.00 0.00 C ATOM 1259 OG SER A 74 -3.323 19.675 19.577 1.00 0.00 O ATOM 0 H SER A 74 -5.726 17.929 19.073 1.00 0.00 H new ATOM 0 HA SER A 74 -3.941 16.704 20.950 1.00 0.00 H new ATOM 0 HB2 SER A 74 -2.865 19.023 21.475 1.00 0.00 H new ATOM 0 HB3 SER A 74 -2.190 18.063 20.173 1.00 0.00 H new ATOM 0 HG SER A 74 -2.543 20.268 19.546 1.00 0.00 H new ATOM 1265 N LYS A 75 -5.403 17.656 22.710 1.00 0.00 N ATOM 1266 CA LYS A 75 -6.362 18.101 23.713 1.00 0.00 C ATOM 1267 C LYS A 75 -5.698 18.234 25.080 1.00 0.00 C ATOM 1268 O LYS A 75 -4.655 17.633 25.335 1.00 0.00 O ATOM 1269 CB LYS A 75 -7.534 17.121 23.798 1.00 0.00 C ATOM 1270 CG LYS A 75 -7.113 15.692 24.092 1.00 0.00 C ATOM 1271 CD LYS A 75 -7.052 15.425 25.587 1.00 0.00 C ATOM 1272 CE LYS A 75 -8.434 15.150 26.160 1.00 0.00 C ATOM 1273 NZ LYS A 75 -8.486 15.402 27.627 1.00 0.00 N ATOM 0 H LYS A 75 -4.814 16.878 23.007 1.00 0.00 H new ATOM 0 HA LYS A 75 -6.735 19.080 23.413 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -8.221 17.456 24.576 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -8.083 17.142 22.857 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -7.816 15.001 23.627 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -6.137 15.501 23.647 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -6.401 14.572 25.779 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -6.611 16.284 26.093 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -9.168 15.780 25.657 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -8.711 14.115 25.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -9.444 15.203 27.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -7.804 14.783 28.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -8.246 16.396 27.817 1.00 0.00 H new ATOM 1287 N ALA A 76 -6.310 19.024 25.956 1.00 0.00 N ATOM 1288 CA ALA A 76 -5.780 19.233 27.297 1.00 0.00 C ATOM 1289 C ALA A 76 -6.839 19.824 28.221 1.00 0.00 C ATOM 1290 O ALA A 76 -7.538 20.770 27.855 1.00 0.00 O ATOM 1291 CB ALA A 76 -4.557 20.137 27.247 1.00 0.00 C ATOM 0 H ALA A 76 -7.174 19.530 25.760 1.00 0.00 H new ATOM 0 HA ALA A 76 -5.485 18.263 27.699 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -4.172 20.284 28.256 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -3.788 19.674 26.629 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -4.834 21.101 26.820 1.00 0.00 H new ATOM 1297 N SER A 77 -6.955 19.261 29.419 1.00 0.00 N ATOM 1298 CA SER A 77 -7.933 19.729 30.394 1.00 0.00 C ATOM 1299 C SER A 77 -7.328 20.797 31.300 1.00 0.00 C ATOM 1300 O SER A 77 -6.584 20.488 32.231 1.00 0.00 O ATOM 1301 CB SER A 77 -8.446 18.560 31.236 1.00 0.00 C ATOM 1302 OG SER A 77 -9.331 19.009 32.247 1.00 0.00 O ATOM 0 H SER A 77 -6.383 18.479 29.738 1.00 0.00 H new ATOM 0 HA SER A 77 -8.769 20.169 29.850 1.00 0.00 H new ATOM 0 HB2 SER A 77 -8.957 17.842 30.594 1.00 0.00 H new ATOM 0 HB3 SER A 77 -7.604 18.038 31.691 1.00 0.00 H new ATOM 0 HG SER A 77 -9.646 18.242 32.770 1.00 0.00 H new ATOM 1308 N SER A 78 -7.653 22.055 31.020 1.00 0.00 N ATOM 1309 CA SER A 78 -7.139 23.171 31.807 1.00 0.00 C ATOM 1310 C SER A 78 -8.195 24.262 31.955 1.00 0.00 C ATOM 1311 O SER A 78 -9.268 24.189 31.359 1.00 0.00 O ATOM 1312 CB SER A 78 -5.881 23.746 31.154 1.00 0.00 C ATOM 1313 OG SER A 78 -6.031 23.833 29.748 1.00 0.00 O ATOM 0 H SER A 78 -8.270 22.327 30.254 1.00 0.00 H new ATOM 0 HA SER A 78 -6.885 22.799 32.800 1.00 0.00 H new ATOM 0 HB2 SER A 78 -5.675 24.735 31.563 1.00 0.00 H new ATOM 0 HB3 SER A 78 -5.023 23.117 31.393 1.00 0.00 H new ATOM 0 HG SER A 78 -5.214 24.205 29.354 1.00 0.00 H new ATOM 1319 N GLY A 79 -7.880 25.277 32.755 1.00 0.00 N ATOM 1320 CA GLY A 79 -8.810 26.370 32.968 1.00 0.00 C ATOM 1321 C GLY A 79 -8.592 27.066 34.297 1.00 0.00 C ATOM 1322 O GLY A 79 -9.367 26.907 35.240 1.00 0.00 O ATOM 0 H GLY A 79 -6.997 25.361 33.259 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -8.705 27.095 32.160 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -9.830 25.989 32.924 1.00 0.00 H new ATOM 1326 N PRO A 80 -7.513 27.858 34.384 1.00 0.00 N ATOM 1327 CA PRO A 80 -7.170 28.596 35.603 1.00 0.00 C ATOM 1328 C PRO A 80 -8.032 29.840 35.791 1.00 0.00 C ATOM 1329 O PRO A 80 -8.718 30.276 34.867 1.00 0.00 O ATOM 1330 CB PRO A 80 -5.707 28.989 35.380 1.00 0.00 C ATOM 1331 CG PRO A 80 -5.559 29.071 33.900 1.00 0.00 C ATOM 1332 CD PRO A 80 -6.546 28.095 33.299 1.00 0.00 C ATOM 0 HA PRO A 80 -7.334 27.999 36.500 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -5.476 29.943 35.854 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -5.029 28.249 35.805 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -5.757 30.084 33.549 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -4.541 28.823 33.600 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -7.031 28.510 32.415 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -6.057 27.171 32.990 1.00 0.00 H new ATOM 1340 N SER A 81 -7.994 30.405 36.993 1.00 0.00 N ATOM 1341 CA SER A 81 -8.775 31.597 37.303 1.00 0.00 C ATOM 1342 C SER A 81 -8.016 32.861 36.910 1.00 0.00 C ATOM 1343 O SER A 81 -6.786 32.870 36.862 1.00 0.00 O ATOM 1344 CB SER A 81 -9.117 31.636 38.793 1.00 0.00 C ATOM 1345 OG SER A 81 -7.948 31.529 39.587 1.00 0.00 O ATOM 0 H SER A 81 -7.431 30.057 37.769 1.00 0.00 H new ATOM 0 HA SER A 81 -9.699 31.555 36.727 1.00 0.00 H new ATOM 0 HB2 SER A 81 -9.635 32.566 39.026 1.00 0.00 H new ATOM 0 HB3 SER A 81 -9.800 30.822 39.034 1.00 0.00 H new ATOM 0 HG SER A 81 -8.193 31.558 40.535 1.00 0.00 H new ATOM 1351 N SER A 82 -8.759 33.927 36.631 1.00 0.00 N ATOM 1352 CA SER A 82 -8.158 35.197 36.239 1.00 0.00 C ATOM 1353 C SER A 82 -8.768 36.352 37.026 1.00 0.00 C ATOM 1354 O SER A 82 -9.934 36.698 36.841 1.00 0.00 O ATOM 1355 CB SER A 82 -8.345 35.432 34.739 1.00 0.00 C ATOM 1356 OG SER A 82 -7.416 34.673 33.984 1.00 0.00 O ATOM 0 H SER A 82 -9.778 33.937 36.669 1.00 0.00 H new ATOM 0 HA SER A 82 -7.092 35.151 36.462 1.00 0.00 H new ATOM 0 HB2 SER A 82 -9.361 35.162 34.449 1.00 0.00 H new ATOM 0 HB3 SER A 82 -8.221 36.492 34.515 1.00 0.00 H new ATOM 0 HG SER A 82 -7.557 34.839 33.029 1.00 0.00 H new ATOM 1362 N GLY A 83 -7.969 36.947 37.907 1.00 0.00 N ATOM 1363 CA GLY A 83 -8.446 38.058 38.710 1.00 0.00 C ATOM 1364 C GLY A 83 -7.399 39.139 38.885 1.00 0.00 C ATOM 1365 O GLY A 83 -6.386 39.151 38.185 1.00 0.00 O ATOM 0 H GLY A 83 -7.000 36.679 38.079 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -9.332 38.487 38.241 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -8.751 37.690 39.690 1.00 0.00 H new TER 1369 GLY A 83