USER MOD reduce.3.24.130724 H: found=0, std=0, add=633, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 633 hydrogens (5 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 3 ASN :FLIP amide:sc= 0.623 F(o=-0.68,f=1.9) USER MOD Set 1.2: A 72 TYR OH : rot 101:sc= 1.23 USER MOD Single : A 6 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0776) USER MOD Single : A 10 SER OG : rot 180:sc= -0.139 USER MOD Single : A 17 SER OG : rot 84:sc= 0.846 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0767) USER MOD Single : A 27 HIS : no HD1:sc= -0.0143 X(o=-0.014,f=-0.014) USER MOD Single : A 31 SER OG : rot 180:sc= -0.0909 USER MOD Single : A 37 LYS NZ :NH3+ -153:sc= -0.173 (180deg=-0.87) USER MOD Single : A 38 LYS NZ :NH3+ -163:sc= -0.0449 (180deg=-0.461) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN :FLIP amide:sc= -0.247 F(o=-1.8!,f=-0.25) USER MOD Single : A 45 ASN : amide:sc= -1.25 X(o=-1.2,f=-1) USER MOD Single : A 46 THR OG1 : rot -151:sc= 0.298 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN :FLIP amide:sc= -0.279 F(o=-2.2,f=-0.28) USER MOD Single : A 54 TYR OH : rot -71:sc= 0.638 USER MOD Single : A 56 LYS NZ :NH3+ 162:sc= -0.115 (180deg=-0.557) USER MOD Single : A 57 LYS NZ :NH3+ -127:sc= -0.0642 (180deg=-0.744) USER MOD Single : A 60 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.107) USER MOD Single : A 62 LYS NZ :NH3+ -149:sc= -0.152 (180deg=-0.954) USER MOD Single : A 64 LYS NZ :NH3+ -166:sc= -0.0121 (180deg=-0.18) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 161:sc= -0.0871 (180deg=-0.58) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ -149:sc= -0.202 (180deg=-1.06) USER MOD Single : A 82 BME O1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 3 -1.993 -11.828 2.928 1.00 0.00 N ATOM 2 CA ASN A 3 -0.712 -11.769 2.159 1.00 0.00 C ATOM 3 C ASN A 3 -0.863 -11.023 0.822 1.00 0.00 C ATOM 4 O ASN A 3 -1.966 -10.745 0.397 1.00 0.00 O ATOM 5 CB ASN A 3 -0.254 -13.214 1.905 1.00 0.00 C ATOM 6 CG ASN A 3 -1.413 -13.971 1.232 1.00 0.00 C ATOM 7 OD1 ASN A 3 -1.416 -14.104 -0.065 1.00 0.00 O flip ATOM 8 ND2 ASN A 3 -2.328 -14.436 1.883 1.00 0.00 N flip ATOM 0 HA ASN A 3 0.024 -11.215 2.742 1.00 0.00 H new ATOM 0 HB2 ASN A 3 0.630 -13.227 1.268 1.00 0.00 H new ATOM 0 HB3 ASN A 3 0.022 -13.696 2.843 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -2.334 -14.337 2.898 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -3.090 -14.926 1.414 1.00 0.00 H new ATOM 15 N ALA A 4 0.277 -10.737 0.232 1.00 0.00 N ATOM 16 CA ALA A 4 0.405 -10.016 -1.081 1.00 0.00 C ATOM 17 C ALA A 4 0.267 -8.502 -0.843 1.00 0.00 C ATOM 18 O ALA A 4 -0.791 -7.940 -1.048 1.00 0.00 O ATOM 19 CB ALA A 4 -0.689 -10.484 -2.099 1.00 0.00 C ATOM 0 H ALA A 4 1.179 -10.991 0.635 1.00 0.00 H new ATOM 0 HA ALA A 4 1.383 -10.246 -1.504 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -0.568 -9.943 -3.038 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -0.583 -11.554 -2.280 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -1.678 -10.282 -1.689 1.00 0.00 H new ATOM 25 N PRO A 5 1.343 -7.879 -0.405 1.00 0.00 N ATOM 26 CA PRO A 5 1.409 -6.403 -0.219 1.00 0.00 C ATOM 27 C PRO A 5 0.930 -5.673 -1.480 1.00 0.00 C ATOM 28 O PRO A 5 1.657 -5.536 -2.446 1.00 0.00 O ATOM 29 CB PRO A 5 2.877 -6.145 0.145 1.00 0.00 C ATOM 30 CG PRO A 5 3.283 -7.454 0.863 1.00 0.00 C ATOM 31 CD PRO A 5 2.631 -8.529 -0.026 1.00 0.00 C ATOM 0 HA PRO A 5 0.750 -6.022 0.561 1.00 0.00 H new ATOM 0 HB2 PRO A 5 3.487 -5.962 -0.739 1.00 0.00 H new ATOM 0 HB3 PRO A 5 2.987 -5.276 0.794 1.00 0.00 H new ATOM 0 HG2 PRO A 5 4.365 -7.571 0.915 1.00 0.00 H new ATOM 0 HG3 PRO A 5 2.909 -7.490 1.886 1.00 0.00 H new ATOM 0 HD2 PRO A 5 3.242 -8.763 -0.898 1.00 0.00 H new ATOM 0 HD3 PRO A 5 2.473 -9.463 0.513 1.00 0.00 H new ATOM 39 N LYS A 6 -0.300 -5.233 -1.421 1.00 0.00 N ATOM 40 CA LYS A 6 -0.924 -4.501 -2.563 1.00 0.00 C ATOM 41 C LYS A 6 -0.138 -3.192 -2.699 1.00 0.00 C ATOM 42 O LYS A 6 0.703 -2.892 -1.873 1.00 0.00 O ATOM 43 CB LYS A 6 -2.412 -4.208 -2.235 1.00 0.00 C ATOM 44 CG LYS A 6 -3.311 -4.332 -3.495 1.00 0.00 C ATOM 45 CD LYS A 6 -4.014 -5.718 -3.470 1.00 0.00 C ATOM 46 CE LYS A 6 -4.956 -5.880 -4.680 1.00 0.00 C ATOM 47 NZ LYS A 6 -4.179 -5.933 -5.950 1.00 0.00 N ATOM 0 H LYS A 6 -0.910 -5.353 -0.613 1.00 0.00 H new ATOM 0 HA LYS A 6 -0.894 -5.077 -3.488 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -2.760 -4.902 -1.470 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -2.503 -3.204 -1.820 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -4.052 -3.533 -3.511 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -2.711 -4.229 -4.399 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -3.265 -6.510 -3.479 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -4.581 -5.826 -2.546 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -5.544 -6.791 -4.570 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -5.660 -5.048 -4.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -4.815 -6.177 -6.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -3.745 -5.005 -6.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -3.434 -6.654 -5.871 1.00 0.00 H new ATOM 61 N ARG A 7 -0.424 -2.438 -3.724 1.00 0.00 N ATOM 62 CA ARG A 7 0.324 -1.163 -3.891 1.00 0.00 C ATOM 63 C ARG A 7 -0.026 -0.168 -2.752 1.00 0.00 C ATOM 64 O ARG A 7 -1.163 0.250 -2.660 1.00 0.00 O ATOM 65 CB ARG A 7 -0.036 -0.586 -5.279 1.00 0.00 C ATOM 66 CG ARG A 7 0.677 0.771 -5.516 1.00 0.00 C ATOM 67 CD ARG A 7 0.419 1.249 -6.960 1.00 0.00 C ATOM 68 NE ARG A 7 1.084 0.294 -7.903 1.00 0.00 N ATOM 69 CZ ARG A 7 0.378 -0.384 -8.770 1.00 0.00 C ATOM 70 NH1 ARG A 7 -0.386 0.253 -9.613 1.00 0.00 N ATOM 71 NH2 ARG A 7 0.471 -1.686 -8.767 1.00 0.00 N ATOM 0 H ARG A 7 -1.125 -2.642 -4.436 1.00 0.00 H new ATOM 0 HA ARG A 7 1.398 -1.339 -3.833 1.00 0.00 H new ATOM 0 HB2 ARG A 7 0.252 -1.293 -6.057 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -1.115 -0.452 -5.353 1.00 0.00 H new ATOM 0 HG2 ARG A 7 0.312 1.513 -4.806 1.00 0.00 H new ATOM 0 HG3 ARG A 7 1.748 0.665 -5.344 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -0.652 1.293 -7.159 1.00 0.00 H new ATOM 0 HD3 ARG A 7 0.811 2.256 -7.101 1.00 0.00 H new ATOM 0 HE ARG A 7 2.096 0.172 -7.869 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -0.429 1.272 -9.593 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -0.940 -0.268 -10.293 1.00 0.00 H new ATOM 0 HH21 ARG A 7 1.084 -2.152 -8.098 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -0.070 -2.237 -9.433 1.00 0.00 H new ATOM 85 N PRO A 8 0.944 0.181 -1.919 1.00 0.00 N ATOM 86 CA PRO A 8 0.747 1.114 -0.760 1.00 0.00 C ATOM 87 C PRO A 8 0.298 2.523 -1.242 1.00 0.00 C ATOM 88 O PRO A 8 0.102 2.692 -2.431 1.00 0.00 O ATOM 89 CB PRO A 8 2.122 1.086 -0.052 1.00 0.00 C ATOM 90 CG PRO A 8 3.105 0.800 -1.199 1.00 0.00 C ATOM 91 CD PRO A 8 2.368 -0.273 -2.002 1.00 0.00 C ATOM 0 HA PRO A 8 -0.052 0.823 -0.078 1.00 0.00 H new ATOM 0 HB2 PRO A 8 2.341 2.034 0.438 1.00 0.00 H new ATOM 0 HB3 PRO A 8 2.164 0.313 0.715 1.00 0.00 H new ATOM 0 HG2 PRO A 8 3.303 1.690 -1.796 1.00 0.00 H new ATOM 0 HG3 PRO A 8 4.067 0.443 -0.831 1.00 0.00 H new ATOM 0 HD2 PRO A 8 2.719 -0.321 -3.033 1.00 0.00 H new ATOM 0 HD3 PRO A 8 2.503 -1.266 -1.573 1.00 0.00 H new ATOM 99 N PRO A 9 0.132 3.476 -0.340 1.00 0.00 N ATOM 100 CA PRO A 9 -0.015 4.935 -0.662 1.00 0.00 C ATOM 101 C PRO A 9 0.591 5.476 -1.980 1.00 0.00 C ATOM 102 O PRO A 9 1.384 4.831 -2.642 1.00 0.00 O ATOM 103 CB PRO A 9 0.544 5.591 0.594 1.00 0.00 C ATOM 104 CG PRO A 9 -0.096 4.705 1.692 1.00 0.00 C ATOM 105 CD PRO A 9 0.063 3.265 1.143 1.00 0.00 C ATOM 0 HA PRO A 9 -1.055 5.168 -0.890 1.00 0.00 H new ATOM 0 HB2 PRO A 9 1.633 5.565 0.624 1.00 0.00 H new ATOM 0 HB3 PRO A 9 0.248 6.636 0.681 1.00 0.00 H new ATOM 0 HG2 PRO A 9 0.410 4.826 2.650 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -1.144 4.959 1.851 1.00 0.00 H new ATOM 0 HD2 PRO A 9 0.964 2.785 1.525 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -0.779 2.631 1.422 1.00 0.00 H new ATOM 113 N SER A 10 0.201 6.681 -2.306 1.00 0.00 N ATOM 114 CA SER A 10 0.681 7.353 -3.557 1.00 0.00 C ATOM 115 C SER A 10 1.838 8.351 -3.386 1.00 0.00 C ATOM 116 O SER A 10 2.851 8.231 -4.048 1.00 0.00 O ATOM 117 CB SER A 10 -0.528 8.075 -4.199 1.00 0.00 C ATOM 118 OG SER A 10 -1.016 8.951 -3.188 1.00 0.00 O ATOM 0 H SER A 10 -0.443 7.241 -1.748 1.00 0.00 H new ATOM 0 HA SER A 10 1.094 6.564 -4.185 1.00 0.00 H new ATOM 0 HB2 SER A 10 -0.230 8.628 -5.090 1.00 0.00 H new ATOM 0 HB3 SER A 10 -1.294 7.363 -4.508 1.00 0.00 H new ATOM 0 HG SER A 10 -1.789 9.447 -3.530 1.00 0.00 H new ATOM 124 N ALA A 11 1.622 9.282 -2.496 1.00 0.00 N ATOM 125 CA ALA A 11 2.557 10.392 -2.125 1.00 0.00 C ATOM 126 C ALA A 11 1.584 11.476 -1.672 1.00 0.00 C ATOM 127 O ALA A 11 1.797 12.173 -0.698 1.00 0.00 O ATOM 128 CB ALA A 11 3.352 10.920 -3.326 1.00 0.00 C ATOM 0 H ALA A 11 0.753 9.318 -1.963 1.00 0.00 H new ATOM 0 HA ALA A 11 3.300 10.078 -1.392 1.00 0.00 H new ATOM 0 HB1 ALA A 11 4.013 11.723 -3.000 1.00 0.00 H new ATOM 0 HB2 ALA A 11 3.945 10.112 -3.753 1.00 0.00 H new ATOM 0 HB3 ALA A 11 2.663 11.301 -4.079 1.00 0.00 H new ATOM 134 N PHE A 12 0.512 11.571 -2.424 1.00 0.00 N ATOM 135 CA PHE A 12 -0.536 12.571 -2.107 1.00 0.00 C ATOM 136 C PHE A 12 -1.346 11.997 -0.963 1.00 0.00 C ATOM 137 O PHE A 12 -2.144 12.687 -0.380 1.00 0.00 O ATOM 138 CB PHE A 12 -1.363 12.823 -3.410 1.00 0.00 C ATOM 139 CG PHE A 12 -2.891 12.652 -3.511 1.00 0.00 C ATOM 140 CD1 PHE A 12 -3.769 13.218 -2.607 1.00 0.00 C ATOM 141 CD2 PHE A 12 -3.406 11.939 -4.574 1.00 0.00 C ATOM 142 CE1 PHE A 12 -5.133 13.076 -2.760 1.00 0.00 C ATOM 143 CE2 PHE A 12 -4.767 11.802 -4.725 1.00 0.00 C ATOM 144 CZ PHE A 12 -5.633 12.364 -3.820 1.00 0.00 C ATOM 0 H PHE A 12 0.325 10.994 -3.244 1.00 0.00 H new ATOM 0 HA PHE A 12 -0.149 13.539 -1.790 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -1.152 13.849 -3.710 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -0.934 12.173 -4.173 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -3.383 13.779 -1.769 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -2.738 11.486 -5.291 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -5.806 13.525 -2.045 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -5.158 11.246 -5.564 1.00 0.00 H new ATOM 0 HZ PHE A 12 -6.700 12.246 -3.942 1.00 0.00 H new ATOM 154 N PHE A 13 -1.119 10.750 -0.642 1.00 0.00 N ATOM 155 CA PHE A 13 -1.889 10.155 0.474 1.00 0.00 C ATOM 156 C PHE A 13 -1.445 10.884 1.762 1.00 0.00 C ATOM 157 O PHE A 13 -2.271 11.271 2.559 1.00 0.00 O ATOM 158 CB PHE A 13 -1.579 8.659 0.570 1.00 0.00 C ATOM 159 CG PHE A 13 -2.878 7.970 0.999 1.00 0.00 C ATOM 160 CD1 PHE A 13 -3.853 7.704 0.051 1.00 0.00 C ATOM 161 CD2 PHE A 13 -3.109 7.628 2.317 1.00 0.00 C ATOM 162 CE1 PHE A 13 -5.041 7.106 0.417 1.00 0.00 C ATOM 163 CE2 PHE A 13 -4.298 7.030 2.683 1.00 0.00 C ATOM 164 CZ PHE A 13 -5.263 6.769 1.733 1.00 0.00 C ATOM 0 H PHE A 13 -0.446 10.133 -1.098 1.00 0.00 H new ATOM 0 HA PHE A 13 -2.963 10.265 0.322 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -1.234 8.272 -0.389 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -0.785 8.473 1.293 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -3.681 7.967 -0.982 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -2.356 7.829 3.065 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -5.796 6.902 -0.328 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -4.473 6.766 3.716 1.00 0.00 H new ATOM 0 HZ PHE A 13 -6.192 6.300 2.021 1.00 0.00 H new ATOM 174 N LEU A 14 -0.157 11.068 1.938 1.00 0.00 N ATOM 175 CA LEU A 14 0.354 11.770 3.164 1.00 0.00 C ATOM 176 C LEU A 14 -0.373 13.135 3.223 1.00 0.00 C ATOM 177 O LEU A 14 -1.041 13.491 4.175 1.00 0.00 O ATOM 178 CB LEU A 14 1.897 11.985 3.056 1.00 0.00 C ATOM 179 CG LEU A 14 2.783 10.693 2.905 1.00 0.00 C ATOM 180 CD1 LEU A 14 2.376 9.541 3.848 1.00 0.00 C ATOM 181 CD2 LEU A 14 2.900 10.196 1.445 1.00 0.00 C ATOM 0 H LEU A 14 0.565 10.762 1.285 1.00 0.00 H new ATOM 0 HA LEU A 14 0.165 11.184 4.063 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.091 12.632 2.201 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.228 12.523 3.944 1.00 0.00 H new ATOM 0 HG LEU A 14 3.775 11.019 3.218 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.033 8.687 3.684 1.00 0.00 H new ATOM 0 HD12 LEU A 14 2.461 9.871 4.883 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.346 9.250 3.644 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.524 9.303 1.414 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.908 9.959 1.061 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.351 10.975 0.830 1.00 0.00 H new ATOM 193 N PHE A 15 -0.187 13.851 2.147 1.00 0.00 N ATOM 194 CA PHE A 15 -0.785 15.204 1.946 1.00 0.00 C ATOM 195 C PHE A 15 -2.295 15.206 2.330 1.00 0.00 C ATOM 196 O PHE A 15 -2.740 15.948 3.185 1.00 0.00 O ATOM 197 CB PHE A 15 -0.479 15.507 0.458 1.00 0.00 C ATOM 198 CG PHE A 15 -1.232 16.676 -0.196 1.00 0.00 C ATOM 199 CD1 PHE A 15 -1.167 17.972 0.286 1.00 0.00 C ATOM 200 CD2 PHE A 15 -1.984 16.416 -1.330 1.00 0.00 C ATOM 201 CE1 PHE A 15 -1.847 18.978 -0.373 1.00 0.00 C ATOM 202 CE2 PHE A 15 -2.659 17.426 -1.976 1.00 0.00 C ATOM 203 CZ PHE A 15 -2.590 18.706 -1.499 1.00 0.00 C ATOM 0 H PHE A 15 0.383 13.537 1.362 1.00 0.00 H new ATOM 0 HA PHE A 15 -0.376 15.986 2.585 1.00 0.00 H new ATOM 0 HB2 PHE A 15 0.590 15.702 0.367 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -0.689 14.606 -0.119 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -0.589 18.195 1.171 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -2.041 15.407 -1.712 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -1.795 19.990 0.000 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -3.242 17.208 -2.858 1.00 0.00 H new ATOM 0 HZ PHE A 15 -3.117 19.501 -2.005 1.00 0.00 H new ATOM 213 N CYS A 16 -3.017 14.348 1.658 1.00 0.00 N ATOM 214 CA CYS A 16 -4.495 14.166 1.854 1.00 0.00 C ATOM 215 C CYS A 16 -4.849 13.952 3.324 1.00 0.00 C ATOM 216 O CYS A 16 -5.775 14.551 3.829 1.00 0.00 O ATOM 217 CB CYS A 16 -5.002 12.942 1.045 1.00 0.00 C ATOM 218 SG CYS A 16 -4.826 11.275 1.729 1.00 0.00 S ATOM 0 H CYS A 16 -2.625 13.734 0.945 1.00 0.00 H new ATOM 0 HA CYS A 16 -4.976 15.079 1.502 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -6.062 13.101 0.845 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -4.491 12.954 0.083 1.00 0.00 H new ATOM 223 N SER A 17 -4.107 13.095 3.975 1.00 0.00 N ATOM 224 CA SER A 17 -4.368 12.816 5.415 1.00 0.00 C ATOM 225 C SER A 17 -4.331 14.118 6.222 1.00 0.00 C ATOM 226 O SER A 17 -5.184 14.369 7.052 1.00 0.00 O ATOM 227 CB SER A 17 -3.300 11.837 5.945 1.00 0.00 C ATOM 228 OG SER A 17 -3.413 10.701 5.099 1.00 0.00 O ATOM 0 H SER A 17 -3.329 12.575 3.568 1.00 0.00 H new ATOM 0 HA SER A 17 -5.357 12.370 5.522 1.00 0.00 H new ATOM 0 HB2 SER A 17 -2.302 12.272 5.895 1.00 0.00 H new ATOM 0 HB3 SER A 17 -3.482 11.576 6.988 1.00 0.00 H new ATOM 0 HG SER A 17 -2.896 10.851 4.280 1.00 0.00 H new ATOM 234 N GLU A 18 -3.324 14.899 5.926 1.00 0.00 N ATOM 235 CA GLU A 18 -3.114 16.211 6.601 1.00 0.00 C ATOM 236 C GLU A 18 -4.116 17.276 6.102 1.00 0.00 C ATOM 237 O GLU A 18 -4.187 18.368 6.631 1.00 0.00 O ATOM 238 CB GLU A 18 -1.669 16.633 6.316 1.00 0.00 C ATOM 239 CG GLU A 18 -1.319 17.924 7.088 1.00 0.00 C ATOM 240 CD GLU A 18 0.164 18.275 6.873 1.00 0.00 C ATOM 241 OE1 GLU A 18 0.476 18.621 5.745 1.00 0.00 O ATOM 242 OE2 GLU A 18 0.897 18.177 7.843 1.00 0.00 O ATOM 0 H GLU A 18 -2.620 14.673 5.224 1.00 0.00 H new ATOM 0 HA GLU A 18 -3.285 16.117 7.673 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -0.987 15.833 6.605 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.536 16.795 5.246 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -1.950 18.745 6.747 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.520 17.789 8.151 1.00 0.00 H new ATOM 249 N TYR A 19 -4.870 16.920 5.097 1.00 0.00 N ATOM 250 CA TYR A 19 -5.884 17.845 4.502 1.00 0.00 C ATOM 251 C TYR A 19 -7.305 17.591 4.968 1.00 0.00 C ATOM 252 O TYR A 19 -8.026 18.541 5.190 1.00 0.00 O ATOM 253 CB TYR A 19 -5.824 17.716 2.973 1.00 0.00 C ATOM 254 CG TYR A 19 -5.011 18.890 2.441 1.00 0.00 C ATOM 255 CD1 TYR A 19 -3.719 19.068 2.873 1.00 0.00 C ATOM 256 CD2 TYR A 19 -5.550 19.773 1.525 1.00 0.00 C ATOM 257 CE1 TYR A 19 -2.965 20.114 2.403 1.00 0.00 C ATOM 258 CE2 TYR A 19 -4.798 20.820 1.053 1.00 0.00 C ATOM 259 CZ TYR A 19 -3.496 21.002 1.486 1.00 0.00 C ATOM 260 OH TYR A 19 -2.739 22.056 1.019 1.00 0.00 O ATOM 0 H TYR A 19 -4.826 16.004 4.651 1.00 0.00 H new ATOM 0 HA TYR A 19 -5.630 18.850 4.838 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -5.363 16.771 2.687 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -6.828 17.723 2.549 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -3.293 18.379 3.588 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -6.565 19.639 1.180 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -1.951 20.244 2.751 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -5.226 21.507 0.338 1.00 0.00 H new ATOM 0 HH TYR A 19 -3.266 22.580 0.381 1.00 0.00 H new ATOM 270 N ARG A 20 -7.652 16.333 5.085 1.00 0.00 N ATOM 271 CA ARG A 20 -9.017 15.918 5.530 1.00 0.00 C ATOM 272 C ARG A 20 -9.824 17.025 6.228 1.00 0.00 C ATOM 273 O ARG A 20 -10.769 17.507 5.646 1.00 0.00 O ATOM 274 CB ARG A 20 -8.889 14.686 6.473 1.00 0.00 C ATOM 275 CG ARG A 20 -9.005 13.384 5.654 1.00 0.00 C ATOM 276 CD ARG A 20 -9.277 12.214 6.617 1.00 0.00 C ATOM 277 NE ARG A 20 -8.106 12.037 7.531 1.00 0.00 N ATOM 278 CZ ARG A 20 -7.550 10.863 7.634 1.00 0.00 C ATOM 279 NH1 ARG A 20 -6.732 10.463 6.700 1.00 0.00 N ATOM 280 NH2 ARG A 20 -7.840 10.126 8.673 1.00 0.00 N ATOM 0 H ARG A 20 -7.025 15.554 4.884 1.00 0.00 H new ATOM 0 HA ARG A 20 -9.575 15.673 4.626 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -7.932 14.714 6.994 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -9.668 14.717 7.235 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -9.811 13.468 4.925 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -8.086 13.207 5.095 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -10.179 12.409 7.198 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -9.453 11.298 6.053 1.00 0.00 H new ATOM 0 HE ARG A 20 -7.747 12.827 8.068 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -6.535 11.067 5.902 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -6.290 9.546 6.768 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -8.488 10.473 9.380 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -7.418 9.203 8.777 1.00 0.00 H new ATOM 294 N PRO A 21 -9.454 17.437 7.418 1.00 0.00 N ATOM 295 CA PRO A 21 -10.352 18.230 8.298 1.00 0.00 C ATOM 296 C PRO A 21 -10.327 19.730 7.938 1.00 0.00 C ATOM 297 O PRO A 21 -11.181 20.490 8.355 1.00 0.00 O ATOM 298 CB PRO A 21 -9.810 17.910 9.666 1.00 0.00 C ATOM 299 CG PRO A 21 -8.279 17.962 9.417 1.00 0.00 C ATOM 300 CD PRO A 21 -8.129 17.199 8.081 1.00 0.00 C ATOM 0 HA PRO A 21 -11.410 17.986 8.208 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -10.128 18.637 10.413 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -10.135 16.930 10.016 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -7.915 18.987 9.342 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -7.721 17.484 10.222 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -7.302 17.585 7.485 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -7.940 16.137 8.239 1.00 0.00 H new ATOM 308 N LYS A 22 -9.345 20.097 7.156 1.00 0.00 N ATOM 309 CA LYS A 22 -9.167 21.512 6.725 1.00 0.00 C ATOM 310 C LYS A 22 -9.965 21.827 5.455 1.00 0.00 C ATOM 311 O LYS A 22 -10.456 22.930 5.318 1.00 0.00 O ATOM 312 CB LYS A 22 -7.663 21.762 6.474 1.00 0.00 C ATOM 313 CG LYS A 22 -7.368 23.274 6.641 1.00 0.00 C ATOM 314 CD LYS A 22 -5.922 23.629 6.241 1.00 0.00 C ATOM 315 CE LYS A 22 -5.778 23.629 4.708 1.00 0.00 C ATOM 316 NZ LYS A 22 -4.393 24.034 4.326 1.00 0.00 N ATOM 0 H LYS A 22 -8.641 19.456 6.790 1.00 0.00 H new ATOM 0 HA LYS A 22 -9.541 22.166 7.513 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -7.063 21.182 7.175 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -7.389 21.433 5.471 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -8.064 23.849 6.030 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -7.539 23.564 7.678 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -5.657 24.609 6.638 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -5.229 22.910 6.678 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -5.997 22.637 4.314 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -6.501 24.315 4.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -4.304 24.032 3.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -4.198 24.989 4.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -3.710 23.364 4.734 1.00 0.00 H new ATOM 330 N ILE A 23 -10.096 20.875 4.562 1.00 0.00 N ATOM 331 CA ILE A 23 -10.863 21.157 3.310 1.00 0.00 C ATOM 332 C ILE A 23 -12.300 20.751 3.550 1.00 0.00 C ATOM 333 O ILE A 23 -13.211 21.252 2.927 1.00 0.00 O ATOM 334 CB ILE A 23 -10.262 20.371 2.112 1.00 0.00 C ATOM 335 CG1 ILE A 23 -9.957 18.895 2.463 1.00 0.00 C ATOM 336 CG2 ILE A 23 -8.962 21.096 1.696 1.00 0.00 C ATOM 337 CD1 ILE A 23 -9.604 18.119 1.182 1.00 0.00 C ATOM 0 H ILE A 23 -9.713 19.933 4.643 1.00 0.00 H new ATOM 0 HA ILE A 23 -10.808 22.217 3.062 1.00 0.00 H new ATOM 0 HB ILE A 23 -10.988 20.347 1.300 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -9.130 18.843 3.171 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -10.821 18.441 2.948 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -8.507 20.573 0.854 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -9.194 22.120 1.405 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -8.267 21.106 2.535 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -9.390 17.080 1.433 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -10.445 18.159 0.489 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -8.727 18.567 0.715 1.00 0.00 H new ATOM 349 N LYS A 24 -12.433 19.838 4.464 1.00 0.00 N ATOM 350 CA LYS A 24 -13.755 19.307 4.869 1.00 0.00 C ATOM 351 C LYS A 24 -14.403 20.370 5.775 1.00 0.00 C ATOM 352 O LYS A 24 -15.611 20.467 5.853 1.00 0.00 O ATOM 353 CB LYS A 24 -13.473 18.010 5.582 1.00 0.00 C ATOM 354 CG LYS A 24 -14.780 17.297 6.005 1.00 0.00 C ATOM 355 CD LYS A 24 -14.483 15.827 6.406 1.00 0.00 C ATOM 356 CE LYS A 24 -13.599 15.722 7.668 1.00 0.00 C ATOM 357 NZ LYS A 24 -14.332 16.229 8.865 1.00 0.00 N ATOM 0 H LYS A 24 -11.647 19.423 4.965 1.00 0.00 H new ATOM 0 HA LYS A 24 -14.443 19.111 4.046 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -12.894 17.355 4.931 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -12.862 18.204 6.463 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -15.236 17.825 6.842 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -15.497 17.320 5.185 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -15.424 15.305 6.582 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -13.988 15.321 5.577 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -13.305 14.685 7.827 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -12.683 16.295 7.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -13.787 16.012 9.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -14.457 17.258 8.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -15.264 15.770 8.922 1.00 0.00 H new ATOM 371 N GLY A 25 -13.555 21.134 6.427 1.00 0.00 N ATOM 372 CA GLY A 25 -14.031 22.213 7.344 1.00 0.00 C ATOM 373 C GLY A 25 -14.507 23.396 6.491 1.00 0.00 C ATOM 374 O GLY A 25 -15.501 24.027 6.790 1.00 0.00 O ATOM 0 H GLY A 25 -12.541 21.051 6.359 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -14.843 21.847 7.972 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -13.228 22.525 8.012 1.00 0.00 H new ATOM 378 N GLU A 26 -13.764 23.651 5.444 1.00 0.00 N ATOM 379 CA GLU A 26 -14.078 24.764 4.501 1.00 0.00 C ATOM 380 C GLU A 26 -15.251 24.415 3.577 1.00 0.00 C ATOM 381 O GLU A 26 -16.176 25.189 3.416 1.00 0.00 O ATOM 382 CB GLU A 26 -12.838 25.048 3.648 1.00 0.00 C ATOM 383 CG GLU A 26 -11.695 25.553 4.542 1.00 0.00 C ATOM 384 CD GLU A 26 -11.982 26.990 5.016 1.00 0.00 C ATOM 385 OE1 GLU A 26 -12.042 27.851 4.154 1.00 0.00 O ATOM 386 OE2 GLU A 26 -12.129 27.146 6.219 1.00 0.00 O ATOM 0 H GLU A 26 -12.930 23.118 5.198 1.00 0.00 H new ATOM 0 HA GLU A 26 -14.361 25.639 5.087 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -12.530 24.143 3.125 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -13.072 25.792 2.886 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -11.580 24.895 5.403 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -10.754 25.525 3.992 1.00 0.00 H new ATOM 393 N HIS A 27 -15.155 23.246 3.005 1.00 0.00 N ATOM 394 CA HIS A 27 -16.183 22.714 2.064 1.00 0.00 C ATOM 395 C HIS A 27 -16.734 21.361 2.557 1.00 0.00 C ATOM 396 O HIS A 27 -16.366 20.318 2.049 1.00 0.00 O ATOM 397 CB HIS A 27 -15.512 22.569 0.677 1.00 0.00 C ATOM 398 CG HIS A 27 -14.759 23.869 0.364 1.00 0.00 C ATOM 399 ND1 HIS A 27 -15.307 25.012 0.117 1.00 0.00 N ATOM 400 CD2 HIS A 27 -13.399 24.113 0.283 1.00 0.00 C ATOM 401 CE1 HIS A 27 -14.386 25.896 -0.099 1.00 0.00 C ATOM 402 NE2 HIS A 27 -13.183 25.382 -0.006 1.00 0.00 N ATOM 0 H HIS A 27 -14.372 22.611 3.159 1.00 0.00 H new ATOM 0 HA HIS A 27 -17.032 23.395 2.004 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -14.825 21.723 0.675 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -16.263 22.372 -0.088 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -12.627 23.373 0.434 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -14.585 26.933 -0.328 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -12.287 25.854 -0.129 1.00 0.00 H new ATOM 410 N PRO A 28 -17.606 21.417 3.539 1.00 0.00 N ATOM 411 CA PRO A 28 -18.437 20.253 3.958 1.00 0.00 C ATOM 412 C PRO A 28 -19.599 20.072 2.955 1.00 0.00 C ATOM 413 O PRO A 28 -20.753 19.966 3.322 1.00 0.00 O ATOM 414 CB PRO A 28 -18.872 20.635 5.371 1.00 0.00 C ATOM 415 CG PRO A 28 -19.098 22.165 5.218 1.00 0.00 C ATOM 416 CD PRO A 28 -17.880 22.620 4.370 1.00 0.00 C ATOM 0 HA PRO A 28 -17.931 19.288 3.963 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -19.779 20.114 5.676 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -18.107 20.405 6.113 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -20.041 22.385 4.718 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -19.125 22.667 6.185 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -18.113 23.492 3.759 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -17.027 22.886 4.994 1.00 0.00 H new ATOM 424 N GLY A 29 -19.210 20.050 1.708 1.00 0.00 N ATOM 425 CA GLY A 29 -20.128 19.887 0.553 1.00 0.00 C ATOM 426 C GLY A 29 -19.617 18.736 -0.319 1.00 0.00 C ATOM 427 O GLY A 29 -20.390 18.052 -0.960 1.00 0.00 O ATOM 0 H GLY A 29 -18.232 20.145 1.434 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -21.140 19.678 0.901 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -20.174 20.809 -0.027 1.00 0.00 H new ATOM 431 N LEU A 30 -18.315 18.561 -0.315 1.00 0.00 N ATOM 432 CA LEU A 30 -17.658 17.488 -1.111 1.00 0.00 C ATOM 433 C LEU A 30 -18.081 16.082 -0.635 1.00 0.00 C ATOM 434 O LEU A 30 -18.714 15.906 0.388 1.00 0.00 O ATOM 435 CB LEU A 30 -16.122 17.636 -0.965 1.00 0.00 C ATOM 436 CG LEU A 30 -15.607 19.057 -1.319 1.00 0.00 C ATOM 437 CD1 LEU A 30 -14.108 19.157 -0.974 1.00 0.00 C ATOM 438 CD2 LEU A 30 -15.779 19.385 -2.812 1.00 0.00 C ATOM 0 H LEU A 30 -17.668 19.137 0.224 1.00 0.00 H new ATOM 0 HA LEU A 30 -17.964 17.593 -2.152 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -15.837 17.398 0.060 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -15.631 16.908 -1.610 1.00 0.00 H new ATOM 0 HG LEU A 30 -16.197 19.768 -0.740 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -13.743 20.154 -1.222 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -13.967 18.973 0.091 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -13.552 18.415 -1.547 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -15.404 20.389 -3.009 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -15.220 18.665 -3.409 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -16.835 19.333 -3.077 1.00 0.00 H new ATOM 450 N SER A 31 -17.688 15.137 -1.442 1.00 0.00 N ATOM 451 CA SER A 31 -17.936 13.682 -1.242 1.00 0.00 C ATOM 452 C SER A 31 -16.544 13.066 -1.099 1.00 0.00 C ATOM 453 O SER A 31 -15.552 13.750 -1.238 1.00 0.00 O ATOM 454 CB SER A 31 -18.615 13.074 -2.469 1.00 0.00 C ATOM 455 OG SER A 31 -19.033 11.788 -2.040 1.00 0.00 O ATOM 0 H SER A 31 -17.166 15.334 -2.296 1.00 0.00 H new ATOM 0 HA SER A 31 -18.581 13.502 -0.382 1.00 0.00 H new ATOM 0 HB2 SER A 31 -19.461 13.679 -2.795 1.00 0.00 H new ATOM 0 HB3 SER A 31 -17.927 13.008 -3.312 1.00 0.00 H new ATOM 0 HG SER A 31 -19.485 11.328 -2.778 1.00 0.00 H new ATOM 461 N ILE A 32 -16.497 11.790 -0.842 1.00 0.00 N ATOM 462 CA ILE A 32 -15.178 11.110 -0.690 1.00 0.00 C ATOM 463 C ILE A 32 -14.514 10.906 -2.068 1.00 0.00 C ATOM 464 O ILE A 32 -13.428 10.371 -2.185 1.00 0.00 O ATOM 465 CB ILE A 32 -15.462 9.787 0.023 1.00 0.00 C ATOM 466 CG1 ILE A 32 -14.163 9.173 0.577 1.00 0.00 C ATOM 467 CG2 ILE A 32 -16.153 8.768 -0.929 1.00 0.00 C ATOM 468 CD1 ILE A 32 -13.547 10.095 1.659 1.00 0.00 C ATOM 0 H ILE A 32 -17.312 11.187 -0.730 1.00 0.00 H new ATOM 0 HA ILE A 32 -14.474 11.706 -0.108 1.00 0.00 H new ATOM 0 HB ILE A 32 -16.137 10.004 0.851 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -14.370 8.191 1.002 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -13.449 9.025 -0.233 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -16.341 7.838 -0.392 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -17.098 9.182 -1.281 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -15.504 8.569 -1.782 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -12.630 9.646 2.040 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -13.321 11.068 1.222 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -14.256 10.221 2.477 1.00 0.00 H new ATOM 480 N GLY A 33 -15.230 11.362 -3.056 1.00 0.00 N ATOM 481 CA GLY A 33 -14.783 11.277 -4.477 1.00 0.00 C ATOM 482 C GLY A 33 -14.467 12.681 -4.996 1.00 0.00 C ATOM 483 O GLY A 33 -13.938 12.833 -6.079 1.00 0.00 O ATOM 0 H GLY A 33 -16.140 11.806 -2.933 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -13.901 10.642 -4.555 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -15.561 10.818 -5.087 1.00 0.00 H new ATOM 487 N ASP A 34 -14.791 13.665 -4.194 1.00 0.00 N ATOM 488 CA ASP A 34 -14.546 15.085 -4.565 1.00 0.00 C ATOM 489 C ASP A 34 -13.369 15.531 -3.738 1.00 0.00 C ATOM 490 O ASP A 34 -12.449 16.113 -4.259 1.00 0.00 O ATOM 491 CB ASP A 34 -15.777 15.921 -4.241 1.00 0.00 C ATOM 492 CG ASP A 34 -16.961 15.548 -5.154 1.00 0.00 C ATOM 493 OD1 ASP A 34 -17.367 14.398 -5.106 1.00 0.00 O ATOM 494 OD2 ASP A 34 -17.400 16.441 -5.859 1.00 0.00 O ATOM 0 H ASP A 34 -15.224 13.536 -3.279 1.00 0.00 H new ATOM 0 HA ASP A 34 -14.344 15.200 -5.630 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -16.057 15.771 -3.198 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -15.543 16.979 -4.359 1.00 0.00 H new ATOM 499 N VAL A 35 -13.414 15.257 -2.466 1.00 0.00 N ATOM 500 CA VAL A 35 -12.301 15.633 -1.549 1.00 0.00 C ATOM 501 C VAL A 35 -11.025 15.019 -2.150 1.00 0.00 C ATOM 502 O VAL A 35 -9.957 15.599 -2.159 1.00 0.00 O ATOM 503 CB VAL A 35 -12.624 15.038 -0.149 1.00 0.00 C ATOM 504 CG1 VAL A 35 -11.415 15.108 0.784 1.00 0.00 C ATOM 505 CG2 VAL A 35 -13.774 15.819 0.514 1.00 0.00 C ATOM 0 H VAL A 35 -14.192 14.778 -2.012 1.00 0.00 H new ATOM 0 HA VAL A 35 -12.171 16.710 -1.439 1.00 0.00 H new ATOM 0 HB VAL A 35 -12.904 13.996 -0.305 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -11.678 14.683 1.753 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -10.589 14.543 0.352 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -11.115 16.148 0.913 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -13.988 15.390 1.493 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -13.485 16.863 0.631 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -14.664 15.757 -0.112 1.00 0.00 H new ATOM 515 N ALA A 36 -11.250 13.840 -2.659 1.00 0.00 N ATOM 516 CA ALA A 36 -10.206 13.009 -3.291 1.00 0.00 C ATOM 517 C ALA A 36 -9.778 13.474 -4.674 1.00 0.00 C ATOM 518 O ALA A 36 -8.591 13.578 -4.914 1.00 0.00 O ATOM 519 CB ALA A 36 -10.761 11.594 -3.336 1.00 0.00 C ATOM 0 H ALA A 36 -12.171 13.402 -2.658 1.00 0.00 H new ATOM 0 HA ALA A 36 -9.293 13.081 -2.701 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -10.029 10.930 -3.796 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -10.973 11.254 -2.322 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -11.680 11.582 -3.922 1.00 0.00 H new ATOM 525 N LYS A 37 -10.705 13.744 -5.555 1.00 0.00 N ATOM 526 CA LYS A 37 -10.264 14.197 -6.904 1.00 0.00 C ATOM 527 C LYS A 37 -9.920 15.692 -6.883 1.00 0.00 C ATOM 528 O LYS A 37 -9.281 16.188 -7.785 1.00 0.00 O ATOM 529 CB LYS A 37 -11.399 13.894 -7.925 1.00 0.00 C ATOM 530 CG LYS A 37 -12.552 14.927 -7.927 1.00 0.00 C ATOM 531 CD LYS A 37 -12.254 16.072 -8.936 1.00 0.00 C ATOM 532 CE LYS A 37 -13.542 16.866 -9.210 1.00 0.00 C ATOM 533 NZ LYS A 37 -14.554 15.984 -9.862 1.00 0.00 N ATOM 0 H LYS A 37 -11.712 13.674 -5.408 1.00 0.00 H new ATOM 0 HA LYS A 37 -9.362 13.661 -7.200 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -10.968 13.847 -8.925 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -11.811 12.908 -7.709 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -13.488 14.436 -8.191 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -12.680 15.340 -6.926 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -11.486 16.733 -8.535 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -11.865 15.658 -9.866 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -13.940 17.263 -8.276 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -13.324 17.720 -9.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -15.196 16.562 -10.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -14.071 15.290 -10.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -15.101 15.485 -9.132 1.00 0.00 H new ATOM 547 N LYS A 38 -10.330 16.386 -5.853 1.00 0.00 N ATOM 548 CA LYS A 38 -10.035 17.834 -5.770 1.00 0.00 C ATOM 549 C LYS A 38 -8.620 17.947 -5.243 1.00 0.00 C ATOM 550 O LYS A 38 -7.783 18.542 -5.888 1.00 0.00 O ATOM 551 CB LYS A 38 -11.024 18.526 -4.803 1.00 0.00 C ATOM 552 CG LYS A 38 -10.749 20.046 -4.794 1.00 0.00 C ATOM 553 CD LYS A 38 -11.751 20.755 -3.856 1.00 0.00 C ATOM 554 CE LYS A 38 -11.476 22.272 -3.875 1.00 0.00 C ATOM 555 NZ LYS A 38 -10.099 22.554 -3.376 1.00 0.00 N ATOM 0 H LYS A 38 -10.857 16.005 -5.067 1.00 0.00 H new ATOM 0 HA LYS A 38 -10.136 18.317 -6.742 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -12.051 18.332 -5.114 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -10.913 18.119 -3.798 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -9.729 20.238 -4.463 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -10.837 20.446 -5.804 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -12.773 20.554 -4.177 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -11.654 20.368 -2.842 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -11.589 22.656 -4.889 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -12.208 22.789 -3.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -10.021 23.559 -3.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -9.906 21.968 -2.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -9.408 22.332 -4.120 1.00 0.00 H new ATOM 569 N LEU A 39 -8.356 17.360 -4.102 1.00 0.00 N ATOM 570 CA LEU A 39 -6.974 17.473 -3.577 1.00 0.00 C ATOM 571 C LEU A 39 -6.061 16.552 -4.378 1.00 0.00 C ATOM 572 O LEU A 39 -4.872 16.780 -4.402 1.00 0.00 O ATOM 573 CB LEU A 39 -7.085 17.184 -2.051 1.00 0.00 C ATOM 574 CG LEU A 39 -6.760 15.801 -1.564 1.00 0.00 C ATOM 575 CD1 LEU A 39 -5.242 15.755 -1.288 1.00 0.00 C ATOM 576 CD2 LEU A 39 -7.490 15.553 -0.223 1.00 0.00 C ATOM 0 H LEU A 39 -9.015 16.827 -3.534 1.00 0.00 H new ATOM 0 HA LEU A 39 -6.515 18.455 -3.691 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -6.429 17.882 -1.532 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.105 17.415 -1.742 1.00 0.00 H new ATOM 0 HG LEU A 39 -7.061 15.056 -2.300 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.967 14.762 -0.931 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -4.698 15.974 -2.207 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -4.987 16.496 -0.531 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -7.259 14.550 0.137 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -7.160 16.287 0.512 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -8.566 15.646 -0.372 1.00 0.00 H new ATOM 588 N GLY A 40 -6.596 15.546 -5.031 1.00 0.00 N ATOM 589 CA GLY A 40 -5.686 14.657 -5.829 1.00 0.00 C ATOM 590 C GLY A 40 -5.122 15.525 -6.957 1.00 0.00 C ATOM 591 O GLY A 40 -3.973 15.401 -7.328 1.00 0.00 O ATOM 0 H GLY A 40 -7.587 15.306 -5.049 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -4.885 14.260 -5.206 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.231 13.802 -6.231 1.00 0.00 H new ATOM 595 N GLU A 41 -5.960 16.391 -7.474 1.00 0.00 N ATOM 596 CA GLU A 41 -5.501 17.283 -8.567 1.00 0.00 C ATOM 597 C GLU A 41 -4.558 18.307 -7.950 1.00 0.00 C ATOM 598 O GLU A 41 -3.505 18.547 -8.508 1.00 0.00 O ATOM 599 CB GLU A 41 -6.706 17.984 -9.203 1.00 0.00 C ATOM 600 CG GLU A 41 -7.266 17.191 -10.421 1.00 0.00 C ATOM 601 CD GLU A 41 -7.843 15.799 -10.083 1.00 0.00 C ATOM 602 OE1 GLU A 41 -7.109 14.990 -9.538 1.00 0.00 O ATOM 603 OE2 GLU A 41 -9.009 15.614 -10.394 1.00 0.00 O ATOM 0 H GLU A 41 -6.931 16.513 -7.186 1.00 0.00 H new ATOM 0 HA GLU A 41 -4.990 16.716 -9.346 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -7.491 18.104 -8.457 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -6.416 18.984 -9.524 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -8.047 17.786 -10.895 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -6.469 17.069 -11.154 1.00 0.00 H new ATOM 610 N MET A 42 -4.950 18.875 -6.828 1.00 0.00 N ATOM 611 CA MET A 42 -4.093 19.895 -6.142 1.00 0.00 C ATOM 612 C MET A 42 -2.687 19.342 -6.027 1.00 0.00 C ATOM 613 O MET A 42 -1.738 20.010 -6.362 1.00 0.00 O ATOM 614 CB MET A 42 -4.637 20.172 -4.768 1.00 0.00 C ATOM 615 CG MET A 42 -5.987 20.906 -4.901 1.00 0.00 C ATOM 616 SD MET A 42 -5.964 22.630 -5.457 1.00 0.00 S ATOM 617 CE MET A 42 -6.799 22.423 -7.051 1.00 0.00 C ATOM 0 H MET A 42 -5.832 18.672 -6.358 1.00 0.00 H new ATOM 0 HA MET A 42 -4.087 20.822 -6.715 1.00 0.00 H new ATOM 0 HB2 MET A 42 -4.768 19.239 -4.220 1.00 0.00 H new ATOM 0 HB3 MET A 42 -3.933 20.779 -4.200 1.00 0.00 H new ATOM 0 HG2 MET A 42 -6.609 20.339 -5.594 1.00 0.00 H new ATOM 0 HG3 MET A 42 -6.482 20.874 -3.930 1.00 0.00 H new ATOM 0 HE1 MET A 42 -6.879 23.390 -7.548 1.00 0.00 H new ATOM 0 HE2 MET A 42 -6.225 21.740 -7.677 1.00 0.00 H new ATOM 0 HE3 MET A 42 -7.797 22.015 -6.889 1.00 0.00 H new ATOM 627 N TRP A 43 -2.617 18.135 -5.535 1.00 0.00 N ATOM 628 CA TRP A 43 -1.341 17.400 -5.356 1.00 0.00 C ATOM 629 C TRP A 43 -0.506 17.475 -6.636 1.00 0.00 C ATOM 630 O TRP A 43 0.669 17.790 -6.593 1.00 0.00 O ATOM 631 CB TRP A 43 -1.684 15.954 -5.024 1.00 0.00 C ATOM 632 CG TRP A 43 -0.423 15.120 -5.149 1.00 0.00 C ATOM 633 CD1 TRP A 43 -0.176 14.272 -6.163 1.00 0.00 C ATOM 634 CD2 TRP A 43 0.595 15.103 -4.277 1.00 0.00 C ATOM 635 NE1 TRP A 43 1.005 13.787 -5.835 1.00 0.00 N ATOM 636 CE2 TRP A 43 1.564 14.220 -4.711 1.00 0.00 C ATOM 637 CE3 TRP A 43 0.744 15.807 -3.092 1.00 0.00 C ATOM 638 CZ2 TRP A 43 2.710 14.039 -3.932 1.00 0.00 C ATOM 639 CZ3 TRP A 43 1.876 15.628 -2.317 1.00 0.00 C ATOM 640 CH2 TRP A 43 2.865 14.741 -2.736 1.00 0.00 C ATOM 0 H TRP A 43 -3.437 17.607 -5.237 1.00 0.00 H new ATOM 0 HA TRP A 43 -0.753 17.841 -4.551 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -2.087 15.883 -4.014 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -2.453 15.582 -5.701 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -0.788 14.046 -7.024 1.00 0.00 H new ATOM 0 HE1 TRP A 43 1.475 13.101 -6.426 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -0.024 16.496 -2.774 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 3.479 13.353 -4.257 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 1.992 16.173 -1.392 1.00 0.00 H new ATOM 0 HH2 TRP A 43 3.751 14.597 -2.136 1.00 0.00 H new ATOM 651 N ASN A 44 -1.168 17.186 -7.731 1.00 0.00 N ATOM 652 CA ASN A 44 -0.454 17.214 -9.048 1.00 0.00 C ATOM 653 C ASN A 44 0.123 18.599 -9.402 1.00 0.00 C ATOM 654 O ASN A 44 0.885 18.737 -10.341 1.00 0.00 O ATOM 655 CB ASN A 44 -1.423 16.736 -10.171 1.00 0.00 C ATOM 656 CG ASN A 44 -1.877 15.301 -9.850 1.00 0.00 C ATOM 657 OD1 ASN A 44 -3.145 14.996 -9.910 1.00 0.00 O flip ATOM 658 ND2 ASN A 44 -1.076 14.441 -9.541 1.00 0.00 N flip ATOM 0 H ASN A 44 -2.156 16.936 -7.772 1.00 0.00 H new ATOM 0 HA ASN A 44 0.398 16.540 -8.964 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -2.285 17.400 -10.235 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -0.924 16.767 -11.140 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -0.082 14.664 -9.490 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -1.398 13.496 -9.333 1.00 0.00 H new ATOM 665 N ASN A 45 -0.281 19.574 -8.624 1.00 0.00 N ATOM 666 CA ASN A 45 0.159 20.998 -8.777 1.00 0.00 C ATOM 667 C ASN A 45 0.285 21.676 -7.380 1.00 0.00 C ATOM 668 O ASN A 45 -0.053 22.837 -7.237 1.00 0.00 O ATOM 669 CB ASN A 45 -0.886 21.735 -9.662 1.00 0.00 C ATOM 670 CG ASN A 45 -2.284 21.694 -9.002 1.00 0.00 C ATOM 671 OD1 ASN A 45 -2.521 22.295 -7.974 1.00 0.00 O ATOM 672 ND2 ASN A 45 -3.242 21.002 -9.553 1.00 0.00 N ATOM 0 H ASN A 45 -0.931 19.432 -7.851 1.00 0.00 H new ATOM 0 HA ASN A 45 1.139 21.044 -9.253 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -0.579 22.770 -9.811 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -0.929 21.270 -10.647 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -4.165 20.974 -9.120 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -3.068 20.488 -10.417 1.00 0.00 H new ATOM 679 N THR A 46 0.776 20.966 -6.385 1.00 0.00 N ATOM 680 CA THR A 46 0.892 21.598 -5.024 1.00 0.00 C ATOM 681 C THR A 46 2.076 22.564 -5.017 1.00 0.00 C ATOM 682 O THR A 46 1.924 23.710 -4.641 1.00 0.00 O ATOM 683 CB THR A 46 1.059 20.460 -3.920 1.00 0.00 C ATOM 684 OG1 THR A 46 1.230 21.179 -2.704 1.00 0.00 O ATOM 685 CG2 THR A 46 2.336 19.601 -4.008 1.00 0.00 C ATOM 0 H THR A 46 1.095 19.999 -6.452 1.00 0.00 H new ATOM 0 HA THR A 46 -0.011 22.162 -4.791 1.00 0.00 H new ATOM 0 HB THR A 46 0.205 19.790 -4.026 1.00 0.00 H new ATOM 0 HG1 THR A 46 1.773 20.649 -2.084 1.00 0.00 H new ATOM 0 HG21 THR A 46 2.335 18.864 -3.205 1.00 0.00 H new ATOM 0 HG22 THR A 46 2.365 19.090 -4.970 1.00 0.00 H new ATOM 0 HG23 THR A 46 3.213 20.241 -3.911 1.00 0.00 H new ATOM 693 N ALA A 47 3.211 22.070 -5.430 1.00 0.00 N ATOM 694 CA ALA A 47 4.439 22.907 -5.477 1.00 0.00 C ATOM 695 C ALA A 47 5.534 22.183 -6.252 1.00 0.00 C ATOM 696 O ALA A 47 6.181 22.780 -7.087 1.00 0.00 O ATOM 697 CB ALA A 47 4.957 23.204 -4.046 1.00 0.00 C ATOM 0 H ALA A 47 3.339 21.107 -5.741 1.00 0.00 H new ATOM 0 HA ALA A 47 4.188 23.845 -5.972 1.00 0.00 H new ATOM 0 HB1 ALA A 47 5.856 23.818 -4.105 1.00 0.00 H new ATOM 0 HB2 ALA A 47 4.190 23.737 -3.485 1.00 0.00 H new ATOM 0 HB3 ALA A 47 5.190 22.266 -3.541 1.00 0.00 H new ATOM 703 N ALA A 48 5.677 20.922 -5.909 1.00 0.00 N ATOM 704 CA ALA A 48 6.687 19.962 -6.488 1.00 0.00 C ATOM 705 C ALA A 48 7.923 20.070 -5.571 1.00 0.00 C ATOM 706 O ALA A 48 8.883 19.331 -5.671 1.00 0.00 O ATOM 707 CB ALA A 48 7.097 20.328 -7.941 1.00 0.00 C ATOM 0 H ALA A 48 5.090 20.488 -5.197 1.00 0.00 H new ATOM 0 HA ALA A 48 6.265 18.958 -6.534 1.00 0.00 H new ATOM 0 HB1 ALA A 48 7.825 19.604 -8.307 1.00 0.00 H new ATOM 0 HB2 ALA A 48 6.216 20.312 -8.583 1.00 0.00 H new ATOM 0 HB3 ALA A 48 7.538 21.325 -7.954 1.00 0.00 H new ATOM 713 N ASP A 49 7.806 21.036 -4.691 1.00 0.00 N ATOM 714 CA ASP A 49 8.792 21.419 -3.659 1.00 0.00 C ATOM 715 C ASP A 49 8.126 21.134 -2.288 1.00 0.00 C ATOM 716 O ASP A 49 8.741 21.275 -1.249 1.00 0.00 O ATOM 717 CB ASP A 49 9.084 22.912 -3.871 1.00 0.00 C ATOM 718 CG ASP A 49 9.993 23.465 -2.764 1.00 0.00 C ATOM 719 OD1 ASP A 49 11.122 23.008 -2.703 1.00 0.00 O ATOM 720 OD2 ASP A 49 9.500 24.316 -2.039 1.00 0.00 O ATOM 0 H ASP A 49 6.973 21.624 -4.659 1.00 0.00 H new ATOM 0 HA ASP A 49 9.732 20.870 -3.709 1.00 0.00 H new ATOM 0 HB2 ASP A 49 9.559 23.058 -4.841 1.00 0.00 H new ATOM 0 HB3 ASP A 49 8.147 23.469 -3.888 1.00 0.00 H new ATOM 725 N ASP A 50 6.875 20.733 -2.354 1.00 0.00 N ATOM 726 CA ASP A 50 6.049 20.400 -1.149 1.00 0.00 C ATOM 727 C ASP A 50 5.683 18.917 -1.242 1.00 0.00 C ATOM 728 O ASP A 50 5.174 18.335 -0.307 1.00 0.00 O ATOM 729 CB ASP A 50 4.764 21.250 -1.150 1.00 0.00 C ATOM 730 CG ASP A 50 3.853 20.859 0.029 1.00 0.00 C ATOM 731 OD1 ASP A 50 4.279 21.061 1.154 1.00 0.00 O ATOM 732 OD2 ASP A 50 2.773 20.372 -0.261 1.00 0.00 O ATOM 0 H ASP A 50 6.374 20.619 -3.235 1.00 0.00 H new ATOM 0 HA ASP A 50 6.602 20.607 -0.232 1.00 0.00 H new ATOM 0 HB2 ASP A 50 5.021 22.307 -1.083 1.00 0.00 H new ATOM 0 HB3 ASP A 50 4.230 21.111 -2.090 1.00 0.00 H new ATOM 737 N LYS A 51 5.971 18.355 -2.389 1.00 0.00 N ATOM 738 CA LYS A 51 5.678 16.924 -2.633 1.00 0.00 C ATOM 739 C LYS A 51 6.876 16.187 -2.082 1.00 0.00 C ATOM 740 O LYS A 51 6.693 15.309 -1.275 1.00 0.00 O ATOM 741 CB LYS A 51 5.557 16.641 -4.127 1.00 0.00 C ATOM 742 CG LYS A 51 4.484 17.540 -4.744 1.00 0.00 C ATOM 743 CD LYS A 51 4.344 17.252 -6.247 1.00 0.00 C ATOM 744 CE LYS A 51 3.683 15.903 -6.449 1.00 0.00 C ATOM 745 NZ LYS A 51 3.571 15.595 -7.903 1.00 0.00 N ATOM 0 H LYS A 51 6.404 18.841 -3.174 1.00 0.00 H new ATOM 0 HA LYS A 51 4.739 16.622 -2.169 1.00 0.00 H new ATOM 0 HB2 LYS A 51 6.515 16.815 -4.617 1.00 0.00 H new ATOM 0 HB3 LYS A 51 5.302 15.593 -4.288 1.00 0.00 H new ATOM 0 HG2 LYS A 51 3.530 17.373 -4.245 1.00 0.00 H new ATOM 0 HG3 LYS A 51 4.745 18.587 -4.591 1.00 0.00 H new ATOM 0 HD2 LYS A 51 3.751 18.033 -6.723 1.00 0.00 H new ATOM 0 HD3 LYS A 51 5.325 17.262 -6.722 1.00 0.00 H new ATOM 0 HE2 LYS A 51 4.264 15.127 -5.950 1.00 0.00 H new ATOM 0 HE3 LYS A 51 2.693 15.903 -5.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 3.116 14.668 -8.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 2.998 16.327 -8.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 4.520 15.575 -8.328 1.00 0.00 H new ATOM 759 N GLN A 52 8.047 16.564 -2.541 1.00 0.00 N ATOM 760 CA GLN A 52 9.339 15.944 -2.101 1.00 0.00 C ATOM 761 C GLN A 52 9.277 15.285 -0.698 1.00 0.00 C ATOM 762 O GLN A 52 9.519 14.104 -0.618 1.00 0.00 O ATOM 763 CB GLN A 52 10.438 17.061 -2.150 1.00 0.00 C ATOM 764 CG GLN A 52 11.747 16.521 -2.775 1.00 0.00 C ATOM 765 CD GLN A 52 11.571 16.152 -4.268 1.00 0.00 C ATOM 766 OE1 GLN A 52 10.411 16.289 -4.856 1.00 0.00 O flip ATOM 767 NE2 GLN A 52 12.508 15.731 -4.920 1.00 0.00 N flip ATOM 0 H GLN A 52 8.163 17.306 -3.231 1.00 0.00 H new ATOM 0 HA GLN A 52 9.574 15.124 -2.779 1.00 0.00 H new ATOM 0 HB2 GLN A 52 10.075 17.908 -2.732 1.00 0.00 H new ATOM 0 HB3 GLN A 52 10.635 17.427 -1.142 1.00 0.00 H new ATOM 0 HG2 GLN A 52 12.531 17.272 -2.678 1.00 0.00 H new ATOM 0 HG3 GLN A 52 12.077 15.642 -2.221 1.00 0.00 H new ATOM 0 HE21 GLN A 52 13.422 15.616 -4.483 1.00 0.00 H new ATOM 0 HE22 GLN A 52 12.379 15.493 -5.904 1.00 0.00 H new ATOM 776 N PRO A 53 8.956 16.009 0.356 1.00 0.00 N ATOM 777 CA PRO A 53 8.804 15.440 1.735 1.00 0.00 C ATOM 778 C PRO A 53 7.910 14.191 1.824 1.00 0.00 C ATOM 779 O PRO A 53 8.265 13.193 2.423 1.00 0.00 O ATOM 780 CB PRO A 53 8.262 16.611 2.566 1.00 0.00 C ATOM 781 CG PRO A 53 7.628 17.537 1.501 1.00 0.00 C ATOM 782 CD PRO A 53 8.662 17.473 0.374 1.00 0.00 C ATOM 0 HA PRO A 53 9.758 15.061 2.102 1.00 0.00 H new ATOM 0 HB2 PRO A 53 7.527 16.278 3.299 1.00 0.00 H new ATOM 0 HB3 PRO A 53 9.056 17.115 3.117 1.00 0.00 H new ATOM 0 HG2 PRO A 53 6.650 17.180 1.179 1.00 0.00 H new ATOM 0 HG3 PRO A 53 7.490 18.553 1.872 1.00 0.00 H new ATOM 0 HD2 PRO A 53 8.262 17.827 -0.576 1.00 0.00 H new ATOM 0 HD3 PRO A 53 9.548 18.071 0.590 1.00 0.00 H new ATOM 790 N TYR A 54 6.769 14.310 1.204 1.00 0.00 N ATOM 791 CA TYR A 54 5.762 13.201 1.186 1.00 0.00 C ATOM 792 C TYR A 54 6.215 12.112 0.221 1.00 0.00 C ATOM 793 O TYR A 54 6.248 10.943 0.552 1.00 0.00 O ATOM 794 CB TYR A 54 4.403 13.764 0.739 1.00 0.00 C ATOM 795 CG TYR A 54 3.929 14.875 1.690 1.00 0.00 C ATOM 796 CD1 TYR A 54 3.810 14.650 3.049 1.00 0.00 C ATOM 797 CD2 TYR A 54 3.608 16.122 1.193 1.00 0.00 C ATOM 798 CE1 TYR A 54 3.380 15.650 3.893 1.00 0.00 C ATOM 799 CE2 TYR A 54 3.178 17.124 2.036 1.00 0.00 C ATOM 800 CZ TYR A 54 3.060 16.896 3.393 1.00 0.00 C ATOM 801 OH TYR A 54 2.630 17.901 4.235 1.00 0.00 O ATOM 0 H TYR A 54 6.482 15.147 0.696 1.00 0.00 H new ATOM 0 HA TYR A 54 5.668 12.772 2.184 1.00 0.00 H new ATOM 0 HB2 TYR A 54 4.483 14.157 -0.274 1.00 0.00 H new ATOM 0 HB3 TYR A 54 3.664 12.963 0.712 1.00 0.00 H new ATOM 0 HD1 TYR A 54 4.057 13.679 3.453 1.00 0.00 H new ATOM 0 HD2 TYR A 54 3.695 16.314 0.134 1.00 0.00 H new ATOM 0 HE1 TYR A 54 3.293 15.458 4.952 1.00 0.00 H new ATOM 0 HE2 TYR A 54 2.931 18.095 1.632 1.00 0.00 H new ATOM 0 HH TYR A 54 1.725 17.698 4.551 1.00 0.00 H new ATOM 811 N GLU A 55 6.545 12.534 -0.967 1.00 0.00 N ATOM 812 CA GLU A 55 7.015 11.588 -2.020 1.00 0.00 C ATOM 813 C GLU A 55 8.145 10.695 -1.480 1.00 0.00 C ATOM 814 O GLU A 55 8.100 9.491 -1.615 1.00 0.00 O ATOM 815 CB GLU A 55 7.471 12.438 -3.223 1.00 0.00 C ATOM 816 CG GLU A 55 6.602 12.076 -4.445 1.00 0.00 C ATOM 817 CD GLU A 55 7.044 12.893 -5.674 1.00 0.00 C ATOM 818 OE1 GLU A 55 6.897 14.104 -5.615 1.00 0.00 O ATOM 819 OE2 GLU A 55 7.508 12.258 -6.608 1.00 0.00 O ATOM 0 H GLU A 55 6.509 13.511 -1.259 1.00 0.00 H new ATOM 0 HA GLU A 55 6.217 10.913 -2.329 1.00 0.00 H new ATOM 0 HB2 GLU A 55 7.376 13.499 -2.993 1.00 0.00 H new ATOM 0 HB3 GLU A 55 8.523 12.252 -3.439 1.00 0.00 H new ATOM 0 HG2 GLU A 55 6.687 11.010 -4.658 1.00 0.00 H new ATOM 0 HG3 GLU A 55 5.553 12.274 -4.226 1.00 0.00 H new ATOM 826 N LYS A 56 9.131 11.318 -0.892 1.00 0.00 N ATOM 827 CA LYS A 56 10.307 10.610 -0.302 1.00 0.00 C ATOM 828 C LYS A 56 9.843 9.397 0.526 1.00 0.00 C ATOM 829 O LYS A 56 10.476 8.358 0.531 1.00 0.00 O ATOM 830 CB LYS A 56 11.071 11.658 0.552 1.00 0.00 C ATOM 831 CG LYS A 56 12.328 11.074 1.249 1.00 0.00 C ATOM 832 CD LYS A 56 11.986 10.521 2.659 1.00 0.00 C ATOM 833 CE LYS A 56 13.267 9.963 3.311 1.00 0.00 C ATOM 834 NZ LYS A 56 14.298 11.034 3.445 1.00 0.00 N ATOM 0 H LYS A 56 9.171 12.332 -0.793 1.00 0.00 H new ATOM 0 HA LYS A 56 10.968 10.209 -1.070 1.00 0.00 H new ATOM 0 HB2 LYS A 56 11.370 12.490 -0.086 1.00 0.00 H new ATOM 0 HB3 LYS A 56 10.398 12.062 1.308 1.00 0.00 H new ATOM 0 HG2 LYS A 56 12.749 10.277 0.636 1.00 0.00 H new ATOM 0 HG3 LYS A 56 13.091 11.847 1.335 1.00 0.00 H new ATOM 0 HD2 LYS A 56 11.563 11.311 3.279 1.00 0.00 H new ATOM 0 HD3 LYS A 56 11.232 9.738 2.582 1.00 0.00 H new ATOM 0 HE2 LYS A 56 13.032 9.552 4.293 1.00 0.00 H new ATOM 0 HE3 LYS A 56 13.661 9.145 2.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 15.014 10.741 4.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 14.754 11.194 2.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 13.845 11.914 3.765 1.00 0.00 H new ATOM 848 N LYS A 57 8.728 9.569 1.193 1.00 0.00 N ATOM 849 CA LYS A 57 8.182 8.459 2.032 1.00 0.00 C ATOM 850 C LYS A 57 7.562 7.444 1.082 1.00 0.00 C ATOM 851 O LYS A 57 7.896 6.280 1.145 1.00 0.00 O ATOM 852 CB LYS A 57 7.100 8.986 3.003 1.00 0.00 C ATOM 853 CG LYS A 57 7.764 9.762 4.154 1.00 0.00 C ATOM 854 CD LYS A 57 6.669 10.231 5.143 1.00 0.00 C ATOM 855 CE LYS A 57 7.327 10.712 6.451 1.00 0.00 C ATOM 856 NZ LYS A 57 8.004 9.567 7.129 1.00 0.00 N ATOM 0 H LYS A 57 8.175 10.426 1.193 1.00 0.00 H new ATOM 0 HA LYS A 57 8.977 8.013 2.629 1.00 0.00 H new ATOM 0 HB2 LYS A 57 6.404 9.634 2.470 1.00 0.00 H new ATOM 0 HB3 LYS A 57 6.519 8.154 3.401 1.00 0.00 H new ATOM 0 HG2 LYS A 57 8.488 9.129 4.667 1.00 0.00 H new ATOM 0 HG3 LYS A 57 8.311 10.620 3.763 1.00 0.00 H new ATOM 0 HD2 LYS A 57 6.085 11.038 4.699 1.00 0.00 H new ATOM 0 HD3 LYS A 57 5.978 9.414 5.351 1.00 0.00 H new ATOM 0 HE2 LYS A 57 8.050 11.499 6.237 1.00 0.00 H new ATOM 0 HE3 LYS A 57 6.574 11.143 7.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 7.673 9.501 8.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 7.778 8.684 6.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 9.033 9.717 7.120 1.00 0.00 H new ATOM 870 N ALA A 58 6.672 7.915 0.238 1.00 0.00 N ATOM 871 CA ALA A 58 5.991 7.018 -0.760 1.00 0.00 C ATOM 872 C ALA A 58 7.016 6.029 -1.339 1.00 0.00 C ATOM 873 O ALA A 58 6.790 4.836 -1.374 1.00 0.00 O ATOM 874 CB ALA A 58 5.395 7.864 -1.894 1.00 0.00 C ATOM 0 H ALA A 58 6.384 8.893 0.196 1.00 0.00 H new ATOM 0 HA ALA A 58 5.191 6.467 -0.265 1.00 0.00 H new ATOM 0 HB1 ALA A 58 4.903 7.211 -2.615 1.00 0.00 H new ATOM 0 HB2 ALA A 58 4.668 8.564 -1.482 1.00 0.00 H new ATOM 0 HB3 ALA A 58 6.191 8.419 -2.391 1.00 0.00 H new ATOM 880 N ALA A 59 8.121 6.586 -1.775 1.00 0.00 N ATOM 881 CA ALA A 59 9.234 5.781 -2.363 1.00 0.00 C ATOM 882 C ALA A 59 9.605 4.638 -1.406 1.00 0.00 C ATOM 883 O ALA A 59 9.509 3.481 -1.760 1.00 0.00 O ATOM 884 CB ALA A 59 10.449 6.700 -2.590 1.00 0.00 C ATOM 0 H ALA A 59 8.300 7.590 -1.746 1.00 0.00 H new ATOM 0 HA ALA A 59 8.921 5.352 -3.315 1.00 0.00 H new ATOM 0 HB1 ALA A 59 11.267 6.122 -3.019 1.00 0.00 H new ATOM 0 HB2 ALA A 59 10.175 7.503 -3.274 1.00 0.00 H new ATOM 0 HB3 ALA A 59 10.766 7.126 -1.638 1.00 0.00 H new ATOM 890 N LYS A 60 10.016 4.996 -0.213 1.00 0.00 N ATOM 891 CA LYS A 60 10.407 3.982 0.813 1.00 0.00 C ATOM 892 C LYS A 60 9.315 2.917 0.943 1.00 0.00 C ATOM 893 O LYS A 60 9.619 1.748 0.943 1.00 0.00 O ATOM 894 CB LYS A 60 10.653 4.724 2.156 1.00 0.00 C ATOM 895 CG LYS A 60 11.492 3.830 3.112 1.00 0.00 C ATOM 896 CD LYS A 60 10.618 2.806 3.888 1.00 0.00 C ATOM 897 CE LYS A 60 11.499 1.648 4.415 1.00 0.00 C ATOM 898 NZ LYS A 60 12.625 2.161 5.252 1.00 0.00 N ATOM 0 H LYS A 60 10.098 5.965 0.096 1.00 0.00 H new ATOM 0 HA LYS A 60 11.321 3.467 0.519 1.00 0.00 H new ATOM 0 HB2 LYS A 60 11.175 5.663 1.972 1.00 0.00 H new ATOM 0 HB3 LYS A 60 9.700 4.975 2.622 1.00 0.00 H new ATOM 0 HG2 LYS A 60 12.247 3.295 2.535 1.00 0.00 H new ATOM 0 HG3 LYS A 60 12.023 4.463 3.823 1.00 0.00 H new ATOM 0 HD2 LYS A 60 10.117 3.300 4.720 1.00 0.00 H new ATOM 0 HD3 LYS A 60 9.839 2.413 3.235 1.00 0.00 H new ATOM 0 HE2 LYS A 60 10.889 0.962 5.003 1.00 0.00 H new ATOM 0 HE3 LYS A 60 11.897 1.080 3.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 13.063 1.371 5.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 13.335 2.611 4.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 12.262 2.859 5.933 1.00 0.00 H new ATOM 912 N LEU A 61 8.076 3.323 1.052 1.00 0.00 N ATOM 913 CA LEU A 61 6.960 2.323 1.179 1.00 0.00 C ATOM 914 C LEU A 61 6.987 1.387 -0.037 1.00 0.00 C ATOM 915 O LEU A 61 7.085 0.191 0.141 1.00 0.00 O ATOM 916 CB LEU A 61 5.634 3.100 1.279 1.00 0.00 C ATOM 917 CG LEU A 61 5.746 4.083 2.478 1.00 0.00 C ATOM 918 CD1 LEU A 61 4.442 4.864 2.609 1.00 0.00 C ATOM 919 CD2 LEU A 61 6.078 3.338 3.803 1.00 0.00 C ATOM 0 H LEU A 61 7.784 4.300 1.059 1.00 0.00 H new ATOM 0 HA LEU A 61 7.071 1.708 2.072 1.00 0.00 H new ATOM 0 HB2 LEU A 61 5.441 3.645 0.355 1.00 0.00 H new ATOM 0 HB3 LEU A 61 4.800 2.414 1.425 1.00 0.00 H new ATOM 0 HG LEU A 61 6.568 4.773 2.287 1.00 0.00 H new ATOM 0 HD11 LEU A 61 4.515 5.555 3.449 1.00 0.00 H new ATOM 0 HD12 LEU A 61 4.260 5.425 1.692 1.00 0.00 H new ATOM 0 HD13 LEU A 61 3.618 4.171 2.780 1.00 0.00 H new ATOM 0 HD21 LEU A 61 6.148 4.059 4.618 1.00 0.00 H new ATOM 0 HD22 LEU A 61 5.290 2.618 4.023 1.00 0.00 H new ATOM 0 HD23 LEU A 61 7.029 2.815 3.698 1.00 0.00 H new ATOM 931 N LYS A 62 6.893 1.931 -1.227 1.00 0.00 N ATOM 932 CA LYS A 62 6.931 1.088 -2.475 1.00 0.00 C ATOM 933 C LYS A 62 8.078 0.050 -2.305 1.00 0.00 C ATOM 934 O LYS A 62 7.927 -1.133 -2.532 1.00 0.00 O ATOM 935 CB LYS A 62 7.197 2.021 -3.676 1.00 0.00 C ATOM 936 CG LYS A 62 7.467 1.192 -4.951 1.00 0.00 C ATOM 937 CD LYS A 62 7.824 2.149 -6.104 1.00 0.00 C ATOM 938 CE LYS A 62 8.613 1.388 -7.181 1.00 0.00 C ATOM 939 NZ LYS A 62 9.923 0.943 -6.613 1.00 0.00 N ATOM 0 H LYS A 62 6.790 2.932 -1.393 1.00 0.00 H new ATOM 0 HA LYS A 62 5.992 0.560 -2.645 1.00 0.00 H new ATOM 0 HB2 LYS A 62 6.339 2.675 -3.834 1.00 0.00 H new ATOM 0 HB3 LYS A 62 8.052 2.663 -3.464 1.00 0.00 H new ATOM 0 HG2 LYS A 62 8.283 0.490 -4.778 1.00 0.00 H new ATOM 0 HG3 LYS A 62 6.588 0.602 -5.210 1.00 0.00 H new ATOM 0 HD2 LYS A 62 6.916 2.571 -6.534 1.00 0.00 H new ATOM 0 HD3 LYS A 62 8.415 2.984 -5.727 1.00 0.00 H new ATOM 0 HE2 LYS A 62 8.042 0.526 -7.526 1.00 0.00 H new ATOM 0 HE3 LYS A 62 8.778 2.028 -8.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 10.638 0.919 -7.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 10.224 1.607 -5.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 9.819 -0.008 -6.204 1.00 0.00 H new ATOM 953 N GLU A 63 9.209 0.571 -1.897 1.00 0.00 N ATOM 954 CA GLU A 63 10.443 -0.240 -1.658 1.00 0.00 C ATOM 955 C GLU A 63 10.084 -1.369 -0.654 1.00 0.00 C ATOM 956 O GLU A 63 10.334 -2.529 -0.912 1.00 0.00 O ATOM 957 CB GLU A 63 11.531 0.722 -1.081 1.00 0.00 C ATOM 958 CG GLU A 63 12.977 0.305 -1.438 1.00 0.00 C ATOM 959 CD GLU A 63 13.940 1.317 -0.771 1.00 0.00 C ATOM 960 OE1 GLU A 63 14.014 1.277 0.449 1.00 0.00 O ATOM 961 OE2 GLU A 63 14.545 2.077 -1.512 1.00 0.00 O ATOM 0 H GLU A 63 9.331 1.567 -1.713 1.00 0.00 H new ATOM 0 HA GLU A 63 10.826 -0.699 -2.570 1.00 0.00 H new ATOM 0 HB2 GLU A 63 11.349 1.729 -1.456 1.00 0.00 H new ATOM 0 HB3 GLU A 63 11.430 0.762 0.004 1.00 0.00 H new ATOM 0 HG2 GLU A 63 13.181 -0.706 -1.085 1.00 0.00 H new ATOM 0 HG3 GLU A 63 13.117 0.300 -2.519 1.00 0.00 H new ATOM 968 N LYS A 64 9.494 -0.992 0.459 1.00 0.00 N ATOM 969 CA LYS A 64 9.087 -1.963 1.530 1.00 0.00 C ATOM 970 C LYS A 64 8.359 -3.147 0.890 1.00 0.00 C ATOM 971 O LYS A 64 8.729 -4.290 1.061 1.00 0.00 O ATOM 972 CB LYS A 64 8.160 -1.231 2.534 1.00 0.00 C ATOM 973 CG LYS A 64 8.031 -2.040 3.839 1.00 0.00 C ATOM 974 CD LYS A 64 7.010 -1.330 4.762 1.00 0.00 C ATOM 975 CE LYS A 64 7.031 -1.974 6.160 1.00 0.00 C ATOM 976 NZ LYS A 64 6.752 -3.438 6.077 1.00 0.00 N ATOM 0 H LYS A 64 9.271 -0.020 0.675 1.00 0.00 H new ATOM 0 HA LYS A 64 9.963 -2.340 2.058 1.00 0.00 H new ATOM 0 HB2 LYS A 64 8.560 -0.241 2.751 1.00 0.00 H new ATOM 0 HB3 LYS A 64 7.175 -1.087 2.090 1.00 0.00 H new ATOM 0 HG2 LYS A 64 7.702 -3.057 3.623 1.00 0.00 H new ATOM 0 HG3 LYS A 64 8.999 -2.116 4.334 1.00 0.00 H new ATOM 0 HD2 LYS A 64 7.251 -0.270 4.837 1.00 0.00 H new ATOM 0 HD3 LYS A 64 6.010 -1.401 4.335 1.00 0.00 H new ATOM 0 HE2 LYS A 64 8.003 -1.811 6.625 1.00 0.00 H new ATOM 0 HE3 LYS A 64 6.288 -1.494 6.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 6.537 -3.805 7.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 5.938 -3.601 5.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 7.586 -3.929 5.697 1.00 0.00 H new ATOM 990 N TYR A 65 7.336 -2.810 0.151 1.00 0.00 N ATOM 991 CA TYR A 65 6.499 -3.820 -0.555 1.00 0.00 C ATOM 992 C TYR A 65 7.424 -4.781 -1.280 1.00 0.00 C ATOM 993 O TYR A 65 7.457 -5.954 -0.979 1.00 0.00 O ATOM 994 CB TYR A 65 5.556 -3.020 -1.507 1.00 0.00 C ATOM 995 CG TYR A 65 4.909 -3.809 -2.671 1.00 0.00 C ATOM 996 CD1 TYR A 65 4.827 -5.191 -2.730 1.00 0.00 C ATOM 997 CD2 TYR A 65 4.385 -3.077 -3.724 1.00 0.00 C ATOM 998 CE1 TYR A 65 4.240 -5.817 -3.811 1.00 0.00 C ATOM 999 CE2 TYR A 65 3.799 -3.705 -4.801 1.00 0.00 C ATOM 1000 CZ TYR A 65 3.721 -5.077 -4.854 1.00 0.00 C ATOM 1001 OH TYR A 65 3.131 -5.699 -5.936 1.00 0.00 O ATOM 0 H TYR A 65 7.038 -1.846 0.004 1.00 0.00 H new ATOM 0 HA TYR A 65 5.884 -4.425 0.111 1.00 0.00 H new ATOM 0 HB2 TYR A 65 4.758 -2.584 -0.907 1.00 0.00 H new ATOM 0 HB3 TYR A 65 6.124 -2.192 -1.932 1.00 0.00 H new ATOM 0 HD1 TYR A 65 5.227 -5.785 -1.921 1.00 0.00 H new ATOM 0 HD2 TYR A 65 4.437 -1.998 -3.700 1.00 0.00 H new ATOM 0 HE1 TYR A 65 4.186 -6.895 -3.841 1.00 0.00 H new ATOM 0 HE2 TYR A 65 3.397 -3.115 -5.611 1.00 0.00 H new ATOM 0 HH TYR A 65 2.821 -5.022 -6.573 1.00 0.00 H new ATOM 1011 N GLU A 66 8.149 -4.228 -2.207 1.00 0.00 N ATOM 1012 CA GLU A 66 9.123 -4.996 -3.035 1.00 0.00 C ATOM 1013 C GLU A 66 10.017 -5.985 -2.250 1.00 0.00 C ATOM 1014 O GLU A 66 10.461 -6.979 -2.786 1.00 0.00 O ATOM 1015 CB GLU A 66 10.015 -4.014 -3.749 1.00 0.00 C ATOM 1016 CG GLU A 66 9.191 -3.043 -4.636 1.00 0.00 C ATOM 1017 CD GLU A 66 9.111 -3.572 -6.077 1.00 0.00 C ATOM 1018 OE1 GLU A 66 10.143 -3.530 -6.730 1.00 0.00 O ATOM 1019 OE2 GLU A 66 8.026 -3.988 -6.446 1.00 0.00 O ATOM 0 H GLU A 66 8.106 -3.235 -2.435 1.00 0.00 H new ATOM 0 HA GLU A 66 8.527 -5.605 -3.714 1.00 0.00 H new ATOM 0 HB2 GLU A 66 10.589 -3.444 -3.019 1.00 0.00 H new ATOM 0 HB3 GLU A 66 10.732 -4.554 -4.367 1.00 0.00 H new ATOM 0 HG2 GLU A 66 8.187 -2.930 -4.227 1.00 0.00 H new ATOM 0 HG3 GLU A 66 9.651 -2.055 -4.629 1.00 0.00 H new ATOM 1026 N LYS A 67 10.242 -5.669 -1.001 1.00 0.00 N ATOM 1027 CA LYS A 67 11.095 -6.517 -0.108 1.00 0.00 C ATOM 1028 C LYS A 67 10.307 -7.595 0.619 1.00 0.00 C ATOM 1029 O LYS A 67 10.777 -8.689 0.861 1.00 0.00 O ATOM 1030 CB LYS A 67 11.787 -5.616 0.938 1.00 0.00 C ATOM 1031 CG LYS A 67 13.161 -5.127 0.468 1.00 0.00 C ATOM 1032 CD LYS A 67 13.088 -4.282 -0.821 1.00 0.00 C ATOM 1033 CE LYS A 67 14.503 -3.811 -1.197 1.00 0.00 C ATOM 1034 NZ LYS A 67 15.400 -4.982 -1.414 1.00 0.00 N ATOM 0 H LYS A 67 9.861 -4.837 -0.549 1.00 0.00 H new ATOM 0 HA LYS A 67 11.823 -7.019 -0.745 1.00 0.00 H new ATOM 0 HB2 LYS A 67 11.151 -4.756 1.151 1.00 0.00 H new ATOM 0 HB3 LYS A 67 11.900 -6.168 1.871 1.00 0.00 H new ATOM 0 HG2 LYS A 67 13.621 -4.535 1.259 1.00 0.00 H new ATOM 0 HG3 LYS A 67 13.808 -5.987 0.297 1.00 0.00 H new ATOM 0 HD2 LYS A 67 12.660 -4.871 -1.632 1.00 0.00 H new ATOM 0 HD3 LYS A 67 12.434 -3.423 -0.671 1.00 0.00 H new ATOM 0 HE2 LYS A 67 14.463 -3.203 -2.101 1.00 0.00 H new ATOM 0 HE3 LYS A 67 14.905 -3.179 -0.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 16.231 -4.686 -1.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 15.710 -5.357 -0.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 14.886 -5.722 -1.934 1.00 0.00 H new ATOM 1048 N ASP A 68 9.111 -7.213 0.932 1.00 0.00 N ATOM 1049 CA ASP A 68 8.156 -8.079 1.648 1.00 0.00 C ATOM 1050 C ASP A 68 7.531 -9.043 0.673 1.00 0.00 C ATOM 1051 O ASP A 68 7.033 -10.074 1.078 1.00 0.00 O ATOM 1052 CB ASP A 68 7.081 -7.226 2.262 1.00 0.00 C ATOM 1053 CG ASP A 68 7.599 -6.461 3.499 1.00 0.00 C ATOM 1054 OD1 ASP A 68 8.538 -5.698 3.337 1.00 0.00 O ATOM 1055 OD2 ASP A 68 7.023 -6.682 4.550 1.00 0.00 O ATOM 0 H ASP A 68 8.741 -6.289 0.708 1.00 0.00 H new ATOM 0 HA ASP A 68 8.676 -8.634 2.429 1.00 0.00 H new ATOM 0 HB2 ASP A 68 6.713 -6.515 1.522 1.00 0.00 H new ATOM 0 HB3 ASP A 68 6.237 -7.854 2.549 1.00 0.00 H new ATOM 1060 N ILE A 69 7.576 -8.677 -0.582 1.00 0.00 N ATOM 1061 CA ILE A 69 6.976 -9.574 -1.595 1.00 0.00 C ATOM 1062 C ILE A 69 8.057 -10.547 -1.996 1.00 0.00 C ATOM 1063 O ILE A 69 7.832 -11.727 -2.118 1.00 0.00 O ATOM 1064 CB ILE A 69 6.478 -8.724 -2.796 1.00 0.00 C ATOM 1065 CG1 ILE A 69 5.982 -9.623 -3.916 1.00 0.00 C ATOM 1066 CG2 ILE A 69 7.590 -7.908 -3.424 1.00 0.00 C ATOM 1067 CD1 ILE A 69 5.018 -10.655 -3.374 1.00 0.00 C ATOM 0 H ILE A 69 7.993 -7.816 -0.937 1.00 0.00 H new ATOM 0 HA ILE A 69 6.114 -10.121 -1.213 1.00 0.00 H new ATOM 0 HB ILE A 69 5.698 -8.080 -2.390 1.00 0.00 H new ATOM 0 HG12 ILE A 69 5.490 -9.023 -4.682 1.00 0.00 H new ATOM 0 HG13 ILE A 69 6.827 -10.120 -4.394 1.00 0.00 H new ATOM 0 HG21 ILE A 69 7.191 -7.331 -4.259 1.00 0.00 H new ATOM 0 HG22 ILE A 69 8.007 -7.229 -2.681 1.00 0.00 H new ATOM 0 HG23 ILE A 69 8.372 -8.576 -3.785 1.00 0.00 H new ATOM 0 HD11 ILE A 69 4.671 -11.292 -4.188 1.00 0.00 H new ATOM 0 HD12 ILE A 69 5.522 -11.266 -2.625 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.165 -10.152 -2.918 1.00 0.00 H new ATOM 1079 N ALA A 70 9.214 -9.998 -2.181 1.00 0.00 N ATOM 1080 CA ALA A 70 10.388 -10.823 -2.573 1.00 0.00 C ATOM 1081 C ALA A 70 10.550 -11.879 -1.475 1.00 0.00 C ATOM 1082 O ALA A 70 10.914 -13.011 -1.730 1.00 0.00 O ATOM 1083 CB ALA A 70 11.638 -9.939 -2.648 1.00 0.00 C ATOM 0 H ALA A 70 9.404 -9.001 -2.077 1.00 0.00 H new ATOM 0 HA ALA A 70 10.250 -11.287 -3.550 1.00 0.00 H new ATOM 0 HB1 ALA A 70 12.496 -10.546 -2.935 1.00 0.00 H new ATOM 0 HB2 ALA A 70 11.485 -9.154 -3.389 1.00 0.00 H new ATOM 0 HB3 ALA A 70 11.823 -9.487 -1.673 1.00 0.00 H new ATOM 1089 N ALA A 71 10.248 -11.456 -0.273 1.00 0.00 N ATOM 1090 CA ALA A 71 10.358 -12.359 0.898 1.00 0.00 C ATOM 1091 C ALA A 71 9.145 -13.281 0.929 1.00 0.00 C ATOM 1092 O ALA A 71 9.278 -14.466 1.145 1.00 0.00 O ATOM 1093 CB ALA A 71 10.411 -11.520 2.181 1.00 0.00 C ATOM 0 H ALA A 71 9.927 -10.512 -0.058 1.00 0.00 H new ATOM 0 HA ALA A 71 11.266 -12.958 0.825 1.00 0.00 H new ATOM 0 HB1 ALA A 71 10.492 -12.180 3.044 1.00 0.00 H new ATOM 0 HB2 ALA A 71 11.277 -10.859 2.148 1.00 0.00 H new ATOM 0 HB3 ALA A 71 9.502 -10.924 2.264 1.00 0.00 H new ATOM 1099 N TYR A 72 7.990 -12.721 0.701 1.00 0.00 N ATOM 1100 CA TYR A 72 6.738 -13.528 0.718 1.00 0.00 C ATOM 1101 C TYR A 72 6.718 -14.672 -0.297 1.00 0.00 C ATOM 1102 O TYR A 72 6.288 -15.766 0.019 1.00 0.00 O ATOM 1103 CB TYR A 72 5.575 -12.573 0.458 1.00 0.00 C ATOM 1104 CG TYR A 72 4.291 -13.337 0.098 1.00 0.00 C ATOM 1105 CD1 TYR A 72 3.818 -14.371 0.880 1.00 0.00 C ATOM 1106 CD2 TYR A 72 3.600 -12.988 -1.042 1.00 0.00 C ATOM 1107 CE1 TYR A 72 2.674 -15.043 0.516 1.00 0.00 C ATOM 1108 CE2 TYR A 72 2.460 -13.656 -1.408 1.00 0.00 C ATOM 1109 CZ TYR A 72 1.985 -14.693 -0.632 1.00 0.00 C ATOM 1110 OH TYR A 72 0.843 -15.373 -1.001 1.00 0.00 O ATOM 0 H TYR A 72 7.859 -11.729 0.502 1.00 0.00 H new ATOM 0 HA TYR A 72 6.662 -14.011 1.692 1.00 0.00 H new ATOM 0 HB2 TYR A 72 5.400 -11.961 1.343 1.00 0.00 H new ATOM 0 HB3 TYR A 72 5.835 -11.893 -0.353 1.00 0.00 H new ATOM 0 HD1 TYR A 72 4.346 -14.653 1.779 1.00 0.00 H new ATOM 0 HD2 TYR A 72 3.962 -12.177 -1.656 1.00 0.00 H new ATOM 0 HE1 TYR A 72 2.310 -15.852 1.132 1.00 0.00 H new ATOM 0 HE2 TYR A 72 1.933 -13.370 -2.306 1.00 0.00 H new ATOM 0 HH TYR A 72 0.054 -14.847 -0.753 1.00 0.00 H new ATOM 1120 N ARG A 73 7.189 -14.387 -1.481 1.00 0.00 N ATOM 1121 CA ARG A 73 7.206 -15.418 -2.544 1.00 0.00 C ATOM 1122 C ARG A 73 8.328 -16.392 -2.242 1.00 0.00 C ATOM 1123 O ARG A 73 8.265 -17.549 -2.606 1.00 0.00 O ATOM 1124 CB ARG A 73 7.394 -14.693 -3.918 1.00 0.00 C ATOM 1125 CG ARG A 73 8.875 -14.406 -4.269 1.00 0.00 C ATOM 1126 CD ARG A 73 8.945 -13.549 -5.558 1.00 0.00 C ATOM 1127 NE ARG A 73 9.873 -14.210 -6.525 1.00 0.00 N ATOM 1128 CZ ARG A 73 9.441 -14.548 -7.710 1.00 0.00 C ATOM 1129 NH1 ARG A 73 8.700 -15.614 -7.833 1.00 0.00 N ATOM 1130 NH2 ARG A 73 9.765 -13.806 -8.734 1.00 0.00 N ATOM 0 H ARG A 73 7.563 -13.478 -1.754 1.00 0.00 H new ATOM 0 HA ARG A 73 6.276 -15.985 -2.587 1.00 0.00 H new ATOM 0 HB2 ARG A 73 6.954 -15.305 -4.706 1.00 0.00 H new ATOM 0 HB3 ARG A 73 6.844 -13.752 -3.901 1.00 0.00 H new ATOM 0 HG2 ARG A 73 9.360 -13.883 -3.445 1.00 0.00 H new ATOM 0 HG3 ARG A 73 9.414 -15.343 -4.413 1.00 0.00 H new ATOM 0 HD2 ARG A 73 7.953 -13.446 -5.997 1.00 0.00 H new ATOM 0 HD3 ARG A 73 9.296 -12.544 -5.325 1.00 0.00 H new ATOM 0 HE ARG A 73 10.840 -14.396 -6.260 1.00 0.00 H new ATOM 0 HH11 ARG A 73 8.466 -16.170 -7.011 1.00 0.00 H new ATOM 0 HH12 ARG A 73 8.354 -15.892 -8.752 1.00 0.00 H new ATOM 0 HH21 ARG A 73 10.346 -12.978 -8.601 1.00 0.00 H new ATOM 0 HH22 ARG A 73 9.437 -14.054 -9.668 1.00 0.00 H new ATOM 1144 N ALA A 74 9.322 -15.869 -1.578 1.00 0.00 N ATOM 1145 CA ALA A 74 10.483 -16.731 -1.212 1.00 0.00 C ATOM 1146 C ALA A 74 10.011 -17.756 -0.158 1.00 0.00 C ATOM 1147 O ALA A 74 10.475 -18.880 -0.132 1.00 0.00 O ATOM 1148 CB ALA A 74 11.590 -15.847 -0.644 1.00 0.00 C ATOM 0 H ALA A 74 9.382 -14.896 -1.276 1.00 0.00 H new ATOM 0 HA ALA A 74 10.869 -17.262 -2.082 1.00 0.00 H new ATOM 0 HB1 ALA A 74 12.446 -16.465 -0.372 1.00 0.00 H new ATOM 0 HB2 ALA A 74 11.894 -15.117 -1.394 1.00 0.00 H new ATOM 0 HB3 ALA A 74 11.222 -15.327 0.241 1.00 0.00 H new ATOM 1154 N LYS A 75 9.097 -17.274 0.654 1.00 0.00 N ATOM 1155 CA LYS A 75 8.413 -17.975 1.793 1.00 0.00 C ATOM 1156 C LYS A 75 9.084 -17.360 3.026 1.00 0.00 C ATOM 1157 O LYS A 75 9.761 -18.008 3.802 1.00 0.00 O ATOM 1158 CB LYS A 75 8.633 -19.543 1.779 1.00 0.00 C ATOM 1159 CG LYS A 75 7.772 -20.188 2.912 1.00 0.00 C ATOM 1160 CD LYS A 75 6.248 -20.145 2.584 1.00 0.00 C ATOM 1161 CE LYS A 75 5.842 -21.403 1.789 1.00 0.00 C ATOM 1162 NZ LYS A 75 4.394 -21.335 1.429 1.00 0.00 N ATOM 0 H LYS A 75 8.766 -16.314 0.555 1.00 0.00 H new ATOM 0 HA LYS A 75 7.331 -17.847 1.754 1.00 0.00 H new ATOM 0 HB2 LYS A 75 8.349 -19.954 0.810 1.00 0.00 H new ATOM 0 HB3 LYS A 75 9.687 -19.777 1.928 1.00 0.00 H new ATOM 0 HG2 LYS A 75 8.082 -21.223 3.059 1.00 0.00 H new ATOM 0 HG3 LYS A 75 7.956 -19.664 3.850 1.00 0.00 H new ATOM 0 HD2 LYS A 75 5.671 -20.086 3.507 1.00 0.00 H new ATOM 0 HD3 LYS A 75 6.017 -19.250 2.006 1.00 0.00 H new ATOM 0 HE2 LYS A 75 6.446 -21.483 0.885 1.00 0.00 H new ATOM 0 HE3 LYS A 75 6.036 -22.297 2.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 4.129 -22.186 0.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 3.823 -21.280 2.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 4.220 -20.491 0.846 1.00 0.00 H new ATOM 1176 N GLY A 76 8.852 -16.079 3.141 1.00 0.00 N ATOM 1177 CA GLY A 76 9.403 -15.263 4.255 1.00 0.00 C ATOM 1178 C GLY A 76 8.284 -14.635 5.072 1.00 0.00 C ATOM 1179 O GLY A 76 8.091 -13.433 5.051 1.00 0.00 O ATOM 0 H GLY A 76 8.282 -15.549 2.482 1.00 0.00 H new ATOM 0 HA2 GLY A 76 10.021 -15.889 4.898 1.00 0.00 H new ATOM 0 HA3 GLY A 76 10.049 -14.482 3.854 1.00 0.00 H new ATOM 1183 N LYS A 77 7.587 -15.495 5.769 1.00 0.00 N ATOM 1184 CA LYS A 77 6.454 -15.071 6.635 1.00 0.00 C ATOM 1185 C LYS A 77 6.960 -14.949 8.083 1.00 0.00 C ATOM 1186 O LYS A 77 8.081 -15.333 8.362 1.00 0.00 O ATOM 1187 CB LYS A 77 5.323 -16.134 6.563 1.00 0.00 C ATOM 1188 CG LYS A 77 4.324 -15.773 5.452 1.00 0.00 C ATOM 1189 CD LYS A 77 3.103 -16.735 5.516 1.00 0.00 C ATOM 1190 CE LYS A 77 1.964 -16.156 4.655 1.00 0.00 C ATOM 1191 NZ LYS A 77 1.529 -14.850 5.237 1.00 0.00 N ATOM 0 H LYS A 77 7.764 -16.500 5.771 1.00 0.00 H new ATOM 0 HA LYS A 77 6.063 -14.111 6.298 1.00 0.00 H new ATOM 0 HB2 LYS A 77 5.751 -17.118 6.372 1.00 0.00 H new ATOM 0 HB3 LYS A 77 4.807 -16.192 7.521 1.00 0.00 H new ATOM 0 HG2 LYS A 77 3.993 -14.741 5.568 1.00 0.00 H new ATOM 0 HG3 LYS A 77 4.807 -15.846 4.477 1.00 0.00 H new ATOM 0 HD2 LYS A 77 3.383 -17.724 5.154 1.00 0.00 H new ATOM 0 HD3 LYS A 77 2.772 -16.855 6.547 1.00 0.00 H new ATOM 0 HE2 LYS A 77 2.302 -16.017 3.628 1.00 0.00 H new ATOM 0 HE3 LYS A 77 1.125 -16.852 4.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 0.516 -14.706 5.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 1.693 -14.856 6.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 2.074 -14.078 4.803 1.00 0.00 H new ATOM 1205 N PRO A 78 6.140 -14.425 8.971 1.00 0.00 N ATOM 1206 CA PRO A 78 6.467 -14.356 10.422 1.00 0.00 C ATOM 1207 C PRO A 78 6.385 -15.743 11.078 1.00 0.00 C ATOM 1208 O PRO A 78 6.527 -15.870 12.280 1.00 0.00 O ATOM 1209 CB PRO A 78 5.437 -13.352 11.000 1.00 0.00 C ATOM 1210 CG PRO A 78 4.857 -12.655 9.735 1.00 0.00 C ATOM 1211 CD PRO A 78 4.816 -13.799 8.710 1.00 0.00 C ATOM 0 HA PRO A 78 7.489 -14.028 10.612 1.00 0.00 H new ATOM 0 HB2 PRO A 78 4.659 -13.859 11.571 1.00 0.00 H new ATOM 0 HB3 PRO A 78 5.909 -12.635 11.672 1.00 0.00 H new ATOM 0 HG2 PRO A 78 3.866 -12.240 9.919 1.00 0.00 H new ATOM 0 HG3 PRO A 78 5.489 -11.833 9.400 1.00 0.00 H new ATOM 0 HD2 PRO A 78 3.988 -14.486 8.885 1.00 0.00 H new ATOM 0 HD3 PRO A 78 4.720 -13.438 7.686 1.00 0.00 H new ATOM 1219 N ASP A 79 6.154 -16.733 10.254 1.00 0.00 N ATOM 1220 CA ASP A 79 6.048 -18.136 10.739 1.00 0.00 C ATOM 1221 C ASP A 79 6.888 -19.105 9.893 1.00 0.00 C ATOM 1222 O ASP A 79 6.400 -20.167 9.553 1.00 0.00 O ATOM 1223 CB ASP A 79 4.551 -18.514 10.705 1.00 0.00 C ATOM 1224 CG ASP A 79 3.756 -17.494 11.541 1.00 0.00 C ATOM 1225 OD1 ASP A 79 3.918 -17.527 12.750 1.00 0.00 O ATOM 1226 OD2 ASP A 79 3.036 -16.733 10.914 1.00 0.00 O ATOM 0 H ASP A 79 6.033 -16.622 9.247 1.00 0.00 H new ATOM 0 HA ASP A 79 6.444 -18.212 11.752 1.00 0.00 H new ATOM 0 HB2 ASP A 79 4.188 -18.522 9.677 1.00 0.00 H new ATOM 0 HB3 ASP A 79 4.408 -19.519 11.102 1.00 0.00 H new ATOM 1231 N ALA A 80 8.103 -18.695 9.580 1.00 0.00 N ATOM 1232 CA ALA A 80 9.088 -19.504 8.768 1.00 0.00 C ATOM 1233 C ALA A 80 8.757 -21.007 8.683 1.00 0.00 C ATOM 1234 O ALA A 80 8.731 -21.586 7.615 1.00 0.00 O ATOM 1235 CB ALA A 80 10.492 -19.337 9.379 1.00 0.00 C ATOM 0 H ALA A 80 8.469 -17.788 9.869 1.00 0.00 H new ATOM 0 HA ALA A 80 9.036 -19.120 7.749 1.00 0.00 H new ATOM 0 HB1 ALA A 80 11.212 -19.917 8.801 1.00 0.00 H new ATOM 0 HB2 ALA A 80 10.775 -18.284 9.359 1.00 0.00 H new ATOM 0 HB3 ALA A 80 10.485 -19.692 10.410 1.00 0.00 H new ATOM 1241 N ALA A 81 8.519 -21.570 9.842 1.00 0.00 N ATOM 1242 CA ALA A 81 8.175 -23.017 9.982 1.00 0.00 C ATOM 1243 C ALA A 81 6.691 -23.113 10.395 1.00 0.00 C ATOM 1244 O ALA A 81 5.979 -23.809 9.692 1.00 0.00 O ATOM 1245 CB ALA A 81 9.073 -23.634 11.062 1.00 0.00 C ATOM 1246 OXT ALA A 81 6.351 -22.485 11.387 1.00 0.00 O ATOM 0 H ALA A 81 8.551 -21.066 10.728 1.00 0.00 H new ATOM 0 HA ALA A 81 8.330 -23.554 9.046 1.00 0.00 H new ATOM 0 HB1 ALA A 81 8.832 -24.691 11.175 1.00 0.00 H new ATOM 0 HB2 ALA A 81 10.118 -23.529 10.770 1.00 0.00 H new ATOM 0 HB3 ALA A 81 8.908 -23.121 12.009 1.00 0.00 H new TER 1252 ALA A 81 HETATM 1253 C1 BME A 82 -8.828 11.551 1.620 1.00 0.00 C HETATM 1254 C2 BME A 82 -7.761 10.539 2.058 1.00 0.00 C HETATM 1255 O1 BME A 82 -9.763 11.552 2.690 1.00 0.00 O HETATM 1256 S2 BME A 82 -6.374 10.254 0.930 1.00 0.00 S HETATM 0 HO1 BME A 82 -10.487 12.181 2.491 1.00 0.00 H new HETATM 0 H22 BME A 82 -7.356 10.869 3.014 1.00 0.00 H new HETATM 0 H21 BME A 82 -8.255 9.583 2.234 1.00 0.00 H new HETATM 0 H12 BME A 82 -8.399 12.541 1.464 1.00 0.00 H new HETATM 0 H11 BME A 82 -9.296 11.256 0.681 1.00 0.00 H new