USER MOD reduce.3.24.130724 H: found=0, std=0, add=822, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 824 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 Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ -161:sc= -0.0407 (180deg=-0.294) USER MOD Single : A 20 ASN :FLIP amide:sc= -0.391 F(o=-0.94,f=-0.39) USER MOD Single : A 24 SER OG : rot 150:sc= 0 USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot -55:sc= 1.15 USER MOD Single : A 37 CYS SG : rot 180:sc= 0 USER MOD Single : A 39 HIS : no HD1:sc= 0 X(o=0,f=-0.044) USER MOD Single : A 40 CYS SG : rot 153:sc= -0.131 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -6.16! C(o=-6.2!,f=-7.4!) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN :FLIP amide:sc= -2.25 F(o=-5!,f=-2.2) USER MOD Single : A 58 THR OG1 : rot -54:sc= 1.66 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc=-0.000804 (180deg=-0.000804) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 170:sc= 0 USER MOD Single : A 72 ASN : amide:sc= -4.96! C(o=-5!,f=-5.2!) USER MOD Single : A 73 GLN : amide:sc= -0.108 K(o=-0.11,f=-1.4!) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 126:sc= 0.778 USER MOD Single : A 86 THR OG1 : rot -56:sc= 0.965 USER MOD Single : A 88 LYS NZ :NH3+ 157:sc= 0 (180deg=-0.931) USER MOD Single : A 91 GLN :FLIP amide:sc= -0.598 F(o=-1.6,f=-0.6) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot 180:sc= -0.0135 USER MOD Single : A 104 THR OG1 : rot -36:sc= 0.0726 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 119 ASN : amide:sc= -7.38! C(o=-7.4!,f=-11!) USER MOD ----------------------------------------------------------------- ATOM 66 N ASP A 8 -7.121 5.870 4.132 1.00 0.00 N ATOM 67 CA ASP A 8 -6.683 6.397 2.845 1.00 0.00 C ATOM 68 C ASP A 8 -6.109 5.286 1.971 1.00 0.00 C ATOM 69 O ASP A 8 -5.537 5.547 0.912 1.00 0.00 O ATOM 70 CB ASP A 8 -5.637 7.494 3.048 1.00 0.00 C ATOM 71 CG ASP A 8 -5.455 8.355 1.814 1.00 0.00 C ATOM 72 OD1 ASP A 8 -6.461 8.909 1.322 1.00 0.00 O ATOM 73 OD2 ASP A 8 -4.306 8.477 1.340 1.00 0.00 O ATOM 0 HA ASP A 8 -7.550 6.822 2.340 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -5.933 8.124 3.887 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -4.683 7.038 3.313 1.00 0.00 H new ATOM 78 N VAL A 9 -6.265 4.045 2.421 1.00 0.00 N ATOM 79 CA VAL A 9 -5.763 2.894 1.680 1.00 0.00 C ATOM 80 C VAL A 9 -6.427 2.789 0.312 1.00 0.00 C ATOM 81 O VAL A 9 -7.632 2.556 0.212 1.00 0.00 O ATOM 82 CB VAL A 9 -5.996 1.583 2.454 1.00 0.00 C ATOM 83 CG1 VAL A 9 -5.051 0.497 1.963 1.00 0.00 C ATOM 84 CG2 VAL A 9 -5.829 1.810 3.949 1.00 0.00 C ATOM 0 H VAL A 9 -6.735 3.811 3.295 1.00 0.00 H new ATOM 0 HA VAL A 9 -4.691 3.044 1.550 1.00 0.00 H new ATOM 0 HB VAL A 9 -7.018 1.251 2.272 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -5.231 -0.422 2.522 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -5.224 0.316 0.902 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.020 0.817 2.113 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -5.997 0.873 4.480 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -4.819 2.166 4.152 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -6.551 2.553 4.287 1.00 0.00 H new ATOM 94 N ILE A 10 -5.633 2.960 -0.740 1.00 0.00 N ATOM 95 CA ILE A 10 -6.144 2.883 -2.102 1.00 0.00 C ATOM 96 C ILE A 10 -6.018 1.468 -2.657 1.00 0.00 C ATOM 97 O ILE A 10 -5.128 0.715 -2.265 1.00 0.00 O ATOM 98 CB ILE A 10 -5.404 3.857 -3.038 1.00 0.00 C ATOM 99 CG1 ILE A 10 -5.550 5.294 -2.533 1.00 0.00 C ATOM 100 CG2 ILE A 10 -5.933 3.732 -4.459 1.00 0.00 C ATOM 101 CD1 ILE A 10 -4.547 6.252 -3.137 1.00 0.00 C ATOM 0 H ILE A 10 -4.634 3.153 -0.675 1.00 0.00 H new ATOM 0 HA ILE A 10 -7.197 3.162 -2.060 1.00 0.00 H new ATOM 0 HB ILE A 10 -4.345 3.599 -3.042 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -6.557 5.648 -2.754 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -5.441 5.302 -1.449 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -5.400 4.427 -5.108 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -5.781 2.713 -4.815 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -6.997 3.966 -4.473 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -4.710 7.251 -2.733 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -3.537 5.922 -2.894 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -4.671 6.273 -4.220 1.00 0.00 H new ATOM 113 N GLU A 11 -6.915 1.115 -3.573 1.00 0.00 N ATOM 114 CA GLU A 11 -6.903 -0.210 -4.183 1.00 0.00 C ATOM 115 C GLU A 11 -6.568 -0.122 -5.669 1.00 0.00 C ATOM 116 O GLU A 11 -7.175 0.654 -6.409 1.00 0.00 O ATOM 117 CB GLU A 11 -8.258 -0.895 -3.993 1.00 0.00 C ATOM 118 CG GLU A 11 -8.334 -2.276 -4.623 1.00 0.00 C ATOM 119 CD GLU A 11 -9.336 -3.179 -3.929 1.00 0.00 C ATOM 120 OE1 GLU A 11 -9.098 -3.539 -2.757 1.00 0.00 O ATOM 121 OE2 GLU A 11 -10.357 -3.525 -4.558 1.00 0.00 O ATOM 0 H GLU A 11 -7.658 1.727 -3.909 1.00 0.00 H new ATOM 0 HA GLU A 11 -6.132 -0.802 -3.690 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -8.467 -0.979 -2.927 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -9.038 -0.265 -4.422 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -8.606 -2.177 -5.674 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -7.349 -2.741 -4.591 1.00 0.00 H new ATOM 128 N LEU A 12 -5.598 -0.921 -6.099 1.00 0.00 N ATOM 129 CA LEU A 12 -5.181 -0.934 -7.497 1.00 0.00 C ATOM 130 C LEU A 12 -5.481 -2.283 -8.142 1.00 0.00 C ATOM 131 O LEU A 12 -5.820 -3.249 -7.458 1.00 0.00 O ATOM 132 CB LEU A 12 -3.687 -0.624 -7.607 1.00 0.00 C ATOM 133 CG LEU A 12 -3.193 0.589 -6.817 1.00 0.00 C ATOM 134 CD1 LEU A 12 -1.682 0.540 -6.654 1.00 0.00 C ATOM 135 CD2 LEU A 12 -3.616 1.880 -7.503 1.00 0.00 C ATOM 0 H LEU A 12 -5.085 -1.568 -5.500 1.00 0.00 H new ATOM 0 HA LEU A 12 -5.745 -0.166 -8.026 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.129 -1.500 -7.276 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.445 -0.471 -8.659 1.00 0.00 H new ATOM 0 HG LEU A 12 -3.646 0.562 -5.826 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.349 1.411 -6.090 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -1.403 -0.368 -6.119 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.210 0.542 -7.636 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -3.256 2.733 -6.927 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -3.192 1.915 -8.507 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -4.703 1.919 -7.567 1.00 0.00 H new ATOM 147 N THR A 13 -5.352 -2.343 -9.464 1.00 0.00 N ATOM 148 CA THR A 13 -5.608 -3.573 -10.202 1.00 0.00 C ATOM 149 C THR A 13 -4.423 -3.940 -11.087 1.00 0.00 C ATOM 150 O THR A 13 -3.571 -3.101 -11.380 1.00 0.00 O ATOM 151 CB THR A 13 -6.870 -3.451 -11.077 1.00 0.00 C ATOM 152 OG1 THR A 13 -7.862 -2.672 -10.400 1.00 0.00 O ATOM 153 CG2 THR A 13 -7.435 -4.825 -11.407 1.00 0.00 C ATOM 0 H THR A 13 -5.072 -1.553 -10.045 1.00 0.00 H new ATOM 0 HA THR A 13 -5.762 -4.359 -9.463 1.00 0.00 H new ATOM 0 HB THR A 13 -6.593 -2.956 -12.008 1.00 0.00 H new ATOM 0 HG1 THR A 13 -8.660 -2.598 -10.964 1.00 0.00 H new ATOM 0 HG21 THR A 13 -8.326 -4.713 -12.026 1.00 0.00 H new ATOM 0 HG22 THR A 13 -6.688 -5.405 -11.948 1.00 0.00 H new ATOM 0 HG23 THR A 13 -7.697 -5.342 -10.484 1.00 0.00 H new ATOM 161 N ASP A 14 -4.374 -5.198 -11.511 1.00 0.00 N ATOM 162 CA ASP A 14 -3.293 -5.676 -12.365 1.00 0.00 C ATOM 163 C ASP A 14 -2.977 -4.662 -13.459 1.00 0.00 C ATOM 164 O ASP A 14 -1.812 -4.368 -13.729 1.00 0.00 O ATOM 165 CB ASP A 14 -3.666 -7.021 -12.992 1.00 0.00 C ATOM 166 CG ASP A 14 -3.536 -8.172 -12.013 1.00 0.00 C ATOM 167 OD1 ASP A 14 -2.509 -8.236 -11.306 1.00 0.00 O ATOM 168 OD2 ASP A 14 -4.462 -9.007 -11.954 1.00 0.00 O ATOM 0 H ASP A 14 -5.071 -5.905 -11.277 1.00 0.00 H new ATOM 0 HA ASP A 14 -2.405 -5.806 -11.747 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -4.691 -6.975 -13.360 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -3.025 -7.207 -13.854 1.00 0.00 H new ATOM 173 N ASP A 15 -4.020 -4.131 -14.087 1.00 0.00 N ATOM 174 CA ASP A 15 -3.853 -3.149 -15.152 1.00 0.00 C ATOM 175 C ASP A 15 -3.961 -1.730 -14.605 1.00 0.00 C ATOM 176 O ASP A 15 -3.615 -0.763 -15.284 1.00 0.00 O ATOM 177 CB ASP A 15 -4.900 -3.368 -16.246 1.00 0.00 C ATOM 178 CG ASP A 15 -6.312 -3.409 -15.695 1.00 0.00 C ATOM 179 OD1 ASP A 15 -6.768 -4.507 -15.312 1.00 0.00 O ATOM 180 OD2 ASP A 15 -6.962 -2.344 -15.648 1.00 0.00 O ATOM 0 H ASP A 15 -4.991 -4.364 -13.877 1.00 0.00 H new ATOM 0 HA ASP A 15 -2.859 -3.280 -15.580 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -4.824 -2.569 -16.983 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -4.688 -4.302 -16.766 1.00 0.00 H new ATOM 185 N SER A 16 -4.445 -1.611 -13.372 1.00 0.00 N ATOM 186 CA SER A 16 -4.603 -0.310 -12.735 1.00 0.00 C ATOM 187 C SER A 16 -3.517 -0.081 -11.688 1.00 0.00 C ATOM 188 O SER A 16 -3.629 0.808 -10.843 1.00 0.00 O ATOM 189 CB SER A 16 -5.984 -0.201 -12.085 1.00 0.00 C ATOM 190 OG SER A 16 -7.007 -0.159 -13.066 1.00 0.00 O ATOM 0 H SER A 16 -4.734 -2.401 -12.795 1.00 0.00 H new ATOM 0 HA SER A 16 -4.509 0.457 -13.504 1.00 0.00 H new ATOM 0 HB2 SER A 16 -6.146 -1.051 -11.422 1.00 0.00 H new ATOM 0 HB3 SER A 16 -6.030 0.697 -11.469 1.00 0.00 H new ATOM 0 HG SER A 16 -7.880 -0.091 -12.626 1.00 0.00 H new ATOM 196 N PHE A 17 -2.465 -0.891 -11.750 1.00 0.00 N ATOM 197 CA PHE A 17 -1.358 -0.780 -10.807 1.00 0.00 C ATOM 198 C PHE A 17 -0.289 0.174 -11.334 1.00 0.00 C ATOM 199 O PHE A 17 0.340 0.902 -10.566 1.00 0.00 O ATOM 200 CB PHE A 17 -0.744 -2.156 -10.543 1.00 0.00 C ATOM 201 CG PHE A 17 0.597 -2.096 -9.871 1.00 0.00 C ATOM 202 CD1 PHE A 17 1.719 -1.682 -10.571 1.00 0.00 C ATOM 203 CD2 PHE A 17 0.736 -2.452 -8.539 1.00 0.00 C ATOM 204 CE1 PHE A 17 2.955 -1.626 -9.954 1.00 0.00 C ATOM 205 CE2 PHE A 17 1.970 -2.398 -7.917 1.00 0.00 C ATOM 206 CZ PHE A 17 3.080 -1.983 -8.626 1.00 0.00 C ATOM 0 H PHE A 17 -2.356 -1.631 -12.443 1.00 0.00 H new ATOM 0 HA PHE A 17 -1.749 -0.380 -9.872 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -1.427 -2.736 -9.922 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -0.644 -2.688 -11.489 1.00 0.00 H new ATOM 0 HD1 PHE A 17 1.627 -1.400 -11.609 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -0.130 -2.775 -7.980 1.00 0.00 H new ATOM 0 HE1 PHE A 17 3.822 -1.303 -10.511 1.00 0.00 H new ATOM 0 HE2 PHE A 17 2.065 -2.680 -6.879 1.00 0.00 H new ATOM 0 HZ PHE A 17 4.045 -1.938 -8.142 1.00 0.00 H new ATOM 216 N ASP A 18 -0.090 0.162 -12.647 1.00 0.00 N ATOM 217 CA ASP A 18 0.902 1.025 -13.278 1.00 0.00 C ATOM 218 C ASP A 18 0.310 2.397 -13.587 1.00 0.00 C ATOM 219 O ASP A 18 0.886 3.427 -13.237 1.00 0.00 O ATOM 220 CB ASP A 18 1.427 0.381 -14.561 1.00 0.00 C ATOM 221 CG ASP A 18 1.873 -1.052 -14.349 1.00 0.00 C ATOM 222 OD1 ASP A 18 2.934 -1.257 -13.723 1.00 0.00 O ATOM 223 OD2 ASP A 18 1.162 -1.970 -14.810 1.00 0.00 O ATOM 0 H ASP A 18 -0.602 -0.436 -13.295 1.00 0.00 H new ATOM 0 HA ASP A 18 1.730 1.155 -12.582 1.00 0.00 H new ATOM 0 HB2 ASP A 18 0.647 0.407 -15.322 1.00 0.00 H new ATOM 0 HB3 ASP A 18 2.264 0.966 -14.942 1.00 0.00 H new ATOM 228 N LYS A 19 -0.843 2.402 -14.247 1.00 0.00 N ATOM 229 CA LYS A 19 -1.515 3.646 -14.605 1.00 0.00 C ATOM 230 C LYS A 19 -1.727 4.523 -13.375 1.00 0.00 C ATOM 231 O LYS A 19 -2.022 5.712 -13.492 1.00 0.00 O ATOM 232 CB LYS A 19 -2.860 3.350 -15.272 1.00 0.00 C ATOM 233 CG LYS A 19 -2.820 2.165 -16.221 1.00 0.00 C ATOM 234 CD LYS A 19 -4.037 2.139 -17.131 1.00 0.00 C ATOM 235 CE LYS A 19 -3.861 1.145 -18.268 1.00 0.00 C ATOM 236 NZ LYS A 19 -2.796 1.571 -19.219 1.00 0.00 N ATOM 0 H LYS A 19 -1.332 1.558 -14.545 1.00 0.00 H new ATOM 0 HA LYS A 19 -0.879 4.184 -15.308 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -3.605 3.161 -14.500 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -3.186 4.233 -15.821 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -1.914 2.212 -16.825 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -2.774 1.239 -15.647 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -4.921 1.876 -16.550 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -4.208 3.135 -17.540 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -3.612 0.166 -17.859 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -4.804 1.036 -18.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -2.916 1.069 -20.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -2.865 2.596 -19.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -1.863 1.346 -18.819 1.00 0.00 H new ATOM 250 N ASN A 20 -1.575 3.928 -12.196 1.00 0.00 N ATOM 251 CA ASN A 20 -1.749 4.656 -10.944 1.00 0.00 C ATOM 252 C ASN A 20 -0.402 4.935 -10.285 1.00 0.00 C ATOM 253 O ASN A 20 -0.252 5.904 -9.540 1.00 0.00 O ATOM 254 CB ASN A 20 -2.642 3.862 -9.989 1.00 0.00 C ATOM 255 CG ASN A 20 -4.106 3.924 -10.380 1.00 0.00 C ATOM 256 OD1 ASN A 20 -4.469 3.200 -11.432 1.00 0.00 O flip ATOM 257 ND2 ASN A 20 -4.902 4.616 -9.743 1.00 0.00 N flip ATOM 0 H ASN A 20 -1.332 2.944 -12.081 1.00 0.00 H new ATOM 0 HA ASN A 20 -2.227 5.609 -11.170 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -2.317 2.822 -9.972 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -2.522 4.250 -8.977 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -4.579 5.157 -8.941 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -5.884 4.648 -10.018 1.00 0.00 H new ATOM 264 N VAL A 21 0.576 4.080 -10.565 1.00 0.00 N ATOM 265 CA VAL A 21 1.912 4.235 -10.001 1.00 0.00 C ATOM 266 C VAL A 21 2.880 4.807 -11.030 1.00 0.00 C ATOM 267 O VAL A 21 3.406 5.908 -10.858 1.00 0.00 O ATOM 268 CB VAL A 21 2.463 2.892 -9.486 1.00 0.00 C ATOM 269 CG1 VAL A 21 3.943 3.013 -9.155 1.00 0.00 C ATOM 270 CG2 VAL A 21 1.674 2.423 -8.273 1.00 0.00 C ATOM 0 H VAL A 21 0.469 3.273 -11.179 1.00 0.00 H new ATOM 0 HA VAL A 21 1.824 4.928 -9.165 1.00 0.00 H new ATOM 0 HB VAL A 21 2.351 2.147 -10.274 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.314 2.054 -8.793 1.00 0.00 H new ATOM 0 HG12 VAL A 21 4.494 3.301 -10.051 1.00 0.00 H new ATOM 0 HG13 VAL A 21 4.083 3.771 -8.384 1.00 0.00 H new ATOM 0 HG21 VAL A 21 2.077 1.473 -7.922 1.00 0.00 H new ATOM 0 HG22 VAL A 21 1.752 3.166 -7.479 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.627 2.294 -8.548 1.00 0.00 H new ATOM 280 N LEU A 22 3.111 4.055 -12.100 1.00 0.00 N ATOM 281 CA LEU A 22 4.016 4.488 -13.159 1.00 0.00 C ATOM 282 C LEU A 22 3.545 5.802 -13.774 1.00 0.00 C ATOM 283 O LEU A 22 4.261 6.803 -13.746 1.00 0.00 O ATOM 284 CB LEU A 22 4.117 3.412 -14.242 1.00 0.00 C ATOM 285 CG LEU A 22 4.457 2.002 -13.757 1.00 0.00 C ATOM 286 CD1 LEU A 22 4.831 1.110 -14.931 1.00 0.00 C ATOM 287 CD2 LEU A 22 5.585 2.046 -12.737 1.00 0.00 C ATOM 0 H LEU A 22 2.684 3.142 -12.257 1.00 0.00 H new ATOM 0 HA LEU A 22 5.001 4.646 -12.720 1.00 0.00 H new ATOM 0 HB2 LEU A 22 3.168 3.372 -14.776 1.00 0.00 H new ATOM 0 HB3 LEU A 22 4.875 3.720 -14.962 1.00 0.00 H new ATOM 0 HG LEU A 22 3.575 1.582 -13.274 1.00 0.00 H new ATOM 0 HD11 LEU A 22 5.070 0.111 -14.567 1.00 0.00 H new ATOM 0 HD12 LEU A 22 3.993 1.053 -15.626 1.00 0.00 H new ATOM 0 HD13 LEU A 22 5.699 1.527 -15.443 1.00 0.00 H new ATOM 0 HD21 LEU A 22 5.813 1.034 -12.403 1.00 0.00 H new ATOM 0 HD22 LEU A 22 6.471 2.486 -13.194 1.00 0.00 H new ATOM 0 HD23 LEU A 22 5.279 2.650 -11.882 1.00 0.00 H new ATOM 299 N ASP A 23 2.337 5.791 -14.327 1.00 0.00 N ATOM 300 CA ASP A 23 1.769 6.983 -14.946 1.00 0.00 C ATOM 301 C ASP A 23 1.777 8.157 -13.973 1.00 0.00 C ATOM 302 O ASP A 23 1.597 9.308 -14.372 1.00 0.00 O ATOM 303 CB ASP A 23 0.341 6.706 -15.420 1.00 0.00 C ATOM 304 CG ASP A 23 -0.525 7.950 -15.403 1.00 0.00 C ATOM 305 OD1 ASP A 23 -0.163 8.935 -16.081 1.00 0.00 O ATOM 306 OD2 ASP A 23 -1.566 7.938 -14.714 1.00 0.00 O ATOM 0 H ASP A 23 1.732 4.970 -14.359 1.00 0.00 H new ATOM 0 HA ASP A 23 2.385 7.244 -15.807 1.00 0.00 H new ATOM 0 HB2 ASP A 23 0.369 6.300 -16.431 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -0.109 5.945 -14.783 1.00 0.00 H new ATOM 311 N SER A 24 1.987 7.858 -12.695 1.00 0.00 N ATOM 312 CA SER A 24 2.013 8.889 -11.663 1.00 0.00 C ATOM 313 C SER A 24 3.442 9.155 -11.198 1.00 0.00 C ATOM 314 O SER A 24 4.169 8.232 -10.833 1.00 0.00 O ATOM 315 CB SER A 24 1.146 8.472 -10.474 1.00 0.00 C ATOM 316 OG SER A 24 0.940 9.558 -9.587 1.00 0.00 O ATOM 0 H SER A 24 2.142 6.911 -12.349 1.00 0.00 H new ATOM 0 HA SER A 24 1.612 9.808 -12.091 1.00 0.00 H new ATOM 0 HB2 SER A 24 0.185 8.104 -10.832 1.00 0.00 H new ATOM 0 HB3 SER A 24 1.624 7.650 -9.942 1.00 0.00 H new ATOM 0 HG SER A 24 0.071 9.459 -9.145 1.00 0.00 H new ATOM 322 N GLU A 25 3.836 10.425 -11.214 1.00 0.00 N ATOM 323 CA GLU A 25 5.177 10.813 -10.795 1.00 0.00 C ATOM 324 C GLU A 25 5.310 10.756 -9.275 1.00 0.00 C ATOM 325 O GLU A 25 6.390 10.976 -8.727 1.00 0.00 O ATOM 326 CB GLU A 25 5.504 12.221 -11.294 1.00 0.00 C ATOM 327 CG GLU A 25 4.689 13.311 -10.619 1.00 0.00 C ATOM 328 CD GLU A 25 4.579 14.566 -11.463 1.00 0.00 C ATOM 329 OE1 GLU A 25 3.759 14.577 -12.405 1.00 0.00 O ATOM 330 OE2 GLU A 25 5.313 15.536 -11.182 1.00 0.00 O ATOM 0 H GLU A 25 3.246 11.201 -11.512 1.00 0.00 H new ATOM 0 HA GLU A 25 5.884 10.108 -11.231 1.00 0.00 H new ATOM 0 HB2 GLU A 25 6.564 12.418 -11.131 1.00 0.00 H new ATOM 0 HB3 GLU A 25 5.333 12.265 -12.370 1.00 0.00 H new ATOM 0 HG2 GLU A 25 3.689 12.932 -10.406 1.00 0.00 H new ATOM 0 HG3 GLU A 25 5.146 13.561 -9.661 1.00 0.00 H new ATOM 337 N ASP A 26 4.204 10.460 -8.602 1.00 0.00 N ATOM 338 CA ASP A 26 4.196 10.373 -7.146 1.00 0.00 C ATOM 339 C ASP A 26 4.588 8.974 -6.682 1.00 0.00 C ATOM 340 O ASP A 26 4.443 8.000 -7.421 1.00 0.00 O ATOM 341 CB ASP A 26 2.814 10.736 -6.600 1.00 0.00 C ATOM 342 CG ASP A 26 2.322 12.075 -7.114 1.00 0.00 C ATOM 343 OD1 ASP A 26 2.065 12.184 -8.331 1.00 0.00 O ATOM 344 OD2 ASP A 26 2.194 13.013 -6.300 1.00 0.00 O ATOM 0 H ASP A 26 3.302 10.276 -9.041 1.00 0.00 H new ATOM 0 HA ASP A 26 4.929 11.082 -6.761 1.00 0.00 H new ATOM 0 HB2 ASP A 26 2.101 9.959 -6.878 1.00 0.00 H new ATOM 0 HB3 ASP A 26 2.851 10.760 -5.511 1.00 0.00 H new ATOM 349 N VAL A 27 5.087 8.881 -5.454 1.00 0.00 N ATOM 350 CA VAL A 27 5.501 7.601 -4.891 1.00 0.00 C ATOM 351 C VAL A 27 4.294 6.771 -4.468 1.00 0.00 C ATOM 352 O VAL A 27 3.401 7.263 -3.778 1.00 0.00 O ATOM 353 CB VAL A 27 6.428 7.795 -3.676 1.00 0.00 C ATOM 354 CG1 VAL A 27 6.661 6.471 -2.966 1.00 0.00 C ATOM 355 CG2 VAL A 27 7.747 8.418 -4.108 1.00 0.00 C ATOM 0 H VAL A 27 5.215 9.677 -4.829 1.00 0.00 H new ATOM 0 HA VAL A 27 6.046 7.073 -5.673 1.00 0.00 H new ATOM 0 HB VAL A 27 5.944 8.475 -2.975 1.00 0.00 H new ATOM 0 HG11 VAL A 27 7.318 6.628 -2.111 1.00 0.00 H new ATOM 0 HG12 VAL A 27 5.708 6.070 -2.623 1.00 0.00 H new ATOM 0 HG13 VAL A 27 7.125 5.765 -3.655 1.00 0.00 H new ATOM 0 HG21 VAL A 27 8.390 8.548 -3.238 1.00 0.00 H new ATOM 0 HG22 VAL A 27 8.239 7.765 -4.828 1.00 0.00 H new ATOM 0 HG23 VAL A 27 7.558 9.388 -4.568 1.00 0.00 H new ATOM 365 N TRP A 28 4.274 5.511 -4.886 1.00 0.00 N ATOM 366 CA TRP A 28 3.176 4.611 -4.550 1.00 0.00 C ATOM 367 C TRP A 28 3.680 3.411 -3.757 1.00 0.00 C ATOM 368 O TRP A 28 4.519 2.648 -4.234 1.00 0.00 O ATOM 369 CB TRP A 28 2.470 4.139 -5.821 1.00 0.00 C ATOM 370 CG TRP A 28 1.487 5.134 -6.360 1.00 0.00 C ATOM 371 CD1 TRP A 28 1.765 6.221 -7.138 1.00 0.00 C ATOM 372 CD2 TRP A 28 0.069 5.134 -6.159 1.00 0.00 C ATOM 373 NE1 TRP A 28 0.605 6.897 -7.432 1.00 0.00 N ATOM 374 CE2 TRP A 28 -0.449 6.250 -6.844 1.00 0.00 C ATOM 375 CE3 TRP A 28 -0.813 4.298 -5.468 1.00 0.00 C ATOM 376 CZ2 TRP A 28 -1.809 6.550 -6.856 1.00 0.00 C ATOM 377 CZ3 TRP A 28 -2.162 4.598 -5.481 1.00 0.00 C ATOM 378 CH2 TRP A 28 -2.649 5.715 -6.172 1.00 0.00 C ATOM 0 H TRP A 28 5.005 5.089 -5.458 1.00 0.00 H new ATOM 0 HA TRP A 28 2.466 5.159 -3.931 1.00 0.00 H new ATOM 0 HB2 TRP A 28 3.217 3.927 -6.586 1.00 0.00 H new ATOM 0 HB3 TRP A 28 1.952 3.203 -5.614 1.00 0.00 H new ATOM 0 HD1 TRP A 28 2.751 6.507 -7.473 1.00 0.00 H new ATOM 0 HE1 TRP A 28 0.540 7.744 -7.997 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -0.447 3.434 -4.934 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -2.187 7.411 -7.387 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -2.853 3.960 -4.949 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -3.709 5.921 -6.164 1.00 0.00 H new ATOM 389 N MET A 29 3.161 3.249 -2.544 1.00 0.00 N ATOM 390 CA MET A 29 3.559 2.139 -1.686 1.00 0.00 C ATOM 391 C MET A 29 2.594 0.966 -1.833 1.00 0.00 C ATOM 392 O MET A 29 1.474 1.002 -1.323 1.00 0.00 O ATOM 393 CB MET A 29 3.613 2.589 -0.225 1.00 0.00 C ATOM 394 CG MET A 29 4.965 3.147 0.190 1.00 0.00 C ATOM 395 SD MET A 29 5.036 3.564 1.942 1.00 0.00 S ATOM 396 CE MET A 29 6.308 2.436 2.508 1.00 0.00 C ATOM 0 H MET A 29 2.465 3.871 -2.134 1.00 0.00 H new ATOM 0 HA MET A 29 4.552 1.812 -1.995 1.00 0.00 H new ATOM 0 HB2 MET A 29 2.849 3.349 -0.059 1.00 0.00 H new ATOM 0 HB3 MET A 29 3.366 1.743 0.416 1.00 0.00 H new ATOM 0 HG2 MET A 29 5.741 2.416 -0.037 1.00 0.00 H new ATOM 0 HG3 MET A 29 5.183 4.037 -0.400 1.00 0.00 H new ATOM 0 HE1 MET A 29 6.467 2.574 3.578 1.00 0.00 H new ATOM 0 HE2 MET A 29 5.995 1.409 2.317 1.00 0.00 H new ATOM 0 HE3 MET A 29 7.237 2.638 1.974 1.00 0.00 H new ATOM 406 N VAL A 30 3.037 -0.074 -2.533 1.00 0.00 N ATOM 407 CA VAL A 30 2.213 -1.258 -2.746 1.00 0.00 C ATOM 408 C VAL A 30 2.439 -2.290 -1.647 1.00 0.00 C ATOM 409 O VAL A 30 3.577 -2.641 -1.337 1.00 0.00 O ATOM 410 CB VAL A 30 2.505 -1.906 -4.112 1.00 0.00 C ATOM 411 CG1 VAL A 30 1.664 -3.160 -4.300 1.00 0.00 C ATOM 412 CG2 VAL A 30 2.256 -0.913 -5.237 1.00 0.00 C ATOM 0 H VAL A 30 3.961 -0.120 -2.962 1.00 0.00 H new ATOM 0 HA VAL A 30 1.174 -0.929 -2.723 1.00 0.00 H new ATOM 0 HB VAL A 30 3.556 -2.195 -4.140 1.00 0.00 H new ATOM 0 HG11 VAL A 30 1.884 -3.604 -5.271 1.00 0.00 H new ATOM 0 HG12 VAL A 30 1.898 -3.876 -3.512 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.607 -2.900 -4.252 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.467 -1.388 -6.195 1.00 0.00 H new ATOM 0 HG22 VAL A 30 1.215 -0.590 -5.214 1.00 0.00 H new ATOM 0 HG23 VAL A 30 2.907 -0.048 -5.109 1.00 0.00 H new ATOM 422 N GLU A 31 1.347 -2.773 -1.063 1.00 0.00 N ATOM 423 CA GLU A 31 1.428 -3.766 0.003 1.00 0.00 C ATOM 424 C GLU A 31 0.566 -4.983 -0.322 1.00 0.00 C ATOM 425 O GLU A 31 -0.653 -4.958 -0.150 1.00 0.00 O ATOM 426 CB GLU A 31 0.985 -3.154 1.334 1.00 0.00 C ATOM 427 CG GLU A 31 0.946 -4.152 2.479 1.00 0.00 C ATOM 428 CD GLU A 31 -0.238 -5.095 2.391 1.00 0.00 C ATOM 429 OE1 GLU A 31 -1.340 -4.707 2.833 1.00 0.00 O ATOM 430 OE2 GLU A 31 -0.063 -6.221 1.880 1.00 0.00 O ATOM 0 H GLU A 31 0.397 -2.494 -1.309 1.00 0.00 H new ATOM 0 HA GLU A 31 2.466 -4.089 0.087 1.00 0.00 H new ATOM 0 HB2 GLU A 31 1.663 -2.341 1.594 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -0.005 -2.716 1.211 1.00 0.00 H new ATOM 0 HG2 GLU A 31 1.869 -4.732 2.482 1.00 0.00 H new ATOM 0 HG3 GLU A 31 0.906 -3.612 3.425 1.00 0.00 H new ATOM 437 N PHE A 32 1.209 -6.047 -0.792 1.00 0.00 N ATOM 438 CA PHE A 32 0.503 -7.273 -1.142 1.00 0.00 C ATOM 439 C PHE A 32 0.081 -8.035 0.111 1.00 0.00 C ATOM 440 O PHE A 32 0.921 -8.550 0.849 1.00 0.00 O ATOM 441 CB PHE A 32 1.387 -8.163 -2.020 1.00 0.00 C ATOM 442 CG PHE A 32 1.893 -7.473 -3.254 1.00 0.00 C ATOM 443 CD1 PHE A 32 3.029 -6.681 -3.205 1.00 0.00 C ATOM 444 CD2 PHE A 32 1.233 -7.616 -4.464 1.00 0.00 C ATOM 445 CE1 PHE A 32 3.497 -6.045 -4.339 1.00 0.00 C ATOM 446 CE2 PHE A 32 1.697 -6.982 -5.602 1.00 0.00 C ATOM 447 CZ PHE A 32 2.830 -6.196 -5.539 1.00 0.00 C ATOM 0 H PHE A 32 2.218 -6.084 -0.939 1.00 0.00 H new ATOM 0 HA PHE A 32 -0.393 -7.000 -1.699 1.00 0.00 H new ATOM 0 HB2 PHE A 32 2.237 -8.510 -1.433 1.00 0.00 H new ATOM 0 HB3 PHE A 32 0.821 -9.047 -2.314 1.00 0.00 H new ATOM 0 HD1 PHE A 32 3.555 -6.559 -2.270 1.00 0.00 H new ATOM 0 HD2 PHE A 32 0.346 -8.230 -4.519 1.00 0.00 H new ATOM 0 HE1 PHE A 32 4.384 -5.430 -4.287 1.00 0.00 H new ATOM 0 HE2 PHE A 32 1.174 -7.102 -6.539 1.00 0.00 H new ATOM 0 HZ PHE A 32 3.194 -5.700 -6.426 1.00 0.00 H new ATOM 457 N TYR A 33 -1.225 -8.101 0.344 1.00 0.00 N ATOM 458 CA TYR A 33 -1.759 -8.796 1.508 1.00 0.00 C ATOM 459 C TYR A 33 -2.620 -9.983 1.087 1.00 0.00 C ATOM 460 O TYR A 33 -2.972 -10.124 -0.084 1.00 0.00 O ATOM 461 CB TYR A 33 -2.581 -7.836 2.369 1.00 0.00 C ATOM 462 CG TYR A 33 -3.991 -7.626 1.865 1.00 0.00 C ATOM 463 CD1 TYR A 33 -4.967 -8.599 2.047 1.00 0.00 C ATOM 464 CD2 TYR A 33 -4.348 -6.456 1.206 1.00 0.00 C ATOM 465 CE1 TYR A 33 -6.256 -8.413 1.587 1.00 0.00 C ATOM 466 CE2 TYR A 33 -5.635 -6.261 0.744 1.00 0.00 C ATOM 467 CZ TYR A 33 -6.586 -7.242 0.937 1.00 0.00 C ATOM 468 OH TYR A 33 -7.868 -7.051 0.477 1.00 0.00 O ATOM 0 H TYR A 33 -1.933 -7.681 -0.258 1.00 0.00 H new ATOM 0 HA TYR A 33 -0.918 -9.169 2.093 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -2.622 -8.220 3.388 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -2.072 -6.873 2.411 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -4.713 -9.516 2.557 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -3.607 -5.686 1.052 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -7.001 -9.180 1.735 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -5.896 -5.345 0.234 1.00 0.00 H new ATOM 0 HH TYR A 33 -8.122 -7.799 -0.103 1.00 0.00 H new ATOM 478 N ALA A 34 -2.957 -10.834 2.051 1.00 0.00 N ATOM 479 CA ALA A 34 -3.779 -12.007 1.782 1.00 0.00 C ATOM 480 C ALA A 34 -5.034 -12.009 2.649 1.00 0.00 C ATOM 481 O ALA A 34 -4.982 -11.789 3.859 1.00 0.00 O ATOM 482 CB ALA A 34 -2.975 -13.278 2.011 1.00 0.00 C ATOM 0 H ALA A 34 -2.673 -10.733 3.025 1.00 0.00 H new ATOM 0 HA ALA A 34 -4.091 -11.970 0.738 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -3.601 -14.146 1.806 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -2.112 -13.288 1.345 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -2.635 -13.312 3.046 1.00 0.00 H new ATOM 488 N PRO A 35 -6.190 -12.262 2.017 1.00 0.00 N ATOM 489 CA PRO A 35 -7.480 -12.298 2.712 1.00 0.00 C ATOM 490 C PRO A 35 -7.607 -13.504 3.636 1.00 0.00 C ATOM 491 O PRO A 35 -8.599 -13.649 4.351 1.00 0.00 O ATOM 492 CB PRO A 35 -8.496 -12.389 1.571 1.00 0.00 C ATOM 493 CG PRO A 35 -7.745 -13.013 0.445 1.00 0.00 C ATOM 494 CD PRO A 35 -6.326 -12.532 0.576 1.00 0.00 C ATOM 0 HA PRO A 35 -7.620 -11.430 3.357 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -9.358 -12.993 1.855 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -8.874 -11.404 1.297 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -7.795 -14.101 0.498 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -8.169 -12.721 -0.516 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -5.614 -13.285 0.239 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -6.149 -11.636 -0.019 1.00 0.00 H new ATOM 502 N TRP A 36 -6.598 -14.367 3.617 1.00 0.00 N ATOM 503 CA TRP A 36 -6.597 -15.562 4.454 1.00 0.00 C ATOM 504 C TRP A 36 -5.329 -15.635 5.296 1.00 0.00 C ATOM 505 O TRP A 36 -5.051 -16.655 5.929 1.00 0.00 O ATOM 506 CB TRP A 36 -6.723 -16.816 3.588 1.00 0.00 C ATOM 507 CG TRP A 36 -6.008 -16.706 2.275 1.00 0.00 C ATOM 508 CD1 TRP A 36 -6.577 -16.620 1.037 1.00 0.00 C ATOM 509 CD2 TRP A 36 -4.591 -16.672 2.071 1.00 0.00 C ATOM 510 NE1 TRP A 36 -5.599 -16.534 0.075 1.00 0.00 N ATOM 511 CE2 TRP A 36 -4.372 -16.564 0.684 1.00 0.00 C ATOM 512 CE3 TRP A 36 -3.486 -16.721 2.925 1.00 0.00 C ATOM 513 CZ2 TRP A 36 -3.094 -16.505 0.135 1.00 0.00 C ATOM 514 CZ3 TRP A 36 -2.219 -16.662 2.379 1.00 0.00 C ATOM 515 CH2 TRP A 36 -2.031 -16.554 0.994 1.00 0.00 C ATOM 0 H TRP A 36 -5.770 -14.262 3.031 1.00 0.00 H new ATOM 0 HA TRP A 36 -7.454 -15.506 5.126 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -6.328 -17.670 4.138 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -7.778 -17.017 3.403 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -7.639 -16.620 0.842 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -5.761 -16.460 -0.929 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -3.621 -16.804 3.993 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -2.947 -16.423 -0.932 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -1.358 -16.700 3.030 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -1.027 -16.509 0.598 1.00 0.00 H new ATOM 526 N CYS A 37 -4.563 -14.550 5.301 1.00 0.00 N ATOM 527 CA CYS A 37 -3.323 -14.493 6.066 1.00 0.00 C ATOM 528 C CYS A 37 -3.508 -13.678 7.342 1.00 0.00 C ATOM 529 O CYS A 37 -4.210 -12.667 7.349 1.00 0.00 O ATOM 530 CB CYS A 37 -2.203 -13.887 5.218 1.00 0.00 C ATOM 531 SG CYS A 37 -0.572 -13.951 5.995 1.00 0.00 S ATOM 0 H CYS A 37 -4.779 -13.698 4.784 1.00 0.00 H new ATOM 0 HA CYS A 37 -3.049 -15.511 6.343 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -2.160 -14.412 4.264 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -2.449 -12.848 4.999 1.00 0.00 H new ATOM 0 HG CYS A 37 0.308 -13.417 5.201 1.00 0.00 H new ATOM 537 N GLY A 38 -2.875 -14.126 8.422 1.00 0.00 N ATOM 538 CA GLY A 38 -2.985 -13.427 9.689 1.00 0.00 C ATOM 539 C GLY A 38 -2.202 -12.129 9.706 1.00 0.00 C ATOM 540 O GLY A 38 -2.766 -11.059 9.937 1.00 0.00 O ATOM 0 H GLY A 38 -2.288 -14.960 8.442 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -4.035 -13.217 9.894 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -2.627 -14.074 10.490 1.00 0.00 H new ATOM 544 N HIS A 39 -0.899 -12.222 9.461 1.00 0.00 N ATOM 545 CA HIS A 39 -0.037 -11.046 9.450 1.00 0.00 C ATOM 546 C HIS A 39 -0.769 -9.842 8.863 1.00 0.00 C ATOM 547 O HIS A 39 -0.641 -8.723 9.361 1.00 0.00 O ATOM 548 CB HIS A 39 1.233 -11.326 8.646 1.00 0.00 C ATOM 549 CG HIS A 39 2.274 -12.080 9.416 1.00 0.00 C ATOM 550 ND1 HIS A 39 2.889 -11.576 10.542 1.00 0.00 N ATOM 551 CD2 HIS A 39 2.807 -13.308 9.215 1.00 0.00 C ATOM 552 CE1 HIS A 39 3.756 -12.461 11.001 1.00 0.00 C ATOM 553 NE2 HIS A 39 3.725 -13.521 10.214 1.00 0.00 N ATOM 0 H HIS A 39 -0.417 -13.100 9.267 1.00 0.00 H new ATOM 0 HA HIS A 39 0.237 -10.817 10.480 1.00 0.00 H new ATOM 0 HB2 HIS A 39 0.971 -11.894 7.753 1.00 0.00 H new ATOM 0 HB3 HIS A 39 1.656 -10.380 8.309 1.00 0.00 H new ATOM 0 HD2 HIS A 39 2.557 -13.992 8.418 1.00 0.00 H new ATOM 0 HE1 HIS A 39 4.383 -12.338 11.872 1.00 0.00 H new ATOM 0 HE2 HIS A 39 4.291 -14.362 10.329 1.00 0.00 H new ATOM 562 N CYS A 40 -1.534 -10.080 7.804 1.00 0.00 N ATOM 563 CA CYS A 40 -2.285 -9.015 7.149 1.00 0.00 C ATOM 564 C CYS A 40 -3.372 -8.470 8.069 1.00 0.00 C ATOM 565 O CYS A 40 -3.412 -7.276 8.363 1.00 0.00 O ATOM 566 CB CYS A 40 -2.909 -9.527 5.850 1.00 0.00 C ATOM 567 SG CYS A 40 -4.346 -8.578 5.297 1.00 0.00 S ATOM 0 H CYS A 40 -1.651 -11.001 7.381 1.00 0.00 H new ATOM 0 HA CYS A 40 -1.592 -8.206 6.917 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -2.153 -9.511 5.065 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -3.205 -10.567 5.987 1.00 0.00 H new ATOM 0 HG CYS A 40 -4.461 -8.678 4.006 1.00 0.00 H new ATOM 573 N LYS A 41 -4.255 -9.355 8.521 1.00 0.00 N ATOM 574 CA LYS A 41 -5.345 -8.964 9.408 1.00 0.00 C ATOM 575 C LYS A 41 -4.866 -7.953 10.444 1.00 0.00 C ATOM 576 O LYS A 41 -5.595 -7.030 10.807 1.00 0.00 O ATOM 577 CB LYS A 41 -5.924 -10.195 10.110 1.00 0.00 C ATOM 578 CG LYS A 41 -6.460 -11.245 9.153 1.00 0.00 C ATOM 579 CD LYS A 41 -7.928 -11.013 8.836 1.00 0.00 C ATOM 580 CE LYS A 41 -8.822 -11.457 9.984 1.00 0.00 C ATOM 581 NZ LYS A 41 -9.191 -12.896 9.876 1.00 0.00 N ATOM 0 H LYS A 41 -4.237 -10.348 8.288 1.00 0.00 H new ATOM 0 HA LYS A 41 -6.123 -8.498 8.804 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -5.151 -10.644 10.733 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -6.727 -9.879 10.776 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -5.880 -11.227 8.230 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -6.333 -12.235 9.590 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -8.095 -9.955 8.631 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -8.197 -11.559 7.932 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -8.310 -11.283 10.931 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -9.727 -10.850 9.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -9.800 -13.159 10.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -9.702 -13.057 8.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -8.329 -13.478 9.891 1.00 0.00 H new ATOM 595 N ASN A 42 -3.637 -8.132 10.916 1.00 0.00 N ATOM 596 CA ASN A 42 -3.061 -7.233 11.910 1.00 0.00 C ATOM 597 C ASN A 42 -2.452 -6.003 11.244 1.00 0.00 C ATOM 598 O ASN A 42 -2.414 -4.921 11.830 1.00 0.00 O ATOM 599 CB ASN A 42 -1.995 -7.963 12.731 1.00 0.00 C ATOM 600 CG ASN A 42 -0.616 -7.858 12.110 1.00 0.00 C ATOM 601 OD1 ASN A 42 -0.094 -6.761 11.910 1.00 0.00 O ATOM 602 ND2 ASN A 42 -0.018 -9.003 11.800 1.00 0.00 N ATOM 0 H ASN A 42 -3.020 -8.891 10.626 1.00 0.00 H new ATOM 0 HA ASN A 42 -3.861 -6.905 12.574 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -1.969 -7.549 13.739 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -2.269 -9.014 12.825 1.00 0.00 H new ATOM 0 HD21 ASN A 42 0.911 -8.995 11.379 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -0.488 -9.890 11.983 1.00 0.00 H new ATOM 609 N LEU A 43 -1.977 -6.176 10.015 1.00 0.00 N ATOM 610 CA LEU A 43 -1.371 -5.081 9.268 1.00 0.00 C ATOM 611 C LEU A 43 -2.440 -4.182 8.655 1.00 0.00 C ATOM 612 O LEU A 43 -2.160 -3.052 8.255 1.00 0.00 O ATOM 613 CB LEU A 43 -0.459 -5.630 8.169 1.00 0.00 C ATOM 614 CG LEU A 43 0.146 -4.595 7.219 1.00 0.00 C ATOM 615 CD1 LEU A 43 1.170 -3.737 7.946 1.00 0.00 C ATOM 616 CD2 LEU A 43 0.779 -5.281 6.017 1.00 0.00 C ATOM 0 H LEU A 43 -2.000 -7.065 9.515 1.00 0.00 H new ATOM 0 HA LEU A 43 -0.777 -4.486 9.962 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.355 -6.180 8.641 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -1.028 -6.348 7.578 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.654 -3.946 6.863 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.590 -3.007 7.254 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.687 -3.217 8.774 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.968 -4.371 8.332 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.204 -4.530 5.352 1.00 0.00 H new ATOM 0 HD22 LEU A 43 1.567 -5.954 6.355 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.020 -5.851 5.482 1.00 0.00 H new ATOM 628 N GLU A 44 -3.666 -4.692 8.586 1.00 0.00 N ATOM 629 CA GLU A 44 -4.777 -3.934 8.023 1.00 0.00 C ATOM 630 C GLU A 44 -4.864 -2.546 8.652 1.00 0.00 C ATOM 631 O GLU A 44 -4.792 -1.523 7.972 1.00 0.00 O ATOM 632 CB GLU A 44 -6.094 -4.684 8.233 1.00 0.00 C ATOM 633 CG GLU A 44 -7.295 -3.770 8.402 1.00 0.00 C ATOM 634 CD GLU A 44 -8.613 -4.499 8.223 1.00 0.00 C ATOM 635 OE1 GLU A 44 -8.633 -5.524 7.511 1.00 0.00 O ATOM 636 OE2 GLU A 44 -9.625 -4.043 8.796 1.00 0.00 O ATOM 0 H GLU A 44 -3.914 -5.626 8.913 1.00 0.00 H new ATOM 0 HA GLU A 44 -4.599 -3.819 6.954 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -6.267 -5.343 7.382 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -6.004 -5.319 9.115 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -7.266 -3.318 9.393 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -7.233 -2.957 7.679 1.00 0.00 H new ATOM 643 N PRO A 45 -5.022 -2.510 9.983 1.00 0.00 N ATOM 644 CA PRO A 45 -5.122 -1.255 10.735 1.00 0.00 C ATOM 645 C PRO A 45 -3.800 -0.495 10.773 1.00 0.00 C ATOM 646 O PRO A 45 -3.781 0.725 10.928 1.00 0.00 O ATOM 647 CB PRO A 45 -5.516 -1.714 12.141 1.00 0.00 C ATOM 648 CG PRO A 45 -5.005 -3.110 12.241 1.00 0.00 C ATOM 649 CD PRO A 45 -5.115 -3.691 10.858 1.00 0.00 C ATOM 0 HA PRO A 45 -5.834 -0.564 10.283 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -5.073 -1.075 12.905 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -6.596 -1.677 12.281 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -3.972 -3.124 12.589 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -5.590 -3.689 12.955 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -4.315 -4.404 10.657 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -6.057 -4.221 10.719 1.00 0.00 H new ATOM 657 N GLU A 46 -2.699 -1.226 10.629 1.00 0.00 N ATOM 658 CA GLU A 46 -1.373 -0.619 10.648 1.00 0.00 C ATOM 659 C GLU A 46 -1.085 0.100 9.333 1.00 0.00 C ATOM 660 O GLU A 46 -0.357 1.092 9.302 1.00 0.00 O ATOM 661 CB GLU A 46 -0.304 -1.683 10.904 1.00 0.00 C ATOM 662 CG GLU A 46 -0.278 -2.186 12.338 1.00 0.00 C ATOM 663 CD GLU A 46 -0.356 -1.062 13.352 1.00 0.00 C ATOM 664 OE1 GLU A 46 0.527 -0.178 13.327 1.00 0.00 O ATOM 665 OE2 GLU A 46 -1.298 -1.065 14.171 1.00 0.00 O ATOM 0 H GLU A 46 -2.699 -2.238 10.498 1.00 0.00 H new ATOM 0 HA GLU A 46 -1.348 0.112 11.456 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -0.475 -2.526 10.235 1.00 0.00 H new ATOM 0 HB3 GLU A 46 0.674 -1.271 10.654 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -1.112 -2.870 12.494 1.00 0.00 H new ATOM 0 HG3 GLU A 46 0.636 -2.756 12.503 1.00 0.00 H new ATOM 672 N TRP A 47 -1.662 -0.408 8.250 1.00 0.00 N ATOM 673 CA TRP A 47 -1.467 0.185 6.931 1.00 0.00 C ATOM 674 C TRP A 47 -2.410 1.364 6.720 1.00 0.00 C ATOM 675 O TRP A 47 -2.038 2.367 6.112 1.00 0.00 O ATOM 676 CB TRP A 47 -1.690 -0.864 5.840 1.00 0.00 C ATOM 677 CG TRP A 47 -1.224 -0.420 4.486 1.00 0.00 C ATOM 678 CD1 TRP A 47 -2.007 -0.016 3.442 1.00 0.00 C ATOM 679 CD2 TRP A 47 0.130 -0.337 4.030 1.00 0.00 C ATOM 680 NE1 TRP A 47 -1.220 0.312 2.365 1.00 0.00 N ATOM 681 CE2 TRP A 47 0.094 0.125 2.700 1.00 0.00 C ATOM 682 CE3 TRP A 47 1.370 -0.606 4.617 1.00 0.00 C ATOM 683 CZ2 TRP A 47 1.251 0.322 1.949 1.00 0.00 C ATOM 684 CZ3 TRP A 47 2.516 -0.410 3.870 1.00 0.00 C ATOM 685 CH2 TRP A 47 2.451 0.051 2.548 1.00 0.00 C ATOM 0 H TRP A 47 -2.268 -1.228 8.259 1.00 0.00 H new ATOM 0 HA TRP A 47 -0.441 0.549 6.871 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -1.167 -1.780 6.114 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -2.752 -1.106 5.790 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -3.086 0.038 3.461 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -1.560 0.642 1.462 1.00 0.00 H new ATOM 0 HE3 TRP A 47 1.431 -0.960 5.635 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 1.202 0.676 0.930 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 3.479 -0.616 4.313 1.00 0.00 H new ATOM 0 HH2 TRP A 47 3.365 0.195 1.992 1.00 0.00 H new ATOM 696 N ALA A 48 -3.632 1.237 7.226 1.00 0.00 N ATOM 697 CA ALA A 48 -4.627 2.294 7.094 1.00 0.00 C ATOM 698 C ALA A 48 -4.148 3.584 7.751 1.00 0.00 C ATOM 699 O ALA A 48 -4.240 4.662 7.165 1.00 0.00 O ATOM 700 CB ALA A 48 -5.951 1.851 7.700 1.00 0.00 C ATOM 0 H ALA A 48 -3.957 0.413 7.731 1.00 0.00 H new ATOM 0 HA ALA A 48 -4.773 2.491 6.032 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -6.685 2.650 7.594 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -6.308 0.960 7.183 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -5.810 1.625 8.757 1.00 0.00 H new ATOM 706 N ALA A 49 -3.637 3.467 8.972 1.00 0.00 N ATOM 707 CA ALA A 49 -3.142 4.624 9.708 1.00 0.00 C ATOM 708 C ALA A 49 -1.933 5.241 9.013 1.00 0.00 C ATOM 709 O ALA A 49 -1.867 6.455 8.824 1.00 0.00 O ATOM 710 CB ALA A 49 -2.789 4.230 11.135 1.00 0.00 C ATOM 0 H ALA A 49 -3.555 2.582 9.473 1.00 0.00 H new ATOM 0 HA ALA A 49 -3.934 5.373 9.735 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -2.421 5.103 11.673 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -3.676 3.843 11.636 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -2.017 3.461 11.120 1.00 0.00 H new ATOM 716 N ALA A 50 -0.979 4.396 8.634 1.00 0.00 N ATOM 717 CA ALA A 50 0.226 4.859 7.958 1.00 0.00 C ATOM 718 C ALA A 50 -0.119 5.704 6.737 1.00 0.00 C ATOM 719 O ALA A 50 0.569 6.677 6.428 1.00 0.00 O ATOM 720 CB ALA A 50 1.093 3.675 7.556 1.00 0.00 C ATOM 0 H ALA A 50 -1.018 3.388 8.784 1.00 0.00 H new ATOM 0 HA ALA A 50 0.785 5.485 8.653 1.00 0.00 H new ATOM 0 HB1 ALA A 50 1.990 4.035 7.052 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.378 3.114 8.446 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.534 3.027 6.882 1.00 0.00 H new ATOM 726 N ALA A 51 -1.188 5.325 6.044 1.00 0.00 N ATOM 727 CA ALA A 51 -1.625 6.049 4.857 1.00 0.00 C ATOM 728 C ALA A 51 -1.944 7.504 5.187 1.00 0.00 C ATOM 729 O ALA A 51 -1.519 8.418 4.480 1.00 0.00 O ATOM 730 CB ALA A 51 -2.838 5.368 4.240 1.00 0.00 C ATOM 0 H ALA A 51 -1.767 4.521 6.284 1.00 0.00 H new ATOM 0 HA ALA A 51 -0.809 6.038 4.135 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -3.154 5.919 3.354 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -2.578 4.347 3.959 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -3.652 5.349 4.965 1.00 0.00 H new ATOM 736 N SER A 52 -2.694 7.711 6.264 1.00 0.00 N ATOM 737 CA SER A 52 -3.073 9.054 6.685 1.00 0.00 C ATOM 738 C SER A 52 -1.879 9.795 7.279 1.00 0.00 C ATOM 739 O SER A 52 -1.751 11.009 7.128 1.00 0.00 O ATOM 740 CB SER A 52 -4.209 8.990 7.709 1.00 0.00 C ATOM 741 OG SER A 52 -5.472 8.951 7.068 1.00 0.00 O ATOM 0 H SER A 52 -3.051 6.965 6.861 1.00 0.00 H new ATOM 0 HA SER A 52 -3.416 9.599 5.806 1.00 0.00 H new ATOM 0 HB2 SER A 52 -4.088 8.106 8.336 1.00 0.00 H new ATOM 0 HB3 SER A 52 -4.159 9.857 8.367 1.00 0.00 H new ATOM 0 HG SER A 52 -6.181 8.909 7.744 1.00 0.00 H new ATOM 747 N GLU A 53 -1.007 9.053 7.955 1.00 0.00 N ATOM 748 CA GLU A 53 0.176 9.639 8.573 1.00 0.00 C ATOM 749 C GLU A 53 1.227 9.981 7.520 1.00 0.00 C ATOM 750 O GLU A 53 2.035 10.891 7.707 1.00 0.00 O ATOM 751 CB GLU A 53 0.768 8.678 9.606 1.00 0.00 C ATOM 752 CG GLU A 53 2.084 9.155 10.198 1.00 0.00 C ATOM 753 CD GLU A 53 1.889 10.107 11.362 1.00 0.00 C ATOM 754 OE1 GLU A 53 1.043 9.813 12.233 1.00 0.00 O ATOM 755 OE2 GLU A 53 2.581 11.145 11.403 1.00 0.00 O ATOM 0 H GLU A 53 -1.098 8.046 8.088 1.00 0.00 H new ATOM 0 HA GLU A 53 -0.125 10.559 9.074 1.00 0.00 H new ATOM 0 HB2 GLU A 53 0.048 8.535 10.411 1.00 0.00 H new ATOM 0 HB3 GLU A 53 0.921 7.705 9.139 1.00 0.00 H new ATOM 0 HG2 GLU A 53 2.662 8.293 10.531 1.00 0.00 H new ATOM 0 HG3 GLU A 53 2.669 9.650 9.423 1.00 0.00 H new ATOM 762 N VAL A 54 1.208 9.245 6.413 1.00 0.00 N ATOM 763 CA VAL A 54 2.158 9.470 5.330 1.00 0.00 C ATOM 764 C VAL A 54 1.688 10.593 4.412 1.00 0.00 C ATOM 765 O VAL A 54 2.493 11.380 3.913 1.00 0.00 O ATOM 766 CB VAL A 54 2.369 8.193 4.495 1.00 0.00 C ATOM 767 CG1 VAL A 54 3.155 8.506 3.231 1.00 0.00 C ATOM 768 CG2 VAL A 54 3.073 7.127 5.320 1.00 0.00 C ATOM 0 H VAL A 54 0.546 8.488 6.243 1.00 0.00 H new ATOM 0 HA VAL A 54 3.104 9.754 5.791 1.00 0.00 H new ATOM 0 HB VAL A 54 1.393 7.806 4.201 1.00 0.00 H new ATOM 0 HG11 VAL A 54 3.295 7.592 2.654 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.607 9.233 2.632 1.00 0.00 H new ATOM 0 HG13 VAL A 54 4.128 8.917 3.500 1.00 0.00 H new ATOM 0 HG21 VAL A 54 3.214 6.232 4.714 1.00 0.00 H new ATOM 0 HG22 VAL A 54 4.044 7.501 5.646 1.00 0.00 H new ATOM 0 HG23 VAL A 54 2.467 6.883 6.192 1.00 0.00 H new ATOM 778 N LYS A 55 0.380 10.662 4.193 1.00 0.00 N ATOM 779 CA LYS A 55 -0.199 11.690 3.336 1.00 0.00 C ATOM 780 C LYS A 55 -0.203 13.045 4.037 1.00 0.00 C ATOM 781 O LYS A 55 -0.319 14.087 3.393 1.00 0.00 O ATOM 782 CB LYS A 55 -1.627 11.307 2.938 1.00 0.00 C ATOM 783 CG LYS A 55 -2.678 11.750 3.940 1.00 0.00 C ATOM 784 CD LYS A 55 -4.084 11.540 3.404 1.00 0.00 C ATOM 785 CE LYS A 55 -5.111 12.317 4.214 1.00 0.00 C ATOM 786 NZ LYS A 55 -6.496 12.086 3.719 1.00 0.00 N ATOM 0 H LYS A 55 -0.300 10.018 4.597 1.00 0.00 H new ATOM 0 HA LYS A 55 0.415 11.766 2.438 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -1.855 11.747 1.967 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -1.684 10.225 2.819 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -2.555 11.192 4.868 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -2.533 12.803 4.179 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -4.128 11.855 2.361 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -4.329 10.478 3.427 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -5.046 12.023 5.262 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -4.881 13.381 4.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -7.167 12.632 4.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -6.565 12.390 2.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -6.725 11.074 3.788 1.00 0.00 H new ATOM 800 N GLU A 56 -0.073 13.022 5.360 1.00 0.00 N ATOM 801 CA GLU A 56 -0.060 14.249 6.147 1.00 0.00 C ATOM 802 C GLU A 56 1.360 14.788 6.292 1.00 0.00 C ATOM 803 O GLU A 56 1.566 15.995 6.420 1.00 0.00 O ATOM 804 CB GLU A 56 -0.667 14.001 7.530 1.00 0.00 C ATOM 805 CG GLU A 56 0.351 13.570 8.572 1.00 0.00 C ATOM 806 CD GLU A 56 -0.242 13.485 9.966 1.00 0.00 C ATOM 807 OE1 GLU A 56 -0.717 14.522 10.473 1.00 0.00 O ATOM 808 OE2 GLU A 56 -0.231 12.380 10.548 1.00 0.00 O ATOM 0 H GLU A 56 0.025 12.168 5.909 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.660 14.992 5.623 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -1.159 14.912 7.870 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -1.437 13.234 7.447 1.00 0.00 H new ATOM 0 HG2 GLU A 56 0.760 12.598 8.295 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.182 14.276 8.577 1.00 0.00 H new ATOM 815 N GLN A 57 2.334 13.884 6.272 1.00 0.00 N ATOM 816 CA GLN A 57 3.735 14.269 6.402 1.00 0.00 C ATOM 817 C GLN A 57 4.366 14.499 5.033 1.00 0.00 C ATOM 818 O GLN A 57 5.311 15.276 4.895 1.00 0.00 O ATOM 819 CB GLN A 57 4.512 13.192 7.161 1.00 0.00 C ATOM 820 CG GLN A 57 4.189 13.140 8.645 1.00 0.00 C ATOM 821 CD GLN A 57 5.069 12.164 9.401 1.00 0.00 C ATOM 822 OE1 GLN A 57 5.104 10.919 8.940 1.00 0.00 O flip ATOM 823 NE2 GLN A 57 5.711 12.525 10.388 1.00 0.00 N flip ATOM 0 H GLN A 57 2.180 12.881 6.167 1.00 0.00 H new ATOM 0 HA GLN A 57 3.779 15.203 6.963 1.00 0.00 H new ATOM 0 HB2 GLN A 57 4.297 12.220 6.717 1.00 0.00 H new ATOM 0 HB3 GLN A 57 5.580 13.371 7.036 1.00 0.00 H new ATOM 0 HG2 GLN A 57 4.306 14.135 9.073 1.00 0.00 H new ATOM 0 HG3 GLN A 57 3.144 12.858 8.776 1.00 0.00 H new ATOM 0 HE21 GLN A 57 5.654 13.492 10.707 1.00 0.00 H new ATOM 0 HE22 GLN A 57 6.299 11.857 10.886 1.00 0.00 H new ATOM 832 N THR A 58 3.838 13.817 4.021 1.00 0.00 N ATOM 833 CA THR A 58 4.350 13.946 2.663 1.00 0.00 C ATOM 834 C THR A 58 3.439 14.824 1.812 1.00 0.00 C ATOM 835 O THR A 58 3.612 14.923 0.597 1.00 0.00 O ATOM 836 CB THR A 58 4.497 12.570 1.985 1.00 0.00 C ATOM 837 OG1 THR A 58 3.208 12.067 1.615 1.00 0.00 O ATOM 838 CG2 THR A 58 5.187 11.581 2.912 1.00 0.00 C ATOM 0 H THR A 58 3.056 13.170 4.117 1.00 0.00 H new ATOM 0 HA THR A 58 5.332 14.413 2.739 1.00 0.00 H new ATOM 0 HB THR A 58 5.109 12.693 1.091 1.00 0.00 H new ATOM 0 HG1 THR A 58 2.621 12.063 2.400 1.00 0.00 H new ATOM 0 HG21 THR A 58 5.279 10.617 2.412 1.00 0.00 H new ATOM 0 HG22 THR A 58 6.179 11.954 3.168 1.00 0.00 H new ATOM 0 HG23 THR A 58 4.598 11.463 3.821 1.00 0.00 H new ATOM 846 N LYS A 59 2.469 15.462 2.458 1.00 0.00 N ATOM 847 CA LYS A 59 1.531 16.335 1.762 1.00 0.00 C ATOM 848 C LYS A 59 0.805 15.579 0.653 1.00 0.00 C ATOM 849 O LYS A 59 0.493 16.143 -0.394 1.00 0.00 O ATOM 850 CB LYS A 59 2.265 17.542 1.175 1.00 0.00 C ATOM 851 CG LYS A 59 2.635 18.591 2.209 1.00 0.00 C ATOM 852 CD LYS A 59 4.020 18.345 2.783 1.00 0.00 C ATOM 853 CE LYS A 59 5.091 19.073 1.986 1.00 0.00 C ATOM 854 NZ LYS A 59 6.263 19.433 2.832 1.00 0.00 N ATOM 0 H LYS A 59 2.312 15.391 3.463 1.00 0.00 H new ATOM 0 HA LYS A 59 0.793 16.683 2.484 1.00 0.00 H new ATOM 0 HB2 LYS A 59 3.172 17.198 0.678 1.00 0.00 H new ATOM 0 HB3 LYS A 59 1.638 18.002 0.411 1.00 0.00 H new ATOM 0 HG2 LYS A 59 2.600 19.581 1.753 1.00 0.00 H new ATOM 0 HG3 LYS A 59 1.900 18.584 3.014 1.00 0.00 H new ATOM 0 HD2 LYS A 59 4.049 18.677 3.821 1.00 0.00 H new ATOM 0 HD3 LYS A 59 4.230 17.275 2.784 1.00 0.00 H new ATOM 0 HE2 LYS A 59 5.420 18.443 1.159 1.00 0.00 H new ATOM 0 HE3 LYS A 59 4.667 19.977 1.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 6.971 19.928 2.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 5.954 20.055 3.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 6.683 18.568 3.229 1.00 0.00 H new ATOM 868 N GLY A 60 0.537 14.299 0.893 1.00 0.00 N ATOM 869 CA GLY A 60 -0.152 13.488 -0.094 1.00 0.00 C ATOM 870 C GLY A 60 0.782 12.964 -1.167 1.00 0.00 C ATOM 871 O GLY A 60 0.380 12.169 -2.017 1.00 0.00 O ATOM 0 H GLY A 60 0.785 13.809 1.753 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -0.636 12.648 0.404 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -0.940 14.079 -0.560 1.00 0.00 H new ATOM 875 N LYS A 61 2.033 13.411 -1.131 1.00 0.00 N ATOM 876 CA LYS A 61 3.027 12.983 -2.108 1.00 0.00 C ATOM 877 C LYS A 61 3.116 11.461 -2.163 1.00 0.00 C ATOM 878 O LYS A 61 2.816 10.849 -3.187 1.00 0.00 O ATOM 879 CB LYS A 61 4.397 13.573 -1.764 1.00 0.00 C ATOM 880 CG LYS A 61 5.518 13.065 -2.653 1.00 0.00 C ATOM 881 CD LYS A 61 5.251 13.373 -4.117 1.00 0.00 C ATOM 882 CE LYS A 61 6.404 12.920 -5.001 1.00 0.00 C ATOM 883 NZ LYS A 61 6.384 13.597 -6.327 1.00 0.00 N ATOM 0 H LYS A 61 2.382 14.070 -0.435 1.00 0.00 H new ATOM 0 HA LYS A 61 2.717 13.347 -3.088 1.00 0.00 H new ATOM 0 HB2 LYS A 61 4.346 14.659 -1.843 1.00 0.00 H new ATOM 0 HB3 LYS A 61 4.634 13.340 -0.726 1.00 0.00 H new ATOM 0 HG2 LYS A 61 6.460 13.522 -2.350 1.00 0.00 H new ATOM 0 HG3 LYS A 61 5.629 11.989 -2.521 1.00 0.00 H new ATOM 0 HD2 LYS A 61 4.333 12.878 -4.433 1.00 0.00 H new ATOM 0 HD3 LYS A 61 5.094 14.444 -4.242 1.00 0.00 H new ATOM 0 HE2 LYS A 61 7.349 13.129 -4.501 1.00 0.00 H new ATOM 0 HE3 LYS A 61 6.351 11.841 -5.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 7.185 13.262 -6.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 5.493 13.377 -6.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 6.461 14.625 -6.193 1.00 0.00 H new ATOM 897 N VAL A 62 3.530 10.857 -1.053 1.00 0.00 N ATOM 898 CA VAL A 62 3.656 9.406 -0.975 1.00 0.00 C ATOM 899 C VAL A 62 2.314 8.755 -0.657 1.00 0.00 C ATOM 900 O VAL A 62 1.794 8.887 0.451 1.00 0.00 O ATOM 901 CB VAL A 62 4.683 8.989 0.095 1.00 0.00 C ATOM 902 CG1 VAL A 62 5.016 7.511 -0.033 1.00 0.00 C ATOM 903 CG2 VAL A 62 5.940 9.839 -0.015 1.00 0.00 C ATOM 0 H VAL A 62 3.784 11.349 -0.196 1.00 0.00 H new ATOM 0 HA VAL A 62 4.000 9.064 -1.951 1.00 0.00 H new ATOM 0 HB VAL A 62 4.245 9.154 1.079 1.00 0.00 H new ATOM 0 HG11 VAL A 62 5.743 7.234 0.731 1.00 0.00 H new ATOM 0 HG12 VAL A 62 4.109 6.921 0.099 1.00 0.00 H new ATOM 0 HG13 VAL A 62 5.435 7.317 -1.020 1.00 0.00 H new ATOM 0 HG21 VAL A 62 6.655 9.531 0.748 1.00 0.00 H new ATOM 0 HG22 VAL A 62 6.383 9.707 -1.002 1.00 0.00 H new ATOM 0 HG23 VAL A 62 5.683 10.888 0.130 1.00 0.00 H new ATOM 913 N LYS A 63 1.758 8.050 -1.637 1.00 0.00 N ATOM 914 CA LYS A 63 0.478 7.375 -1.462 1.00 0.00 C ATOM 915 C LYS A 63 0.681 5.927 -1.029 1.00 0.00 C ATOM 916 O LYS A 63 1.741 5.343 -1.256 1.00 0.00 O ATOM 917 CB LYS A 63 -0.327 7.421 -2.763 1.00 0.00 C ATOM 918 CG LYS A 63 -0.714 8.826 -3.190 1.00 0.00 C ATOM 919 CD LYS A 63 -1.310 8.840 -4.588 1.00 0.00 C ATOM 920 CE LYS A 63 -2.305 9.978 -4.757 1.00 0.00 C ATOM 921 NZ LYS A 63 -1.625 11.271 -5.046 1.00 0.00 N ATOM 0 H LYS A 63 2.174 7.932 -2.561 1.00 0.00 H new ATOM 0 HA LYS A 63 -0.075 7.895 -0.680 1.00 0.00 H new ATOM 0 HB2 LYS A 63 0.257 6.957 -3.558 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -1.232 6.825 -2.642 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -1.434 9.237 -2.482 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.164 9.471 -3.162 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -0.512 8.940 -5.324 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -1.806 7.889 -4.783 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -2.994 9.741 -5.568 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -2.902 10.076 -3.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -2.337 12.021 -5.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -0.987 11.511 -4.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -1.076 11.186 -5.925 1.00 0.00 H new ATOM 935 N LEU A 64 -0.342 5.352 -0.405 1.00 0.00 N ATOM 936 CA LEU A 64 -0.276 3.971 0.060 1.00 0.00 C ATOM 937 C LEU A 64 -1.486 3.176 -0.421 1.00 0.00 C ATOM 938 O LEU A 64 -2.628 3.530 -0.132 1.00 0.00 O ATOM 939 CB LEU A 64 -0.198 3.928 1.587 1.00 0.00 C ATOM 940 CG LEU A 64 1.207 3.955 2.189 1.00 0.00 C ATOM 941 CD1 LEU A 64 1.828 5.334 2.034 1.00 0.00 C ATOM 942 CD2 LEU A 64 1.168 3.546 3.654 1.00 0.00 C ATOM 0 H LEU A 64 -1.227 5.821 -0.210 1.00 0.00 H new ATOM 0 HA LEU A 64 0.623 3.517 -0.356 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.758 4.775 1.983 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.702 3.025 1.931 1.00 0.00 H new ATOM 0 HG LEU A 64 1.826 3.238 1.650 1.00 0.00 H new ATOM 0 HD11 LEU A 64 2.828 5.334 2.468 1.00 0.00 H new ATOM 0 HD12 LEU A 64 1.892 5.587 0.976 1.00 0.00 H new ATOM 0 HD13 LEU A 64 1.210 6.071 2.547 1.00 0.00 H new ATOM 0 HD21 LEU A 64 2.177 3.571 4.066 1.00 0.00 H new ATOM 0 HD22 LEU A 64 0.533 4.237 4.208 1.00 0.00 H new ATOM 0 HD23 LEU A 64 0.766 2.536 3.739 1.00 0.00 H new ATOM 954 N ALA A 65 -1.226 2.100 -1.156 1.00 0.00 N ATOM 955 CA ALA A 65 -2.294 1.253 -1.674 1.00 0.00 C ATOM 956 C ALA A 65 -2.048 -0.212 -1.329 1.00 0.00 C ATOM 957 O ALA A 65 -0.983 -0.571 -0.827 1.00 0.00 O ATOM 958 CB ALA A 65 -2.423 1.428 -3.180 1.00 0.00 C ATOM 0 H ALA A 65 -0.286 1.794 -1.406 1.00 0.00 H new ATOM 0 HA ALA A 65 -3.228 1.559 -1.203 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -3.224 0.790 -3.553 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -2.653 2.469 -3.407 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -1.485 1.151 -3.660 1.00 0.00 H new ATOM 964 N ALA A 66 -3.039 -1.054 -1.602 1.00 0.00 N ATOM 965 CA ALA A 66 -2.929 -2.480 -1.322 1.00 0.00 C ATOM 966 C ALA A 66 -3.367 -3.311 -2.524 1.00 0.00 C ATOM 967 O ALA A 66 -4.140 -2.848 -3.363 1.00 0.00 O ATOM 968 CB ALA A 66 -3.757 -2.843 -0.098 1.00 0.00 C ATOM 0 H ALA A 66 -3.927 -0.773 -2.017 1.00 0.00 H new ATOM 0 HA ALA A 66 -1.882 -2.705 -1.119 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -3.666 -3.911 0.099 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -3.397 -2.282 0.764 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -4.803 -2.596 -0.280 1.00 0.00 H new ATOM 974 N VAL A 67 -2.868 -4.540 -2.601 1.00 0.00 N ATOM 975 CA VAL A 67 -3.209 -5.436 -3.700 1.00 0.00 C ATOM 976 C VAL A 67 -3.390 -6.867 -3.207 1.00 0.00 C ATOM 977 O VAL A 67 -2.545 -7.397 -2.484 1.00 0.00 O ATOM 978 CB VAL A 67 -2.127 -5.416 -4.796 1.00 0.00 C ATOM 979 CG1 VAL A 67 -2.495 -6.363 -5.928 1.00 0.00 C ATOM 980 CG2 VAL A 67 -1.925 -4.001 -5.319 1.00 0.00 C ATOM 0 H VAL A 67 -2.226 -4.938 -1.916 1.00 0.00 H new ATOM 0 HA VAL A 67 -4.149 -5.078 -4.120 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.188 -5.756 -4.361 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -1.719 -6.335 -6.693 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -2.585 -7.377 -5.539 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -3.445 -6.056 -6.365 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -1.157 -4.005 -6.093 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -2.861 -3.631 -5.738 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -1.612 -3.352 -4.501 1.00 0.00 H new ATOM 990 N ASP A 68 -4.496 -7.488 -3.602 1.00 0.00 N ATOM 991 CA ASP A 68 -4.788 -8.859 -3.201 1.00 0.00 C ATOM 992 C ASP A 68 -4.012 -9.853 -4.060 1.00 0.00 C ATOM 993 O ASP A 68 -4.359 -10.092 -5.216 1.00 0.00 O ATOM 994 CB ASP A 68 -6.288 -9.136 -3.309 1.00 0.00 C ATOM 995 CG ASP A 68 -7.103 -8.294 -2.347 1.00 0.00 C ATOM 996 OD1 ASP A 68 -7.024 -7.050 -2.433 1.00 0.00 O ATOM 997 OD2 ASP A 68 -7.820 -8.878 -1.508 1.00 0.00 O ATOM 0 H ASP A 68 -5.205 -7.063 -4.200 1.00 0.00 H new ATOM 0 HA ASP A 68 -4.477 -8.982 -2.163 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -6.618 -8.939 -4.329 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -6.475 -10.192 -3.111 1.00 0.00 H new ATOM 1002 N ALA A 69 -2.960 -10.428 -3.486 1.00 0.00 N ATOM 1003 CA ALA A 69 -2.135 -11.396 -4.199 1.00 0.00 C ATOM 1004 C ALA A 69 -2.954 -12.613 -4.615 1.00 0.00 C ATOM 1005 O ALA A 69 -2.484 -13.461 -5.374 1.00 0.00 O ATOM 1006 CB ALA A 69 -0.956 -11.820 -3.336 1.00 0.00 C ATOM 0 H ALA A 69 -2.659 -10.240 -2.530 1.00 0.00 H new ATOM 0 HA ALA A 69 -1.756 -10.919 -5.103 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.348 -12.543 -3.880 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -0.351 -10.947 -3.093 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -1.323 -12.275 -2.416 1.00 0.00 H new ATOM 1012 N THR A 70 -4.182 -12.695 -4.112 1.00 0.00 N ATOM 1013 CA THR A 70 -5.065 -13.810 -4.430 1.00 0.00 C ATOM 1014 C THR A 70 -5.798 -13.573 -5.745 1.00 0.00 C ATOM 1015 O THR A 70 -6.208 -14.519 -6.418 1.00 0.00 O ATOM 1016 CB THR A 70 -6.100 -14.042 -3.313 1.00 0.00 C ATOM 1017 OG1 THR A 70 -7.027 -12.951 -3.269 1.00 0.00 O ATOM 1018 CG2 THR A 70 -5.416 -14.188 -1.962 1.00 0.00 C ATOM 0 H THR A 70 -4.587 -12.002 -3.483 1.00 0.00 H new ATOM 0 HA THR A 70 -4.436 -14.695 -4.523 1.00 0.00 H new ATOM 0 HB THR A 70 -6.636 -14.965 -3.532 1.00 0.00 H new ATOM 0 HG1 THR A 70 -7.771 -13.178 -2.672 1.00 0.00 H new ATOM 0 HG21 THR A 70 -6.167 -14.351 -1.189 1.00 0.00 H new ATOM 0 HG22 THR A 70 -4.734 -15.038 -1.990 1.00 0.00 H new ATOM 0 HG23 THR A 70 -4.856 -13.280 -1.738 1.00 0.00 H new ATOM 1026 N VAL A 71 -5.959 -12.304 -6.107 1.00 0.00 N ATOM 1027 CA VAL A 71 -6.642 -11.943 -7.344 1.00 0.00 C ATOM 1028 C VAL A 71 -5.675 -11.315 -8.342 1.00 0.00 C ATOM 1029 O VAL A 71 -5.931 -11.302 -9.545 1.00 0.00 O ATOM 1030 CB VAL A 71 -7.799 -10.961 -7.080 1.00 0.00 C ATOM 1031 CG1 VAL A 71 -7.261 -9.576 -6.756 1.00 0.00 C ATOM 1032 CG2 VAL A 71 -8.737 -10.911 -8.277 1.00 0.00 C ATOM 0 H VAL A 71 -5.626 -11.509 -5.562 1.00 0.00 H new ATOM 0 HA VAL A 71 -7.046 -12.864 -7.764 1.00 0.00 H new ATOM 0 HB VAL A 71 -8.364 -11.315 -6.218 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -8.093 -8.896 -6.573 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -6.633 -9.629 -5.867 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -6.671 -9.209 -7.596 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -9.549 -10.213 -8.074 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -8.186 -10.581 -9.158 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -9.149 -11.904 -8.458 1.00 0.00 H new ATOM 1042 N ASN A 72 -4.562 -10.796 -7.833 1.00 0.00 N ATOM 1043 CA ASN A 72 -3.556 -10.167 -8.680 1.00 0.00 C ATOM 1044 C ASN A 72 -2.433 -11.146 -9.011 1.00 0.00 C ATOM 1045 O ASN A 72 -1.670 -11.549 -8.134 1.00 0.00 O ATOM 1046 CB ASN A 72 -2.980 -8.928 -7.989 1.00 0.00 C ATOM 1047 CG ASN A 72 -3.757 -7.669 -8.320 1.00 0.00 C ATOM 1048 OD1 ASN A 72 -3.285 -6.813 -9.069 1.00 0.00 O ATOM 1049 ND2 ASN A 72 -4.955 -7.549 -7.760 1.00 0.00 N ATOM 0 H ASN A 72 -4.335 -10.799 -6.839 1.00 0.00 H new ATOM 0 HA ASN A 72 -4.037 -9.866 -9.610 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -2.985 -9.082 -6.910 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -1.940 -8.799 -8.288 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -5.524 -6.723 -7.944 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -5.307 -8.283 -7.146 1.00 0.00 H new ATOM 1056 N GLN A 73 -2.340 -11.522 -10.282 1.00 0.00 N ATOM 1057 CA GLN A 73 -1.311 -12.454 -10.729 1.00 0.00 C ATOM 1058 C GLN A 73 -0.339 -11.773 -11.686 1.00 0.00 C ATOM 1059 O GLN A 73 0.857 -12.065 -11.684 1.00 0.00 O ATOM 1060 CB GLN A 73 -1.951 -13.666 -11.409 1.00 0.00 C ATOM 1061 CG GLN A 73 -2.850 -14.476 -10.489 1.00 0.00 C ATOM 1062 CD GLN A 73 -2.075 -15.455 -9.630 1.00 0.00 C ATOM 1063 OE1 GLN A 73 -1.020 -15.949 -10.029 1.00 0.00 O ATOM 1064 NE2 GLN A 73 -2.595 -15.741 -8.442 1.00 0.00 N ATOM 0 H GLN A 73 -2.964 -11.196 -11.020 1.00 0.00 H new ATOM 0 HA GLN A 73 -0.755 -12.790 -9.854 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -2.533 -13.326 -12.265 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -1.164 -14.313 -11.796 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -3.410 -13.798 -9.845 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -3.579 -15.022 -11.088 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -3.472 -15.308 -8.152 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -2.118 -16.393 -7.820 1.00 0.00 H new ATOM 1073 N VAL A 74 -0.860 -10.864 -12.504 1.00 0.00 N ATOM 1074 CA VAL A 74 -0.037 -10.141 -13.467 1.00 0.00 C ATOM 1075 C VAL A 74 1.125 -9.436 -12.776 1.00 0.00 C ATOM 1076 O VAL A 74 2.235 -9.381 -13.306 1.00 0.00 O ATOM 1077 CB VAL A 74 -0.866 -9.101 -14.243 1.00 0.00 C ATOM 1078 CG1 VAL A 74 -0.011 -8.418 -15.300 1.00 0.00 C ATOM 1079 CG2 VAL A 74 -2.086 -9.755 -14.874 1.00 0.00 C ATOM 0 H VAL A 74 -1.848 -10.611 -12.519 1.00 0.00 H new ATOM 0 HA VAL A 74 0.354 -10.879 -14.167 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.211 -8.341 -13.542 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.614 -7.686 -15.838 1.00 0.00 H new ATOM 0 HG12 VAL A 74 0.828 -7.914 -14.820 1.00 0.00 H new ATOM 0 HG13 VAL A 74 0.366 -9.163 -16.000 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -2.660 -9.005 -15.418 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -1.765 -10.536 -15.563 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -2.709 -10.193 -14.094 1.00 0.00 H new ATOM 1089 N LEU A 75 0.862 -8.898 -11.591 1.00 0.00 N ATOM 1090 CA LEU A 75 1.887 -8.196 -10.826 1.00 0.00 C ATOM 1091 C LEU A 75 2.629 -9.155 -9.900 1.00 0.00 C ATOM 1092 O LEU A 75 3.858 -9.219 -9.913 1.00 0.00 O ATOM 1093 CB LEU A 75 1.257 -7.066 -10.009 1.00 0.00 C ATOM 1094 CG LEU A 75 0.218 -6.211 -10.735 1.00 0.00 C ATOM 1095 CD1 LEU A 75 -0.539 -5.337 -9.748 1.00 0.00 C ATOM 1096 CD2 LEU A 75 0.884 -5.357 -11.805 1.00 0.00 C ATOM 0 H LEU A 75 -0.052 -8.934 -11.139 1.00 0.00 H new ATOM 0 HA LEU A 75 2.604 -7.772 -11.530 1.00 0.00 H new ATOM 0 HB2 LEU A 75 0.788 -7.501 -9.127 1.00 0.00 H new ATOM 0 HB3 LEU A 75 2.054 -6.412 -9.656 1.00 0.00 H new ATOM 0 HG LEU A 75 -0.496 -6.876 -11.221 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -1.274 -4.736 -10.283 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -1.048 -5.968 -9.019 1.00 0.00 H new ATOM 0 HD13 LEU A 75 0.161 -4.680 -9.233 1.00 0.00 H new ATOM 0 HD21 LEU A 75 0.130 -4.755 -12.312 1.00 0.00 H new ATOM 0 HD22 LEU A 75 1.620 -4.701 -11.341 1.00 0.00 H new ATOM 0 HD23 LEU A 75 1.380 -6.003 -12.530 1.00 0.00 H new ATOM 1108 N ALA A 76 1.873 -9.900 -9.100 1.00 0.00 N ATOM 1109 CA ALA A 76 2.459 -10.859 -8.172 1.00 0.00 C ATOM 1110 C ALA A 76 3.480 -11.749 -8.873 1.00 0.00 C ATOM 1111 O ALA A 76 4.538 -12.049 -8.320 1.00 0.00 O ATOM 1112 CB ALA A 76 1.369 -11.706 -7.531 1.00 0.00 C ATOM 0 H ALA A 76 0.854 -9.858 -9.076 1.00 0.00 H new ATOM 0 HA ALA A 76 2.978 -10.302 -7.392 1.00 0.00 H new ATOM 0 HB1 ALA A 76 1.821 -12.418 -6.840 1.00 0.00 H new ATOM 0 HB2 ALA A 76 0.679 -11.061 -6.987 1.00 0.00 H new ATOM 0 HB3 ALA A 76 0.826 -12.247 -8.306 1.00 0.00 H new ATOM 1118 N SER A 77 3.155 -12.167 -10.092 1.00 0.00 N ATOM 1119 CA SER A 77 4.043 -13.027 -10.867 1.00 0.00 C ATOM 1120 C SER A 77 5.203 -12.225 -11.449 1.00 0.00 C ATOM 1121 O SER A 77 6.243 -12.783 -11.799 1.00 0.00 O ATOM 1122 CB SER A 77 3.267 -13.714 -11.992 1.00 0.00 C ATOM 1123 OG SER A 77 4.096 -14.615 -12.706 1.00 0.00 O ATOM 0 H SER A 77 2.284 -11.925 -10.564 1.00 0.00 H new ATOM 0 HA SER A 77 4.449 -13.787 -10.199 1.00 0.00 H new ATOM 0 HB2 SER A 77 2.415 -14.251 -11.575 1.00 0.00 H new ATOM 0 HB3 SER A 77 2.868 -12.963 -12.674 1.00 0.00 H new ATOM 0 HG SER A 77 3.577 -15.043 -13.419 1.00 0.00 H new ATOM 1129 N ARG A 78 5.016 -10.913 -11.550 1.00 0.00 N ATOM 1130 CA ARG A 78 6.045 -10.034 -12.091 1.00 0.00 C ATOM 1131 C ARG A 78 7.228 -9.928 -11.133 1.00 0.00 C ATOM 1132 O ARG A 78 8.385 -9.996 -11.550 1.00 0.00 O ATOM 1133 CB ARG A 78 5.468 -8.643 -12.360 1.00 0.00 C ATOM 1134 CG ARG A 78 6.436 -7.708 -13.067 1.00 0.00 C ATOM 1135 CD ARG A 78 5.908 -6.282 -13.102 1.00 0.00 C ATOM 1136 NE ARG A 78 6.612 -5.462 -14.084 1.00 0.00 N ATOM 1137 CZ ARG A 78 7.880 -5.086 -13.954 1.00 0.00 C ATOM 1138 NH1 ARG A 78 8.578 -5.455 -12.889 1.00 0.00 N ATOM 1139 NH2 ARG A 78 8.451 -4.339 -14.890 1.00 0.00 N ATOM 0 H ARG A 78 4.161 -10.436 -11.264 1.00 0.00 H new ATOM 0 HA ARG A 78 6.396 -10.462 -13.030 1.00 0.00 H new ATOM 0 HB2 ARG A 78 4.566 -8.744 -12.964 1.00 0.00 H new ATOM 0 HB3 ARG A 78 5.168 -8.194 -11.413 1.00 0.00 H new ATOM 0 HG2 ARG A 78 7.400 -7.728 -12.558 1.00 0.00 H new ATOM 0 HG3 ARG A 78 6.605 -8.060 -14.085 1.00 0.00 H new ATOM 0 HD2 ARG A 78 4.844 -6.295 -13.337 1.00 0.00 H new ATOM 0 HD3 ARG A 78 6.011 -5.833 -12.114 1.00 0.00 H new ATOM 0 HE ARG A 78 6.103 -5.161 -14.915 1.00 0.00 H new ATOM 0 HH11 ARG A 78 8.142 -6.029 -12.167 1.00 0.00 H new ATOM 0 HH12 ARG A 78 9.551 -5.165 -12.791 1.00 0.00 H new ATOM 0 HH21 ARG A 78 7.917 -4.053 -15.710 1.00 0.00 H new ATOM 0 HH22 ARG A 78 9.424 -4.051 -14.789 1.00 0.00 H new ATOM 1153 N TYR A 79 6.931 -9.762 -9.849 1.00 0.00 N ATOM 1154 CA TYR A 79 7.969 -9.644 -8.833 1.00 0.00 C ATOM 1155 C TYR A 79 8.108 -10.942 -8.043 1.00 0.00 C ATOM 1156 O TYR A 79 9.126 -11.182 -7.395 1.00 0.00 O ATOM 1157 CB TYR A 79 7.654 -8.487 -7.883 1.00 0.00 C ATOM 1158 CG TYR A 79 7.200 -7.230 -8.590 1.00 0.00 C ATOM 1159 CD1 TYR A 79 5.871 -7.057 -8.956 1.00 0.00 C ATOM 1160 CD2 TYR A 79 8.100 -6.215 -8.892 1.00 0.00 C ATOM 1161 CE1 TYR A 79 5.452 -5.910 -9.603 1.00 0.00 C ATOM 1162 CE2 TYR A 79 7.689 -5.065 -9.537 1.00 0.00 C ATOM 1163 CZ TYR A 79 6.364 -4.917 -9.891 1.00 0.00 C ATOM 1164 OH TYR A 79 5.951 -3.773 -10.534 1.00 0.00 O ATOM 0 H TYR A 79 5.979 -9.706 -9.487 1.00 0.00 H new ATOM 0 HA TYR A 79 8.914 -9.444 -9.338 1.00 0.00 H new ATOM 0 HB2 TYR A 79 6.878 -8.802 -7.185 1.00 0.00 H new ATOM 0 HB3 TYR A 79 8.542 -8.261 -7.292 1.00 0.00 H new ATOM 0 HD1 TYR A 79 5.153 -7.832 -8.731 1.00 0.00 H new ATOM 0 HD2 TYR A 79 9.139 -6.327 -8.618 1.00 0.00 H new ATOM 0 HE1 TYR A 79 4.415 -5.792 -9.882 1.00 0.00 H new ATOM 0 HE2 TYR A 79 8.401 -4.285 -9.763 1.00 0.00 H new ATOM 0 HH TYR A 79 6.214 -2.989 -10.008 1.00 0.00 H new ATOM 1174 N GLY A 80 7.075 -11.777 -8.103 1.00 0.00 N ATOM 1175 CA GLY A 80 7.101 -13.041 -7.390 1.00 0.00 C ATOM 1176 C GLY A 80 6.569 -12.919 -5.975 1.00 0.00 C ATOM 1177 O GLY A 80 7.091 -13.547 -5.053 1.00 0.00 O ATOM 0 H GLY A 80 6.221 -11.601 -8.632 1.00 0.00 H new ATOM 0 HA2 GLY A 80 6.508 -13.775 -7.936 1.00 0.00 H new ATOM 0 HA3 GLY A 80 8.124 -13.417 -7.359 1.00 0.00 H new ATOM 1181 N ILE A 81 5.530 -12.109 -5.803 1.00 0.00 N ATOM 1182 CA ILE A 81 4.929 -11.907 -4.491 1.00 0.00 C ATOM 1183 C ILE A 81 4.262 -13.184 -3.989 1.00 0.00 C ATOM 1184 O ILE A 81 3.166 -13.536 -4.424 1.00 0.00 O ATOM 1185 CB ILE A 81 3.886 -10.774 -4.518 1.00 0.00 C ATOM 1186 CG1 ILE A 81 4.508 -9.492 -5.077 1.00 0.00 C ATOM 1187 CG2 ILE A 81 3.329 -10.534 -3.122 1.00 0.00 C ATOM 1188 CD1 ILE A 81 5.614 -8.930 -4.211 1.00 0.00 C ATOM 0 H ILE A 81 5.087 -11.582 -6.556 1.00 0.00 H new ATOM 0 HA ILE A 81 5.737 -11.631 -3.813 1.00 0.00 H new ATOM 0 HB ILE A 81 3.065 -11.071 -5.170 1.00 0.00 H new ATOM 0 HG12 ILE A 81 4.904 -9.694 -6.072 1.00 0.00 H new ATOM 0 HG13 ILE A 81 3.728 -8.739 -5.191 1.00 0.00 H new ATOM 0 HG21 ILE A 81 2.593 -9.731 -3.157 1.00 0.00 H new ATOM 0 HG22 ILE A 81 2.854 -11.445 -2.758 1.00 0.00 H new ATOM 0 HG23 ILE A 81 4.140 -10.254 -2.450 1.00 0.00 H new ATOM 0 HD11 ILE A 81 6.008 -8.022 -4.668 1.00 0.00 H new ATOM 0 HD12 ILE A 81 5.219 -8.696 -3.222 1.00 0.00 H new ATOM 0 HD13 ILE A 81 6.413 -9.666 -4.118 1.00 0.00 H new ATOM 1200 N ARG A 82 4.932 -13.872 -3.070 1.00 0.00 N ATOM 1201 CA ARG A 82 4.404 -15.110 -2.508 1.00 0.00 C ATOM 1202 C ARG A 82 4.311 -15.020 -0.988 1.00 0.00 C ATOM 1203 O ARG A 82 3.435 -15.627 -0.373 1.00 0.00 O ATOM 1204 CB ARG A 82 5.288 -16.293 -2.907 1.00 0.00 C ATOM 1205 CG ARG A 82 5.317 -16.554 -4.404 1.00 0.00 C ATOM 1206 CD ARG A 82 6.289 -17.670 -4.756 1.00 0.00 C ATOM 1207 NE ARG A 82 7.663 -17.186 -4.860 1.00 0.00 N ATOM 1208 CZ ARG A 82 8.095 -16.404 -5.842 1.00 0.00 C ATOM 1209 NH1 ARG A 82 7.263 -16.018 -6.800 1.00 0.00 N ATOM 1210 NH2 ARG A 82 9.360 -16.005 -5.868 1.00 0.00 N ATOM 0 H ARG A 82 5.840 -13.594 -2.699 1.00 0.00 H new ATOM 0 HA ARG A 82 3.402 -15.263 -2.907 1.00 0.00 H new ATOM 0 HB2 ARG A 82 6.305 -16.110 -2.559 1.00 0.00 H new ATOM 0 HB3 ARG A 82 4.933 -17.189 -2.397 1.00 0.00 H new ATOM 0 HG2 ARG A 82 4.317 -16.819 -4.748 1.00 0.00 H new ATOM 0 HG3 ARG A 82 5.603 -15.642 -4.928 1.00 0.00 H new ATOM 0 HD2 ARG A 82 6.236 -18.450 -3.997 1.00 0.00 H new ATOM 0 HD3 ARG A 82 5.992 -18.125 -5.701 1.00 0.00 H new ATOM 0 HE ARG A 82 8.328 -17.464 -4.138 1.00 0.00 H new ATOM 0 HH11 ARG A 82 6.289 -16.322 -6.783 1.00 0.00 H new ATOM 0 HH12 ARG A 82 7.597 -15.417 -7.554 1.00 0.00 H new ATOM 0 HH21 ARG A 82 10.003 -16.299 -5.133 1.00 0.00 H new ATOM 0 HH22 ARG A 82 9.690 -15.404 -6.623 1.00 0.00 H new ATOM 1224 N GLY A 83 5.221 -14.259 -0.388 1.00 0.00 N ATOM 1225 CA GLY A 83 5.225 -14.105 1.055 1.00 0.00 C ATOM 1226 C GLY A 83 4.629 -12.783 1.498 1.00 0.00 C ATOM 1227 O GLY A 83 5.285 -11.744 1.430 1.00 0.00 O ATOM 0 H GLY A 83 5.956 -13.746 -0.876 1.00 0.00 H new ATOM 0 HA2 GLY A 83 4.663 -14.923 1.506 1.00 0.00 H new ATOM 0 HA3 GLY A 83 6.248 -14.180 1.423 1.00 0.00 H new ATOM 1231 N PHE A 84 3.380 -12.821 1.951 1.00 0.00 N ATOM 1232 CA PHE A 84 2.694 -11.617 2.405 1.00 0.00 C ATOM 1233 C PHE A 84 2.743 -11.503 3.926 1.00 0.00 C ATOM 1234 O PHE A 84 2.857 -12.496 4.645 1.00 0.00 O ATOM 1235 CB PHE A 84 1.239 -11.624 1.930 1.00 0.00 C ATOM 1236 CG PHE A 84 1.032 -12.372 0.644 1.00 0.00 C ATOM 1237 CD1 PHE A 84 1.832 -12.117 -0.458 1.00 0.00 C ATOM 1238 CD2 PHE A 84 0.038 -13.331 0.538 1.00 0.00 C ATOM 1239 CE1 PHE A 84 1.643 -12.804 -1.642 1.00 0.00 C ATOM 1240 CE2 PHE A 84 -0.156 -14.021 -0.644 1.00 0.00 C ATOM 1241 CZ PHE A 84 0.649 -13.758 -1.735 1.00 0.00 C ATOM 0 H PHE A 84 2.822 -13.673 2.013 1.00 0.00 H new ATOM 0 HA PHE A 84 3.205 -10.755 1.977 1.00 0.00 H new ATOM 0 HB2 PHE A 84 0.614 -12.069 2.705 1.00 0.00 H new ATOM 0 HB3 PHE A 84 0.902 -10.595 1.801 1.00 0.00 H new ATOM 0 HD1 PHE A 84 2.612 -11.373 -0.391 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -0.593 -13.542 1.389 1.00 0.00 H new ATOM 0 HE1 PHE A 84 2.272 -12.595 -2.494 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -0.936 -14.765 -0.714 1.00 0.00 H new ATOM 0 HZ PHE A 84 0.501 -14.297 -2.659 1.00 0.00 H new ATOM 1251 N PRO A 85 2.656 -10.262 4.428 1.00 0.00 N ATOM 1252 CA PRO A 85 2.521 -9.073 3.582 1.00 0.00 C ATOM 1253 C PRO A 85 3.793 -8.771 2.798 1.00 0.00 C ATOM 1254 O PRO A 85 4.865 -9.291 3.110 1.00 0.00 O ATOM 1255 CB PRO A 85 2.233 -7.954 4.586 1.00 0.00 C ATOM 1256 CG PRO A 85 2.833 -8.429 5.865 1.00 0.00 C ATOM 1257 CD PRO A 85 2.684 -9.925 5.861 1.00 0.00 C ATOM 0 HA PRO A 85 1.745 -9.197 2.827 1.00 0.00 H new ATOM 0 HB2 PRO A 85 2.677 -7.011 4.266 1.00 0.00 H new ATOM 0 HB3 PRO A 85 1.162 -7.782 4.691 1.00 0.00 H new ATOM 0 HG2 PRO A 85 3.882 -8.141 5.935 1.00 0.00 H new ATOM 0 HG3 PRO A 85 2.324 -7.988 6.722 1.00 0.00 H new ATOM 0 HD2 PRO A 85 3.514 -10.413 6.372 1.00 0.00 H new ATOM 0 HD3 PRO A 85 1.770 -10.239 6.365 1.00 0.00 H new ATOM 1265 N THR A 86 3.668 -7.928 1.778 1.00 0.00 N ATOM 1266 CA THR A 86 4.808 -7.558 0.949 1.00 0.00 C ATOM 1267 C THR A 86 4.752 -6.084 0.563 1.00 0.00 C ATOM 1268 O THR A 86 3.960 -5.687 -0.292 1.00 0.00 O ATOM 1269 CB THR A 86 4.871 -8.410 -0.333 1.00 0.00 C ATOM 1270 OG1 THR A 86 4.556 -9.774 -0.030 1.00 0.00 O ATOM 1271 CG2 THR A 86 6.252 -8.332 -0.968 1.00 0.00 C ATOM 0 H THR A 86 2.789 -7.489 1.506 1.00 0.00 H new ATOM 0 HA THR A 86 5.703 -7.742 1.543 1.00 0.00 H new ATOM 0 HB THR A 86 4.141 -8.017 -1.040 1.00 0.00 H new ATOM 0 HG1 THR A 86 5.158 -10.101 0.671 1.00 0.00 H new ATOM 0 HG21 THR A 86 6.272 -8.941 -1.871 1.00 0.00 H new ATOM 0 HG22 THR A 86 6.477 -7.297 -1.224 1.00 0.00 H new ATOM 0 HG23 THR A 86 6.998 -8.702 -0.264 1.00 0.00 H new ATOM 1279 N ILE A 87 5.597 -5.278 1.198 1.00 0.00 N ATOM 1280 CA ILE A 87 5.643 -3.848 0.919 1.00 0.00 C ATOM 1281 C ILE A 87 6.726 -3.523 -0.104 1.00 0.00 C ATOM 1282 O ILE A 87 7.900 -3.835 0.097 1.00 0.00 O ATOM 1283 CB ILE A 87 5.902 -3.033 2.200 1.00 0.00 C ATOM 1284 CG1 ILE A 87 4.778 -3.263 3.212 1.00 0.00 C ATOM 1285 CG2 ILE A 87 6.030 -1.554 1.869 1.00 0.00 C ATOM 1286 CD1 ILE A 87 5.190 -3.001 4.643 1.00 0.00 C ATOM 0 H ILE A 87 6.258 -5.591 1.909 1.00 0.00 H new ATOM 0 HA ILE A 87 4.669 -3.573 0.514 1.00 0.00 H new ATOM 0 HB ILE A 87 6.839 -3.368 2.644 1.00 0.00 H new ATOM 0 HG12 ILE A 87 3.936 -2.617 2.961 1.00 0.00 H new ATOM 0 HG13 ILE A 87 4.428 -4.292 3.126 1.00 0.00 H new ATOM 0 HG21 ILE A 87 6.213 -0.991 2.784 1.00 0.00 H new ATOM 0 HG22 ILE A 87 6.861 -1.406 1.180 1.00 0.00 H new ATOM 0 HG23 ILE A 87 5.108 -1.204 1.406 1.00 0.00 H new ATOM 0 HD11 ILE A 87 4.343 -3.184 5.305 1.00 0.00 H new ATOM 0 HD12 ILE A 87 6.011 -3.665 4.912 1.00 0.00 H new ATOM 0 HD13 ILE A 87 5.513 -1.965 4.745 1.00 0.00 H new ATOM 1298 N LYS A 88 6.324 -2.893 -1.203 1.00 0.00 N ATOM 1299 CA LYS A 88 7.259 -2.521 -2.258 1.00 0.00 C ATOM 1300 C LYS A 88 7.075 -1.061 -2.659 1.00 0.00 C ATOM 1301 O LYS A 88 5.948 -0.587 -2.810 1.00 0.00 O ATOM 1302 CB LYS A 88 7.068 -3.424 -3.479 1.00 0.00 C ATOM 1303 CG LYS A 88 7.293 -4.898 -3.186 1.00 0.00 C ATOM 1304 CD LYS A 88 8.745 -5.293 -3.401 1.00 0.00 C ATOM 1305 CE LYS A 88 8.916 -6.804 -3.406 1.00 0.00 C ATOM 1306 NZ LYS A 88 9.151 -7.341 -2.037 1.00 0.00 N ATOM 0 H LYS A 88 5.356 -2.629 -1.386 1.00 0.00 H new ATOM 0 HA LYS A 88 8.271 -2.649 -1.873 1.00 0.00 H new ATOM 0 HB2 LYS A 88 6.058 -3.289 -3.866 1.00 0.00 H new ATOM 0 HB3 LYS A 88 7.755 -3.109 -4.264 1.00 0.00 H new ATOM 0 HG2 LYS A 88 7.005 -5.114 -2.157 1.00 0.00 H new ATOM 0 HG3 LYS A 88 6.652 -5.500 -3.830 1.00 0.00 H new ATOM 0 HD2 LYS A 88 9.099 -4.883 -4.347 1.00 0.00 H new ATOM 0 HD3 LYS A 88 9.362 -4.858 -2.614 1.00 0.00 H new ATOM 0 HE2 LYS A 88 8.026 -7.269 -3.830 1.00 0.00 H new ATOM 0 HE3 LYS A 88 9.753 -7.072 -4.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 8.880 -8.345 -2.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 10.158 -7.247 -1.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 8.579 -6.807 -1.352 1.00 0.00 H new ATOM 1320 N ILE A 89 8.187 -0.355 -2.831 1.00 0.00 N ATOM 1321 CA ILE A 89 8.147 1.050 -3.217 1.00 0.00 C ATOM 1322 C ILE A 89 8.535 1.230 -4.681 1.00 0.00 C ATOM 1323 O ILE A 89 9.481 0.608 -5.164 1.00 0.00 O ATOM 1324 CB ILE A 89 9.085 1.902 -2.341 1.00 0.00 C ATOM 1325 CG1 ILE A 89 8.588 1.923 -0.894 1.00 0.00 C ATOM 1326 CG2 ILE A 89 9.185 3.316 -2.893 1.00 0.00 C ATOM 1327 CD1 ILE A 89 8.997 0.703 -0.097 1.00 0.00 C ATOM 0 H ILE A 89 9.127 -0.733 -2.709 1.00 0.00 H new ATOM 0 HA ILE A 89 7.121 1.387 -3.071 1.00 0.00 H new ATOM 0 HB ILE A 89 10.079 1.455 -2.357 1.00 0.00 H new ATOM 0 HG12 ILE A 89 8.971 2.815 -0.399 1.00 0.00 H new ATOM 0 HG13 ILE A 89 7.501 2.000 -0.893 1.00 0.00 H new ATOM 0 HG21 ILE A 89 9.851 3.906 -2.264 1.00 0.00 H new ATOM 0 HG22 ILE A 89 9.580 3.283 -3.908 1.00 0.00 H new ATOM 0 HG23 ILE A 89 8.196 3.773 -2.903 1.00 0.00 H new ATOM 0 HD11 ILE A 89 8.610 0.786 0.919 1.00 0.00 H new ATOM 0 HD12 ILE A 89 8.591 -0.192 -0.568 1.00 0.00 H new ATOM 0 HD13 ILE A 89 10.085 0.636 -0.067 1.00 0.00 H new ATOM 1339 N PHE A 90 7.798 2.085 -5.382 1.00 0.00 N ATOM 1340 CA PHE A 90 8.065 2.348 -6.791 1.00 0.00 C ATOM 1341 C PHE A 90 8.211 3.845 -7.047 1.00 0.00 C ATOM 1342 O PHE A 90 7.353 4.637 -6.660 1.00 0.00 O ATOM 1343 CB PHE A 90 6.942 1.778 -7.660 1.00 0.00 C ATOM 1344 CG PHE A 90 6.750 0.297 -7.496 1.00 0.00 C ATOM 1345 CD1 PHE A 90 5.955 -0.203 -6.477 1.00 0.00 C ATOM 1346 CD2 PHE A 90 7.364 -0.595 -8.360 1.00 0.00 C ATOM 1347 CE1 PHE A 90 5.776 -1.565 -6.323 1.00 0.00 C ATOM 1348 CE2 PHE A 90 7.188 -1.957 -8.212 1.00 0.00 C ATOM 1349 CZ PHE A 90 6.395 -2.443 -7.191 1.00 0.00 C ATOM 0 H PHE A 90 7.011 2.608 -4.997 1.00 0.00 H new ATOM 0 HA PHE A 90 9.003 1.859 -7.054 1.00 0.00 H new ATOM 0 HB2 PHE A 90 6.010 2.287 -7.414 1.00 0.00 H new ATOM 0 HB3 PHE A 90 7.157 1.995 -8.706 1.00 0.00 H new ATOM 0 HD1 PHE A 90 5.470 0.479 -5.795 1.00 0.00 H new ATOM 0 HD2 PHE A 90 7.988 -0.221 -9.159 1.00 0.00 H new ATOM 0 HE1 PHE A 90 5.153 -1.942 -5.525 1.00 0.00 H new ATOM 0 HE2 PHE A 90 7.670 -2.641 -8.894 1.00 0.00 H new ATOM 0 HZ PHE A 90 6.259 -3.508 -7.072 1.00 0.00 H new ATOM 1359 N GLN A 91 9.305 4.223 -7.701 1.00 0.00 N ATOM 1360 CA GLN A 91 9.564 5.625 -8.008 1.00 0.00 C ATOM 1361 C GLN A 91 9.816 5.818 -9.500 1.00 0.00 C ATOM 1362 O GLN A 91 10.633 5.118 -10.098 1.00 0.00 O ATOM 1363 CB GLN A 91 10.765 6.130 -7.206 1.00 0.00 C ATOM 1364 CG GLN A 91 10.547 6.103 -5.702 1.00 0.00 C ATOM 1365 CD GLN A 91 11.847 6.145 -4.923 1.00 0.00 C ATOM 1366 OE1 GLN A 91 11.813 5.661 -3.687 1.00 0.00 O flip ATOM 1367 NE2 GLN A 91 12.871 6.608 -5.427 1.00 0.00 N flip ATOM 0 H GLN A 91 10.025 3.579 -8.028 1.00 0.00 H new ATOM 0 HA GLN A 91 8.682 6.201 -7.730 1.00 0.00 H new ATOM 0 HB2 GLN A 91 11.636 5.521 -7.449 1.00 0.00 H new ATOM 0 HB3 GLN A 91 10.993 7.151 -7.513 1.00 0.00 H new ATOM 0 HG2 GLN A 91 9.927 6.952 -5.413 1.00 0.00 H new ATOM 0 HG3 GLN A 91 9.997 5.201 -5.435 1.00 0.00 H new ATOM 0 HE21 GLN A 91 12.852 6.969 -6.381 1.00 0.00 H new ATOM 0 HE22 GLN A 91 13.738 6.630 -4.891 1.00 0.00 H new ATOM 1376 N LYS A 92 9.109 6.772 -10.095 1.00 0.00 N ATOM 1377 CA LYS A 92 9.255 7.059 -11.517 1.00 0.00 C ATOM 1378 C LYS A 92 10.704 7.390 -11.859 1.00 0.00 C ATOM 1379 O LYS A 92 11.314 8.262 -11.241 1.00 0.00 O ATOM 1380 CB LYS A 92 8.347 8.223 -11.920 1.00 0.00 C ATOM 1381 CG LYS A 92 8.042 8.271 -13.407 1.00 0.00 C ATOM 1382 CD LYS A 92 7.310 7.022 -13.867 1.00 0.00 C ATOM 1383 CE LYS A 92 6.467 7.294 -15.104 1.00 0.00 C ATOM 1384 NZ LYS A 92 7.308 7.496 -16.315 1.00 0.00 N ATOM 0 H LYS A 92 8.428 7.360 -9.614 1.00 0.00 H new ATOM 0 HA LYS A 92 8.962 6.168 -12.073 1.00 0.00 H new ATOM 0 HB2 LYS A 92 7.410 8.150 -11.368 1.00 0.00 H new ATOM 0 HB3 LYS A 92 8.819 9.160 -11.624 1.00 0.00 H new ATOM 0 HG2 LYS A 92 7.437 9.150 -13.627 1.00 0.00 H new ATOM 0 HG3 LYS A 92 8.971 8.376 -13.967 1.00 0.00 H new ATOM 0 HD2 LYS A 92 8.032 6.235 -14.083 1.00 0.00 H new ATOM 0 HD3 LYS A 92 6.671 6.656 -13.063 1.00 0.00 H new ATOM 0 HE2 LYS A 92 5.786 6.459 -15.270 1.00 0.00 H new ATOM 0 HE3 LYS A 92 5.852 8.179 -14.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 6.696 7.679 -17.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 7.940 8.308 -16.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 7.876 6.642 -16.490 1.00 0.00 H new ATOM 1398 N GLY A 93 11.250 6.689 -12.848 1.00 0.00 N ATOM 1399 CA GLY A 93 12.623 6.925 -13.256 1.00 0.00 C ATOM 1400 C GLY A 93 13.596 5.969 -12.594 1.00 0.00 C ATOM 1401 O GLY A 93 14.439 5.372 -13.261 1.00 0.00 O ATOM 0 H GLY A 93 10.766 5.962 -13.374 1.00 0.00 H new ATOM 0 HA2 GLY A 93 12.700 6.825 -14.339 1.00 0.00 H new ATOM 0 HA3 GLY A 93 12.901 7.950 -13.010 1.00 0.00 H new ATOM 1405 N GLU A 94 13.479 5.826 -11.277 1.00 0.00 N ATOM 1406 CA GLU A 94 14.358 4.938 -10.525 1.00 0.00 C ATOM 1407 C GLU A 94 13.744 3.547 -10.394 1.00 0.00 C ATOM 1408 O GLU A 94 12.528 3.382 -10.494 1.00 0.00 O ATOM 1409 CB GLU A 94 14.638 5.517 -9.137 1.00 0.00 C ATOM 1410 CG GLU A 94 15.231 6.915 -9.168 1.00 0.00 C ATOM 1411 CD GLU A 94 14.170 7.998 -9.199 1.00 0.00 C ATOM 1412 OE1 GLU A 94 13.609 8.248 -10.287 1.00 0.00 O ATOM 1413 OE2 GLU A 94 13.900 8.595 -8.136 1.00 0.00 O ATOM 0 H GLU A 94 12.785 6.313 -10.710 1.00 0.00 H new ATOM 0 HA GLU A 94 15.298 4.851 -11.071 1.00 0.00 H new ATOM 0 HB2 GLU A 94 13.709 5.538 -8.568 1.00 0.00 H new ATOM 0 HB3 GLU A 94 15.321 4.853 -8.607 1.00 0.00 H new ATOM 0 HG2 GLU A 94 15.864 7.057 -8.292 1.00 0.00 H new ATOM 0 HG3 GLU A 94 15.872 7.014 -10.044 1.00 0.00 H new ATOM 1420 N SER A 95 14.594 2.550 -10.171 1.00 0.00 N ATOM 1421 CA SER A 95 14.136 1.173 -10.031 1.00 0.00 C ATOM 1422 C SER A 95 13.456 0.961 -8.681 1.00 0.00 C ATOM 1423 O SER A 95 13.797 1.591 -7.680 1.00 0.00 O ATOM 1424 CB SER A 95 15.312 0.205 -10.180 1.00 0.00 C ATOM 1425 OG SER A 95 16.171 0.269 -9.055 1.00 0.00 O ATOM 0 H SER A 95 15.603 2.670 -10.083 1.00 0.00 H new ATOM 0 HA SER A 95 13.409 0.976 -10.819 1.00 0.00 H new ATOM 0 HB2 SER A 95 14.937 -0.812 -10.298 1.00 0.00 H new ATOM 0 HB3 SER A 95 15.872 0.445 -11.084 1.00 0.00 H new ATOM 0 HG SER A 95 16.913 -0.360 -9.174 1.00 0.00 H new ATOM 1431 N PRO A 96 12.470 0.052 -8.653 1.00 0.00 N ATOM 1432 CA PRO A 96 11.721 -0.266 -7.433 1.00 0.00 C ATOM 1433 C PRO A 96 12.571 -1.010 -6.409 1.00 0.00 C ATOM 1434 O PRO A 96 13.441 -1.804 -6.768 1.00 0.00 O ATOM 1435 CB PRO A 96 10.585 -1.159 -7.937 1.00 0.00 C ATOM 1436 CG PRO A 96 11.111 -1.770 -9.190 1.00 0.00 C ATOM 1437 CD PRO A 96 12.011 -0.736 -9.809 1.00 0.00 C ATOM 0 HA PRO A 96 11.379 0.632 -6.919 1.00 0.00 H new ATOM 0 HB2 PRO A 96 10.326 -1.922 -7.203 1.00 0.00 H new ATOM 0 HB3 PRO A 96 9.681 -0.580 -8.128 1.00 0.00 H new ATOM 0 HG2 PRO A 96 11.660 -2.687 -8.976 1.00 0.00 H new ATOM 0 HG3 PRO A 96 10.298 -2.035 -9.866 1.00 0.00 H new ATOM 0 HD2 PRO A 96 12.845 -1.195 -10.339 1.00 0.00 H new ATOM 0 HD3 PRO A 96 11.476 -0.118 -10.530 1.00 0.00 H new ATOM 1445 N VAL A 97 12.312 -0.750 -5.131 1.00 0.00 N ATOM 1446 CA VAL A 97 13.052 -1.398 -4.054 1.00 0.00 C ATOM 1447 C VAL A 97 12.147 -2.317 -3.241 1.00 0.00 C ATOM 1448 O VAL A 97 10.931 -2.338 -3.435 1.00 0.00 O ATOM 1449 CB VAL A 97 13.692 -0.361 -3.111 1.00 0.00 C ATOM 1450 CG1 VAL A 97 15.098 -0.013 -3.577 1.00 0.00 C ATOM 1451 CG2 VAL A 97 12.826 0.886 -3.024 1.00 0.00 C ATOM 0 H VAL A 97 11.596 -0.096 -4.816 1.00 0.00 H new ATOM 0 HA VAL A 97 13.840 -1.989 -4.521 1.00 0.00 H new ATOM 0 HB VAL A 97 13.762 -0.796 -2.114 1.00 0.00 H new ATOM 0 HG11 VAL A 97 15.535 0.721 -2.899 1.00 0.00 H new ATOM 0 HG12 VAL A 97 15.713 -0.913 -3.582 1.00 0.00 H new ATOM 0 HG13 VAL A 97 15.055 0.403 -4.584 1.00 0.00 H new ATOM 0 HG21 VAL A 97 13.293 1.607 -2.354 1.00 0.00 H new ATOM 0 HG22 VAL A 97 12.722 1.326 -4.016 1.00 0.00 H new ATOM 0 HG23 VAL A 97 11.841 0.619 -2.640 1.00 0.00 H new ATOM 1461 N ASP A 98 12.748 -3.076 -2.332 1.00 0.00 N ATOM 1462 CA ASP A 98 11.997 -3.997 -1.487 1.00 0.00 C ATOM 1463 C ASP A 98 12.011 -3.536 -0.033 1.00 0.00 C ATOM 1464 O ASP A 98 13.060 -3.513 0.611 1.00 0.00 O ATOM 1465 CB ASP A 98 12.577 -5.408 -1.594 1.00 0.00 C ATOM 1466 CG ASP A 98 13.986 -5.498 -1.042 1.00 0.00 C ATOM 1467 OD1 ASP A 98 14.931 -5.113 -1.762 1.00 0.00 O ATOM 1468 OD2 ASP A 98 14.144 -5.955 0.110 1.00 0.00 O ATOM 0 H ASP A 98 13.754 -3.072 -2.161 1.00 0.00 H new ATOM 0 HA ASP A 98 10.964 -4.010 -1.834 1.00 0.00 H new ATOM 0 HB2 ASP A 98 11.934 -6.104 -1.055 1.00 0.00 H new ATOM 0 HB3 ASP A 98 12.579 -5.719 -2.639 1.00 0.00 H new ATOM 1473 N TYR A 99 10.841 -3.170 0.477 1.00 0.00 N ATOM 1474 CA TYR A 99 10.719 -2.706 1.854 1.00 0.00 C ATOM 1475 C TYR A 99 10.872 -3.865 2.835 1.00 0.00 C ATOM 1476 O TYR A 99 10.417 -4.978 2.573 1.00 0.00 O ATOM 1477 CB TYR A 99 9.368 -2.020 2.066 1.00 0.00 C ATOM 1478 CG TYR A 99 9.181 -1.469 3.461 1.00 0.00 C ATOM 1479 CD1 TYR A 99 8.910 -2.312 4.532 1.00 0.00 C ATOM 1480 CD2 TYR A 99 9.276 -0.105 3.709 1.00 0.00 C ATOM 1481 CE1 TYR A 99 8.738 -1.813 5.808 1.00 0.00 C ATOM 1482 CE2 TYR A 99 9.106 0.403 4.983 1.00 0.00 C ATOM 1483 CZ TYR A 99 8.837 -0.455 6.029 1.00 0.00 C ATOM 1484 OH TYR A 99 8.667 0.046 7.299 1.00 0.00 O ATOM 0 H TYR A 99 9.963 -3.185 -0.042 1.00 0.00 H new ATOM 0 HA TYR A 99 11.517 -1.987 2.040 1.00 0.00 H new ATOM 0 HB2 TYR A 99 9.266 -1.207 1.347 1.00 0.00 H new ATOM 0 HB3 TYR A 99 8.571 -2.733 1.856 1.00 0.00 H new ATOM 0 HD1 TYR A 99 8.833 -3.376 4.363 1.00 0.00 H new ATOM 0 HD2 TYR A 99 9.486 0.570 2.892 1.00 0.00 H new ATOM 0 HE1 TYR A 99 8.527 -2.483 6.629 1.00 0.00 H new ATOM 0 HE2 TYR A 99 9.183 1.466 5.159 1.00 0.00 H new ATOM 0 HH TYR A 99 8.770 1.020 7.283 1.00 0.00 H new ATOM 1544 N THR A 104 4.677 -1.811 11.362 1.00 0.00 N ATOM 1545 CA THR A 104 3.785 -0.923 12.096 1.00 0.00 C ATOM 1546 C THR A 104 3.736 0.459 11.457 1.00 0.00 C ATOM 1547 O THR A 104 4.765 1.007 11.060 1.00 0.00 O ATOM 1548 CB THR A 104 4.218 -0.781 13.567 1.00 0.00 C ATOM 1549 OG1 THR A 104 5.559 -0.284 13.637 1.00 0.00 O ATOM 1550 CG2 THR A 104 4.129 -2.117 14.289 1.00 0.00 C ATOM 0 HA THR A 104 2.793 -1.372 12.059 1.00 0.00 H new ATOM 0 HB THR A 104 3.544 -0.077 14.055 1.00 0.00 H new ATOM 0 HG1 THR A 104 6.085 -0.656 12.898 1.00 0.00 H new ATOM 0 HG21 THR A 104 4.440 -1.991 15.326 1.00 0.00 H new ATOM 0 HG22 THR A 104 3.101 -2.479 14.259 1.00 0.00 H new ATOM 0 HG23 THR A 104 4.782 -2.839 13.799 1.00 0.00 H new ATOM 1558 N ARG A 105 2.535 1.020 11.360 1.00 0.00 N ATOM 1559 CA ARG A 105 2.353 2.340 10.767 1.00 0.00 C ATOM 1560 C ARG A 105 3.532 3.251 11.097 1.00 0.00 C ATOM 1561 O ARG A 105 3.911 4.106 10.298 1.00 0.00 O ATOM 1562 CB ARG A 105 1.052 2.971 11.266 1.00 0.00 C ATOM 1563 CG ARG A 105 1.181 3.642 12.623 1.00 0.00 C ATOM 1564 CD ARG A 105 -0.180 3.904 13.247 1.00 0.00 C ATOM 1565 NE ARG A 105 -0.068 4.470 14.589 1.00 0.00 N ATOM 1566 CZ ARG A 105 0.157 3.742 15.677 1.00 0.00 C ATOM 1567 NH1 ARG A 105 0.292 2.426 15.583 1.00 0.00 N ATOM 1568 NH2 ARG A 105 0.246 4.330 16.863 1.00 0.00 N ATOM 0 H ARG A 105 1.673 0.581 11.684 1.00 0.00 H new ATOM 0 HA ARG A 105 2.300 2.221 9.685 1.00 0.00 H new ATOM 0 HB2 ARG A 105 0.712 3.707 10.537 1.00 0.00 H new ATOM 0 HB3 ARG A 105 0.283 2.201 11.323 1.00 0.00 H new ATOM 0 HG2 ARG A 105 1.772 3.011 13.287 1.00 0.00 H new ATOM 0 HG3 ARG A 105 1.720 4.583 12.515 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -0.744 4.587 12.612 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -0.743 2.972 13.293 1.00 0.00 H new ATOM 0 HE ARG A 105 -0.168 5.479 14.696 1.00 0.00 H new ATOM 0 HH11 ARG A 105 0.223 1.970 14.673 1.00 0.00 H new ATOM 0 HH12 ARG A 105 0.465 1.870 16.420 1.00 0.00 H new ATOM 0 HH21 ARG A 105 0.142 5.342 16.940 1.00 0.00 H new ATOM 0 HH22 ARG A 105 0.419 3.770 17.698 1.00 0.00 H new ATOM 1582 N SER A 106 4.107 3.061 12.281 1.00 0.00 N ATOM 1583 CA SER A 106 5.240 3.868 12.719 1.00 0.00 C ATOM 1584 C SER A 106 6.392 3.773 11.723 1.00 0.00 C ATOM 1585 O SER A 106 6.848 4.783 11.187 1.00 0.00 O ATOM 1586 CB SER A 106 5.709 3.417 14.103 1.00 0.00 C ATOM 1587 OG SER A 106 6.383 4.465 14.779 1.00 0.00 O ATOM 0 H SER A 106 3.807 2.355 12.954 1.00 0.00 H new ATOM 0 HA SER A 106 4.915 4.907 12.774 1.00 0.00 H new ATOM 0 HB2 SER A 106 4.852 3.091 14.693 1.00 0.00 H new ATOM 0 HB3 SER A 106 6.373 2.558 14.004 1.00 0.00 H new ATOM 0 HG SER A 106 6.671 4.152 15.662 1.00 0.00 H new ATOM 1593 N ASP A 107 6.856 2.553 11.480 1.00 0.00 N ATOM 1594 CA ASP A 107 7.955 2.324 10.548 1.00 0.00 C ATOM 1595 C ASP A 107 7.524 2.626 9.116 1.00 0.00 C ATOM 1596 O ASP A 107 8.162 3.416 8.420 1.00 0.00 O ATOM 1597 CB ASP A 107 8.447 0.880 10.651 1.00 0.00 C ATOM 1598 CG ASP A 107 9.339 0.657 11.857 1.00 0.00 C ATOM 1599 OD1 ASP A 107 10.430 1.261 11.907 1.00 0.00 O ATOM 1600 OD2 ASP A 107 8.946 -0.123 12.750 1.00 0.00 O ATOM 0 H ASP A 107 6.489 1.707 11.915 1.00 0.00 H new ATOM 0 HA ASP A 107 8.770 2.997 10.813 1.00 0.00 H new ATOM 0 HB2 ASP A 107 7.589 0.210 10.708 1.00 0.00 H new ATOM 0 HB3 ASP A 107 8.994 0.620 9.745 1.00 0.00 H new ATOM 1605 N ILE A 108 6.439 1.993 8.684 1.00 0.00 N ATOM 1606 CA ILE A 108 5.924 2.195 7.336 1.00 0.00 C ATOM 1607 C ILE A 108 5.924 3.673 6.962 1.00 0.00 C ATOM 1608 O ILE A 108 6.199 4.036 5.818 1.00 0.00 O ATOM 1609 CB ILE A 108 4.494 1.641 7.190 1.00 0.00 C ATOM 1610 CG1 ILE A 108 4.468 0.145 7.513 1.00 0.00 C ATOM 1611 CG2 ILE A 108 3.968 1.894 5.785 1.00 0.00 C ATOM 1612 CD1 ILE A 108 3.151 -0.325 8.091 1.00 0.00 C ATOM 0 H ILE A 108 5.900 1.336 9.248 1.00 0.00 H new ATOM 0 HA ILE A 108 6.586 1.652 6.662 1.00 0.00 H new ATOM 0 HB ILE A 108 3.846 2.158 7.898 1.00 0.00 H new ATOM 0 HG12 ILE A 108 4.679 -0.419 6.604 1.00 0.00 H new ATOM 0 HG13 ILE A 108 5.267 -0.080 8.220 1.00 0.00 H new ATOM 0 HG21 ILE A 108 2.957 1.497 5.698 1.00 0.00 H new ATOM 0 HG22 ILE A 108 3.955 2.966 5.589 1.00 0.00 H new ATOM 0 HG23 ILE A 108 4.615 1.401 5.060 1.00 0.00 H new ATOM 0 HD11 ILE A 108 3.204 -1.394 8.296 1.00 0.00 H new ATOM 0 HD12 ILE A 108 2.948 0.212 9.018 1.00 0.00 H new ATOM 0 HD13 ILE A 108 2.351 -0.132 7.377 1.00 0.00 H new ATOM 1624 N VAL A 109 5.616 4.524 7.936 1.00 0.00 N ATOM 1625 CA VAL A 109 5.583 5.964 7.711 1.00 0.00 C ATOM 1626 C VAL A 109 6.992 6.544 7.657 1.00 0.00 C ATOM 1627 O VAL A 109 7.319 7.326 6.764 1.00 0.00 O ATOM 1628 CB VAL A 109 4.785 6.686 8.813 1.00 0.00 C ATOM 1629 CG1 VAL A 109 4.968 8.193 8.705 1.00 0.00 C ATOM 1630 CG2 VAL A 109 3.313 6.313 8.735 1.00 0.00 C ATOM 0 H VAL A 109 5.386 4.241 8.888 1.00 0.00 H new ATOM 0 HA VAL A 109 5.090 6.123 6.752 1.00 0.00 H new ATOM 0 HB VAL A 109 5.167 6.366 9.783 1.00 0.00 H new ATOM 0 HG11 VAL A 109 4.397 8.686 9.492 1.00 0.00 H new ATOM 0 HG12 VAL A 109 6.024 8.440 8.814 1.00 0.00 H new ATOM 0 HG13 VAL A 109 4.614 8.534 7.732 1.00 0.00 H new ATOM 0 HG21 VAL A 109 2.764 6.832 9.521 1.00 0.00 H new ATOM 0 HG22 VAL A 109 2.915 6.603 7.762 1.00 0.00 H new ATOM 0 HG23 VAL A 109 3.203 5.236 8.866 1.00 0.00 H new ATOM 1640 N SER A 110 7.824 6.155 8.618 1.00 0.00 N ATOM 1641 CA SER A 110 9.198 6.638 8.682 1.00 0.00 C ATOM 1642 C SER A 110 9.864 6.566 7.311 1.00 0.00 C ATOM 1643 O SER A 110 10.523 7.511 6.878 1.00 0.00 O ATOM 1644 CB SER A 110 10.002 5.822 9.696 1.00 0.00 C ATOM 1645 OG SER A 110 11.233 6.454 9.999 1.00 0.00 O ATOM 0 H SER A 110 7.570 5.506 9.363 1.00 0.00 H new ATOM 0 HA SER A 110 9.176 7.680 9.001 1.00 0.00 H new ATOM 0 HB2 SER A 110 9.420 5.696 10.609 1.00 0.00 H new ATOM 0 HB3 SER A 110 10.190 4.825 9.298 1.00 0.00 H new ATOM 0 HG SER A 110 11.727 5.913 10.650 1.00 0.00 H new ATOM 1651 N ARG A 111 9.687 5.437 6.634 1.00 0.00 N ATOM 1652 CA ARG A 111 10.270 5.239 5.312 1.00 0.00 C ATOM 1653 C ARG A 111 9.712 6.249 4.315 1.00 0.00 C ATOM 1654 O ARG A 111 10.451 7.063 3.761 1.00 0.00 O ATOM 1655 CB ARG A 111 10.000 3.816 4.819 1.00 0.00 C ATOM 1656 CG ARG A 111 10.857 3.409 3.632 1.00 0.00 C ATOM 1657 CD ARG A 111 12.312 3.221 4.034 1.00 0.00 C ATOM 1658 NE ARG A 111 12.597 1.843 4.426 1.00 0.00 N ATOM 1659 CZ ARG A 111 13.668 1.485 5.126 1.00 0.00 C ATOM 1660 NH1 ARG A 111 14.549 2.398 5.510 1.00 0.00 N ATOM 1661 NH2 ARG A 111 13.858 0.211 5.444 1.00 0.00 N ATOM 0 H ARG A 111 9.145 4.645 6.979 1.00 0.00 H new ATOM 0 HA ARG A 111 11.347 5.390 5.391 1.00 0.00 H new ATOM 0 HB2 ARG A 111 10.174 3.118 5.638 1.00 0.00 H new ATOM 0 HB3 ARG A 111 8.949 3.729 4.544 1.00 0.00 H new ATOM 0 HG2 ARG A 111 10.473 2.482 3.206 1.00 0.00 H new ATOM 0 HG3 ARG A 111 10.789 4.170 2.854 1.00 0.00 H new ATOM 0 HD2 ARG A 111 12.957 3.502 3.202 1.00 0.00 H new ATOM 0 HD3 ARG A 111 12.549 3.890 4.861 1.00 0.00 H new ATOM 0 HE ARG A 111 11.938 1.116 4.147 1.00 0.00 H new ATOM 0 HH11 ARG A 111 14.406 3.378 5.268 1.00 0.00 H new ATOM 0 HH12 ARG A 111 15.370 2.120 6.047 1.00 0.00 H new ATOM 0 HH21 ARG A 111 13.182 -0.494 5.151 1.00 0.00 H new ATOM 0 HH22 ARG A 111 14.680 -0.063 5.981 1.00 0.00 H new ATOM 1675 N ALA A 112 8.404 6.191 4.090 1.00 0.00 N ATOM 1676 CA ALA A 112 7.747 7.101 3.161 1.00 0.00 C ATOM 1677 C ALA A 112 8.409 8.475 3.177 1.00 0.00 C ATOM 1678 O ALA A 112 8.569 9.110 2.134 1.00 0.00 O ATOM 1679 CB ALA A 112 6.268 7.222 3.497 1.00 0.00 C ATOM 0 H ALA A 112 7.778 5.523 4.539 1.00 0.00 H new ATOM 0 HA ALA A 112 7.848 6.690 2.157 1.00 0.00 H new ATOM 0 HB1 ALA A 112 5.790 7.905 2.795 1.00 0.00 H new ATOM 0 HB2 ALA A 112 5.797 6.241 3.427 1.00 0.00 H new ATOM 0 HB3 ALA A 112 6.155 7.607 4.511 1.00 0.00 H new ATOM 1685 N LEU A 113 8.792 8.928 4.365 1.00 0.00 N ATOM 1686 CA LEU A 113 9.437 10.227 4.517 1.00 0.00 C ATOM 1687 C LEU A 113 10.829 10.220 3.894 1.00 0.00 C ATOM 1688 O LEU A 113 11.184 11.121 3.134 1.00 0.00 O ATOM 1689 CB LEU A 113 9.529 10.603 5.997 1.00 0.00 C ATOM 1690 CG LEU A 113 8.257 11.171 6.627 1.00 0.00 C ATOM 1691 CD1 LEU A 113 8.391 11.232 8.140 1.00 0.00 C ATOM 1692 CD2 LEU A 113 7.951 12.550 6.060 1.00 0.00 C ATOM 0 H LEU A 113 8.667 8.415 5.238 1.00 0.00 H new ATOM 0 HA LEU A 113 8.831 10.969 3.997 1.00 0.00 H new ATOM 0 HB2 LEU A 113 9.824 9.716 6.559 1.00 0.00 H new ATOM 0 HB3 LEU A 113 10.327 11.336 6.116 1.00 0.00 H new ATOM 0 HG LEU A 113 7.427 10.508 6.384 1.00 0.00 H new ATOM 0 HD11 LEU A 113 7.476 11.639 8.570 1.00 0.00 H new ATOM 0 HD12 LEU A 113 8.561 10.229 8.531 1.00 0.00 H new ATOM 0 HD13 LEU A 113 9.232 11.872 8.405 1.00 0.00 H new ATOM 0 HD21 LEU A 113 7.042 12.939 6.520 1.00 0.00 H new ATOM 0 HD22 LEU A 113 8.782 13.223 6.272 1.00 0.00 H new ATOM 0 HD23 LEU A 113 7.809 12.477 4.982 1.00 0.00 H new ATOM 1704 N ASP A 114 11.612 9.198 4.221 1.00 0.00 N ATOM 1705 CA ASP A 114 12.965 9.072 3.691 1.00 0.00 C ATOM 1706 C ASP A 114 12.978 9.276 2.179 1.00 0.00 C ATOM 1707 O ASP A 114 13.930 9.824 1.624 1.00 0.00 O ATOM 1708 CB ASP A 114 13.546 7.700 4.038 1.00 0.00 C ATOM 1709 CG ASP A 114 14.239 7.690 5.386 1.00 0.00 C ATOM 1710 OD1 ASP A 114 15.421 8.090 5.448 1.00 0.00 O ATOM 1711 OD2 ASP A 114 13.601 7.281 6.379 1.00 0.00 O ATOM 0 H ASP A 114 11.333 8.445 4.850 1.00 0.00 H new ATOM 0 HA ASP A 114 13.581 9.845 4.149 1.00 0.00 H new ATOM 0 HB2 ASP A 114 12.746 6.959 4.038 1.00 0.00 H new ATOM 0 HB3 ASP A 114 14.255 7.403 3.266 1.00 0.00 H new ATOM 1716 N LEU A 115 11.915 8.829 1.519 1.00 0.00 N ATOM 1717 CA LEU A 115 11.804 8.961 0.070 1.00 0.00 C ATOM 1718 C LEU A 115 11.183 10.302 -0.308 1.00 0.00 C ATOM 1719 O LEU A 115 11.669 10.993 -1.204 1.00 0.00 O ATOM 1720 CB LEU A 115 10.965 7.818 -0.503 1.00 0.00 C ATOM 1721 CG LEU A 115 11.190 6.441 0.123 1.00 0.00 C ATOM 1722 CD1 LEU A 115 10.080 5.483 -0.282 1.00 0.00 C ATOM 1723 CD2 LEU A 115 12.549 5.888 -0.280 1.00 0.00 C ATOM 0 H LEU A 115 11.118 8.372 1.963 1.00 0.00 H new ATOM 0 HA LEU A 115 12.808 8.914 -0.353 1.00 0.00 H new ATOM 0 HB2 LEU A 115 9.912 8.077 -0.394 1.00 0.00 H new ATOM 0 HB3 LEU A 115 11.167 7.746 -1.572 1.00 0.00 H new ATOM 0 HG LEU A 115 11.171 6.548 1.208 1.00 0.00 H new ATOM 0 HD11 LEU A 115 10.257 4.508 0.173 1.00 0.00 H new ATOM 0 HD12 LEU A 115 9.121 5.873 0.058 1.00 0.00 H new ATOM 0 HD13 LEU A 115 10.066 5.380 -1.367 1.00 0.00 H new ATOM 0 HD21 LEU A 115 12.692 4.908 0.174 1.00 0.00 H new ATOM 0 HD22 LEU A 115 12.597 5.795 -1.365 1.00 0.00 H new ATOM 0 HD23 LEU A 115 13.333 6.564 0.061 1.00 0.00 H new ATOM 1735 N PHE A 116 10.106 10.666 0.381 1.00 0.00 N ATOM 1736 CA PHE A 116 9.419 11.925 0.119 1.00 0.00 C ATOM 1737 C PHE A 116 10.419 13.066 -0.046 1.00 0.00 C ATOM 1738 O PHE A 116 10.418 13.765 -1.059 1.00 0.00 O ATOM 1739 CB PHE A 116 8.445 12.245 1.254 1.00 0.00 C ATOM 1740 CG PHE A 116 8.072 13.698 1.332 1.00 0.00 C ATOM 1741 CD1 PHE A 116 7.090 14.220 0.506 1.00 0.00 C ATOM 1742 CD2 PHE A 116 8.703 14.541 2.232 1.00 0.00 C ATOM 1743 CE1 PHE A 116 6.746 15.557 0.575 1.00 0.00 C ATOM 1744 CE2 PHE A 116 8.363 15.879 2.306 1.00 0.00 C ATOM 1745 CZ PHE A 116 7.382 16.387 1.477 1.00 0.00 C ATOM 0 H PHE A 116 9.690 10.106 1.125 1.00 0.00 H new ATOM 0 HA PHE A 116 8.860 11.818 -0.810 1.00 0.00 H new ATOM 0 HB2 PHE A 116 7.540 11.652 1.123 1.00 0.00 H new ATOM 0 HB3 PHE A 116 8.891 11.941 2.201 1.00 0.00 H new ATOM 0 HD1 PHE A 116 6.588 13.575 -0.200 1.00 0.00 H new ATOM 0 HD2 PHE A 116 9.470 14.148 2.884 1.00 0.00 H new ATOM 0 HE1 PHE A 116 5.980 15.952 -0.076 1.00 0.00 H new ATOM 0 HE2 PHE A 116 8.864 16.526 3.011 1.00 0.00 H new ATOM 0 HZ PHE A 116 7.113 17.431 1.534 1.00 0.00 H new ATOM 1755 N SER A 117 11.271 13.248 0.958 1.00 0.00 N ATOM 1756 CA SER A 117 12.273 14.307 0.928 1.00 0.00 C ATOM 1757 C SER A 117 12.781 14.533 -0.493 1.00 0.00 C ATOM 1758 O SER A 117 12.893 15.671 -0.950 1.00 0.00 O ATOM 1759 CB SER A 117 13.442 13.957 1.850 1.00 0.00 C ATOM 1760 OG SER A 117 13.013 13.842 3.196 1.00 0.00 O ATOM 0 H SER A 117 11.287 12.676 1.802 1.00 0.00 H new ATOM 0 HA SER A 117 11.805 15.227 1.279 1.00 0.00 H new ATOM 0 HB2 SER A 117 13.895 13.019 1.528 1.00 0.00 H new ATOM 0 HB3 SER A 117 14.211 14.725 1.775 1.00 0.00 H new ATOM 0 HG SER A 117 13.778 13.616 3.765 1.00 0.00 H new ATOM 1766 N ASP A 118 13.087 13.442 -1.185 1.00 0.00 N ATOM 1767 CA ASP A 118 13.583 13.519 -2.555 1.00 0.00 C ATOM 1768 C ASP A 118 12.427 13.611 -3.547 1.00 0.00 C ATOM 1769 O ASP A 118 12.235 14.638 -4.197 1.00 0.00 O ATOM 1770 CB ASP A 118 14.450 12.301 -2.876 1.00 0.00 C ATOM 1771 CG ASP A 118 15.257 12.483 -4.146 1.00 0.00 C ATOM 1772 OD1 ASP A 118 16.267 13.217 -4.108 1.00 0.00 O ATOM 1773 OD2 ASP A 118 14.880 11.892 -5.178 1.00 0.00 O ATOM 0 H ASP A 118 13.001 12.493 -0.821 1.00 0.00 H new ATOM 0 HA ASP A 118 14.189 14.420 -2.645 1.00 0.00 H new ATOM 0 HB2 ASP A 118 15.127 12.111 -2.043 1.00 0.00 H new ATOM 0 HB3 ASP A 118 13.813 11.422 -2.976 1.00 0.00 H new ATOM 1778 N ASN A 119 11.661 12.531 -3.657 1.00 0.00 N ATOM 1779 CA ASN A 119 10.526 12.489 -4.571 1.00 0.00 C ATOM 1780 C ASN A 119 9.851 13.855 -4.663 1.00 0.00 C ATOM 1781 O ASN A 119 9.977 14.554 -5.668 1.00 0.00 O ATOM 1782 CB ASN A 119 9.513 11.438 -4.112 1.00 0.00 C ATOM 1783 CG ASN A 119 9.986 10.023 -4.384 1.00 0.00 C ATOM 1784 OD1 ASN A 119 9.721 9.461 -5.447 1.00 0.00 O ATOM 1785 ND2 ASN A 119 10.690 9.439 -3.421 1.00 0.00 N ATOM 0 H ASN A 119 11.806 11.673 -3.124 1.00 0.00 H new ATOM 0 HA ASN A 119 10.897 12.219 -5.559 1.00 0.00 H new ATOM 0 HB2 ASN A 119 9.328 11.558 -3.045 1.00 0.00 H new ATOM 0 HB3 ASN A 119 8.564 11.605 -4.621 1.00 0.00 H new ATOM 0 HD21 ASN A 119 11.034 8.487 -3.547 1.00 0.00 H new ATOM 0 HD22 ASN A 119 10.886 9.942 -2.556 1.00 0.00 H new