USER MOD reduce.3.24.130724 H: found=0, std=0, add=853, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 855 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 21 ASN : amide:sc= -3.4! C(o=-2.4!,f=-13!) USER MOD Set 1.2: A 115 TYR OH : rot 30:sc= 0.989 USER MOD Set 2.1: A 88 HIS : no HE2:sc= -3.69! C(o=-3.1!,f=-25!) USER MOD Set 2.2: A 106 TYR OH : rot 30:sc= 0.618 USER MOD Set 3.1: A 63 LYS NZ :NH3+ -120:sc= 0.106 (180deg=0.501!) USER MOD Set 3.2: A 71 HIS : no HE2:sc= -3.32 K(o=-2.8,f=-15!) USER MOD Set 3.3: A 73 TYR OH : rot 180:sc= 0.454 USER MOD Set 4.1: A 60 SER OG : rot -171:sc= 0.999 USER MOD Set 4.2: A 72 HIS : no HD1:sc= -3.84! C(o=-2.8!,f=-25!) USER MOD Single : A 5 SER OG : rot -39:sc= 0.0593 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= -0.739 K(o=-0.74,f=0) USER MOD Single : A 12 ASN : amide:sc= -1.14 K(o=-1.1,f=-1.9) USER MOD Single : A 16 SER OG : rot -87:sc= 0.797 USER MOD Single : A 17 MET CE :methyl -159:sc= -1.45 (180deg=-2.37!) USER MOD Single : A 20 LYS NZ :NH3+ -176:sc= -0.0894 (180deg=-0.608) USER MOD Single : A 22 LYS NZ :NH3+ -133:sc= -0.544 (180deg=-0.915) USER MOD Single : A 26 SER OG : rot 101:sc= 1.23 USER MOD Single : A 29 GLN : amide:sc= 0.806 K(o=0.81,f=-0.63) USER MOD Single : A 30 CYS SG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot -38:sc= 1.02 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 167:sc= 0.179 (180deg=-0.523) USER MOD Single : A 43 TYR OH : rot 133:sc= 0.103 USER MOD Single : A 61 THR OG1 : rot 50:sc= -1.07! USER MOD Single : A 62 LYS NZ :NH3+ 124:sc= -0.151 (180deg=-0.841) USER MOD Single : A 66 LYS NZ :NH3+ -110:sc= -0.825! (180deg=-6.1!) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 MET CE :methyl 138:sc= -1.14 (180deg=-3.06) USER MOD Single : A 77 HIS : no HD1:sc= -8.27! C(o=-8.3!,f=-9.3!) USER MOD Single : A 80 SER OG : rot 72:sc= -0.992 USER MOD Single : A 81 LYS NZ :NH3+ -164:sc= 0.472 (180deg=-0.632!) USER MOD Single : A 82 LYS NZ :NH3+ -107:sc= 0.389 (180deg=-2.21!) USER MOD Single : A 83 LYS NZ :NH3+ 149:sc= 1.14 (180deg=0.896) USER MOD Single : A 92 LYS NZ :NH3+ -139:sc= 0.867 (180deg=-0.025!) USER MOD Single : A 94 SER OG : rot 180:sc= 0.0117 USER MOD Single : A 99 GLN : amide:sc= -2.44 K(o=-2.4,f=-11!) USER MOD Single : A 104 ASN : amide:sc= -3.62! C(o=-3.6!,f=-12!) USER MOD Single : A 105 MET CE :methyl 139:sc= -4.11! (180deg=-8.72!) USER MOD Single : A 113 LYS NZ :NH3+ -159:sc= 0 (180deg=-0.408) USER MOD Single : A 116 TYR OH : rot 180:sc= -1.71! USER MOD Single : A 119 LYS NZ :NH3+ 146:sc= -0.516 (180deg=-2.71!) USER MOD Single : A 121 LYS NZ :NH3+ 165:sc= -0.635 (180deg=-1.15) USER MOD ----------------------------------------------------------------- ATOM 42 N SER A 5 1.699 -0.761 17.038 1.00 0.00 N ATOM 43 CA SER A 5 1.298 0.327 16.158 1.00 0.00 C ATOM 44 C SER A 5 1.956 0.245 14.790 1.00 0.00 C ATOM 45 O SER A 5 1.615 1.014 13.895 1.00 0.00 O ATOM 46 CB SER A 5 1.618 1.673 16.810 1.00 0.00 C ATOM 47 OG SER A 5 3.027 1.785 17.018 1.00 0.00 O ATOM 0 HA SER A 5 0.223 0.235 16.005 1.00 0.00 H new ATOM 0 HB2 SER A 5 1.269 2.487 16.175 1.00 0.00 H new ATOM 0 HB3 SER A 5 1.092 1.762 17.761 1.00 0.00 H new ATOM 0 HG SER A 5 3.386 0.917 17.299 1.00 0.00 H new ATOM 53 N GLY A 6 2.947 -0.623 14.649 1.00 0.00 N ATOM 54 CA GLY A 6 3.721 -0.680 13.410 1.00 0.00 C ATOM 55 C GLY A 6 2.816 -0.777 12.188 1.00 0.00 C ATOM 56 O GLY A 6 2.822 0.111 11.332 1.00 0.00 O ATOM 0 H GLY A 6 3.234 -1.291 15.365 1.00 0.00 H new ATOM 0 HA2 GLY A 6 4.347 0.209 13.330 1.00 0.00 H new ATOM 0 HA3 GLY A 6 4.390 -1.540 13.437 1.00 0.00 H new ATOM 60 N ASP A 7 1.997 -1.811 12.137 1.00 0.00 N ATOM 61 CA ASP A 7 1.074 -1.990 11.020 1.00 0.00 C ATOM 62 C ASP A 7 0.113 -0.828 10.953 1.00 0.00 C ATOM 63 O ASP A 7 -0.174 -0.299 9.883 1.00 0.00 O ATOM 64 CB ASP A 7 0.249 -3.278 11.201 1.00 0.00 C ATOM 65 CG ASP A 7 -0.703 -3.143 12.395 1.00 0.00 C ATOM 66 OD1 ASP A 7 -0.271 -2.683 13.436 1.00 0.00 O ATOM 67 OD2 ASP A 7 -1.850 -3.501 12.258 1.00 0.00 O ATOM 0 H ASP A 7 1.948 -2.539 12.850 1.00 0.00 H new ATOM 0 HA ASP A 7 1.663 -2.051 10.105 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -0.321 -3.482 10.295 1.00 0.00 H new ATOM 0 HB3 ASP A 7 0.917 -4.126 11.355 1.00 0.00 H new ATOM 72 N THR A 8 -0.412 -0.477 12.097 1.00 0.00 N ATOM 73 CA THR A 8 -1.412 0.553 12.197 1.00 0.00 C ATOM 74 C THR A 8 -0.844 1.888 11.736 1.00 0.00 C ATOM 75 O THR A 8 -1.423 2.559 10.879 1.00 0.00 O ATOM 76 CB THR A 8 -1.892 0.639 13.648 1.00 0.00 C ATOM 77 OG1 THR A 8 -2.147 -0.686 14.129 1.00 0.00 O ATOM 78 CG2 THR A 8 -3.182 1.459 13.721 1.00 0.00 C ATOM 0 H THR A 8 -0.157 -0.899 12.990 1.00 0.00 H new ATOM 0 HA THR A 8 -2.257 0.310 11.553 1.00 0.00 H new ATOM 0 HB THR A 8 -1.128 1.120 14.258 1.00 0.00 H new ATOM 0 HG1 THR A 8 -2.454 -0.643 15.059 1.00 0.00 H new ATOM 0 HG21 THR A 8 -3.518 1.516 14.756 1.00 0.00 H new ATOM 0 HG22 THR A 8 -2.996 2.464 13.344 1.00 0.00 H new ATOM 0 HG23 THR A 8 -3.952 0.981 13.115 1.00 0.00 H new ATOM 86 N GLN A 9 0.330 2.230 12.237 1.00 0.00 N ATOM 87 CA GLN A 9 0.982 3.452 11.832 1.00 0.00 C ATOM 88 C GLN A 9 1.316 3.389 10.368 1.00 0.00 C ATOM 89 O GLN A 9 1.015 4.309 9.613 1.00 0.00 O ATOM 90 CB GLN A 9 2.268 3.663 12.640 1.00 0.00 C ATOM 91 CG GLN A 9 1.933 4.271 14.004 1.00 0.00 C ATOM 92 CD GLN A 9 2.100 5.783 13.944 1.00 0.00 C ATOM 93 OE1 GLN A 9 2.966 6.342 14.628 1.00 0.00 O ATOM 94 NE2 GLN A 9 1.344 6.482 13.157 1.00 0.00 N ATOM 0 H GLN A 9 0.846 1.678 12.922 1.00 0.00 H new ATOM 0 HA GLN A 9 0.305 4.286 12.017 1.00 0.00 H new ATOM 0 HB2 GLN A 9 2.784 2.712 12.773 1.00 0.00 H new ATOM 0 HB3 GLN A 9 2.946 4.320 12.096 1.00 0.00 H new ATOM 0 HG2 GLN A 9 0.910 4.019 14.285 1.00 0.00 H new ATOM 0 HG3 GLN A 9 2.586 3.853 14.770 1.00 0.00 H new ATOM 0 HE21 GLN A 9 0.630 6.021 12.593 1.00 0.00 H new ATOM 0 HE22 GLN A 9 1.463 7.494 13.101 1.00 0.00 H new ATOM 103 N LEU A 10 1.928 2.297 9.958 1.00 0.00 N ATOM 104 CA LEU A 10 2.302 2.157 8.575 1.00 0.00 C ATOM 105 C LEU A 10 1.082 2.119 7.682 1.00 0.00 C ATOM 106 O LEU A 10 1.051 2.779 6.653 1.00 0.00 O ATOM 107 CB LEU A 10 3.191 0.948 8.353 1.00 0.00 C ATOM 108 CG LEU A 10 4.526 1.161 9.089 1.00 0.00 C ATOM 109 CD1 LEU A 10 5.492 0.059 8.717 1.00 0.00 C ATOM 110 CD2 LEU A 10 5.136 2.527 8.745 1.00 0.00 C ATOM 0 H LEU A 10 2.172 1.507 10.556 1.00 0.00 H new ATOM 0 HA LEU A 10 2.885 3.037 8.303 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.699 0.047 8.720 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.368 0.803 7.287 1.00 0.00 H new ATOM 0 HG LEU A 10 4.335 1.135 10.162 1.00 0.00 H new ATOM 0 HD11 LEU A 10 6.437 0.212 9.239 1.00 0.00 H new ATOM 0 HD12 LEU A 10 5.071 -0.905 9.002 1.00 0.00 H new ATOM 0 HD13 LEU A 10 5.665 0.075 7.641 1.00 0.00 H new ATOM 0 HD21 LEU A 10 6.078 2.650 9.279 1.00 0.00 H new ATOM 0 HD22 LEU A 10 5.317 2.585 7.672 1.00 0.00 H new ATOM 0 HD23 LEU A 10 4.446 3.318 9.039 1.00 0.00 H new ATOM 122 N PHE A 11 0.044 1.414 8.116 1.00 0.00 N ATOM 123 CA PHE A 11 -1.197 1.395 7.361 1.00 0.00 C ATOM 124 C PHE A 11 -1.747 2.796 7.241 1.00 0.00 C ATOM 125 O PHE A 11 -2.037 3.266 6.142 1.00 0.00 O ATOM 126 CB PHE A 11 -2.231 0.489 8.046 1.00 0.00 C ATOM 127 CG PHE A 11 -3.587 0.668 7.387 1.00 0.00 C ATOM 128 CD1 PHE A 11 -3.855 0.096 6.135 1.00 0.00 C ATOM 129 CD2 PHE A 11 -4.575 1.419 8.038 1.00 0.00 C ATOM 130 CE1 PHE A 11 -5.108 0.277 5.541 1.00 0.00 C ATOM 131 CE2 PHE A 11 -5.827 1.598 7.443 1.00 0.00 C ATOM 132 CZ PHE A 11 -6.094 1.028 6.195 1.00 0.00 C ATOM 0 H PHE A 11 0.038 0.858 8.971 1.00 0.00 H new ATOM 0 HA PHE A 11 -0.991 1.001 6.366 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -1.918 -0.553 7.977 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -2.296 0.733 9.106 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -3.095 -0.483 5.631 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -4.368 1.861 9.002 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -5.316 -0.163 4.577 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -6.587 2.176 7.947 1.00 0.00 H new ATOM 0 HZ PHE A 11 -7.061 1.166 5.734 1.00 0.00 H new ATOM 142 N ASN A 12 -1.809 3.494 8.364 1.00 0.00 N ATOM 143 CA ASN A 12 -2.306 4.862 8.367 1.00 0.00 C ATOM 144 C ASN A 12 -1.406 5.718 7.515 1.00 0.00 C ATOM 145 O ASN A 12 -1.861 6.486 6.665 1.00 0.00 O ATOM 146 CB ASN A 12 -2.269 5.411 9.786 1.00 0.00 C ATOM 147 CG ASN A 12 -3.276 4.700 10.665 1.00 0.00 C ATOM 148 OD1 ASN A 12 -4.281 4.172 10.178 1.00 0.00 O ATOM 149 ND2 ASN A 12 -3.061 4.636 11.939 1.00 0.00 N ATOM 0 H ASN A 12 -1.524 3.141 9.278 1.00 0.00 H new ATOM 0 HA ASN A 12 -3.325 4.873 7.981 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -1.268 5.291 10.201 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -2.482 6.480 9.773 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -3.722 4.149 12.544 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -2.230 5.073 12.339 1.00 0.00 H new ATOM 156 N ARG A 13 -0.116 5.543 7.709 1.00 0.00 N ATOM 157 CA ARG A 13 0.871 6.268 6.948 1.00 0.00 C ATOM 158 C ARG A 13 0.815 5.905 5.478 1.00 0.00 C ATOM 159 O ARG A 13 0.870 6.773 4.623 1.00 0.00 O ATOM 160 CB ARG A 13 2.255 6.015 7.528 1.00 0.00 C ATOM 161 CG ARG A 13 2.361 6.763 8.861 1.00 0.00 C ATOM 162 CD ARG A 13 3.672 6.416 9.556 1.00 0.00 C ATOM 163 NE ARG A 13 3.972 7.419 10.574 1.00 0.00 N ATOM 164 CZ ARG A 13 5.198 7.574 11.073 1.00 0.00 C ATOM 165 NH1 ARG A 13 6.160 6.781 10.694 1.00 0.00 N ATOM 166 NH2 ARG A 13 5.429 8.506 11.944 1.00 0.00 N ATOM 0 H ARG A 13 0.273 4.897 8.396 1.00 0.00 H new ATOM 0 HA ARG A 13 0.651 7.333 7.020 1.00 0.00 H new ATOM 0 HB2 ARG A 13 2.415 4.947 7.678 1.00 0.00 H new ATOM 0 HB3 ARG A 13 3.025 6.359 6.837 1.00 0.00 H new ATOM 0 HG2 ARG A 13 2.306 7.838 8.689 1.00 0.00 H new ATOM 0 HG3 ARG A 13 1.520 6.499 9.502 1.00 0.00 H new ATOM 0 HD2 ARG A 13 3.602 5.429 10.014 1.00 0.00 H new ATOM 0 HD3 ARG A 13 4.481 6.372 8.826 1.00 0.00 H new ATOM 0 HE ARG A 13 3.220 8.019 10.913 1.00 0.00 H new ATOM 0 HH11 ARG A 13 5.974 6.042 10.016 1.00 0.00 H new ATOM 0 HH12 ARG A 13 7.099 6.899 11.076 1.00 0.00 H new ATOM 0 HH21 ARG A 13 4.673 9.120 12.247 1.00 0.00 H new ATOM 0 HH22 ARG A 13 6.367 8.625 12.327 1.00 0.00 H new ATOM 180 N ALA A 14 0.688 4.630 5.189 1.00 0.00 N ATOM 181 CA ALA A 14 0.608 4.184 3.812 1.00 0.00 C ATOM 182 C ALA A 14 -0.698 4.627 3.175 1.00 0.00 C ATOM 183 O ALA A 14 -0.703 5.172 2.070 1.00 0.00 O ATOM 184 CB ALA A 14 0.747 2.662 3.721 1.00 0.00 C ATOM 0 H ALA A 14 0.638 3.885 5.883 1.00 0.00 H new ATOM 0 HA ALA A 14 1.434 4.641 3.267 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.684 2.353 2.678 1.00 0.00 H new ATOM 0 HB2 ALA A 14 1.710 2.359 4.131 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -0.054 2.189 4.289 1.00 0.00 H new ATOM 190 N VAL A 15 -1.804 4.380 3.869 1.00 0.00 N ATOM 191 CA VAL A 15 -3.114 4.725 3.345 1.00 0.00 C ATOM 192 C VAL A 15 -3.269 6.235 3.167 1.00 0.00 C ATOM 193 O VAL A 15 -3.804 6.700 2.152 1.00 0.00 O ATOM 194 CB VAL A 15 -4.241 4.128 4.221 1.00 0.00 C ATOM 195 CG1 VAL A 15 -4.555 5.041 5.410 1.00 0.00 C ATOM 196 CG2 VAL A 15 -5.505 3.937 3.377 1.00 0.00 C ATOM 0 H VAL A 15 -1.816 3.944 4.791 1.00 0.00 H new ATOM 0 HA VAL A 15 -3.202 4.279 2.354 1.00 0.00 H new ATOM 0 HB VAL A 15 -3.902 3.165 4.604 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -5.350 4.598 6.009 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -3.662 5.160 6.023 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -4.876 6.016 5.045 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -6.297 3.516 3.997 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -5.827 4.900 2.981 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -5.292 3.258 2.551 1.00 0.00 H new ATOM 206 N SER A 16 -2.782 7.008 4.138 1.00 0.00 N ATOM 207 CA SER A 16 -2.925 8.448 4.061 1.00 0.00 C ATOM 208 C SER A 16 -2.264 8.979 2.817 1.00 0.00 C ATOM 209 O SER A 16 -2.823 9.811 2.106 1.00 0.00 O ATOM 210 CB SER A 16 -2.321 9.126 5.300 1.00 0.00 C ATOM 211 OG SER A 16 -1.101 8.473 5.665 1.00 0.00 O ATOM 0 H SER A 16 -2.297 6.664 4.967 1.00 0.00 H new ATOM 0 HA SER A 16 -3.990 8.676 4.023 1.00 0.00 H new ATOM 0 HB2 SER A 16 -2.132 10.179 5.093 1.00 0.00 H new ATOM 0 HB3 SER A 16 -3.028 9.085 6.129 1.00 0.00 H new ATOM 0 HG SER A 16 -1.298 7.722 6.262 1.00 0.00 H new ATOM 217 N MET A 17 -1.058 8.519 2.567 1.00 0.00 N ATOM 218 CA MET A 17 -0.316 9.016 1.438 1.00 0.00 C ATOM 219 C MET A 17 -0.968 8.627 0.117 1.00 0.00 C ATOM 220 O MET A 17 -0.982 9.422 -0.828 1.00 0.00 O ATOM 221 CB MET A 17 1.126 8.522 1.487 1.00 0.00 C ATOM 222 CG MET A 17 1.792 9.062 2.742 1.00 0.00 C ATOM 223 SD MET A 17 3.597 8.832 2.628 1.00 0.00 S ATOM 224 CE MET A 17 3.661 7.048 2.963 1.00 0.00 C ATOM 0 H MET A 17 -0.579 7.811 3.124 1.00 0.00 H new ATOM 0 HA MET A 17 -0.319 10.104 1.498 1.00 0.00 H new ATOM 0 HB2 MET A 17 1.151 7.432 1.487 1.00 0.00 H new ATOM 0 HB3 MET A 17 1.668 8.853 0.601 1.00 0.00 H new ATOM 0 HG2 MET A 17 1.558 10.120 2.863 1.00 0.00 H new ATOM 0 HG3 MET A 17 1.405 8.547 3.621 1.00 0.00 H new ATOM 0 HE1 MET A 17 4.660 6.777 3.304 1.00 0.00 H new ATOM 0 HE2 MET A 17 2.934 6.796 3.735 1.00 0.00 H new ATOM 0 HE3 MET A 17 3.427 6.498 2.051 1.00 0.00 H new ATOM 234 N VAL A 18 -1.425 7.381 0.017 1.00 0.00 N ATOM 235 CA VAL A 18 -1.994 6.891 -1.235 1.00 0.00 C ATOM 236 C VAL A 18 -3.356 7.493 -1.544 1.00 0.00 C ATOM 237 O VAL A 18 -3.604 7.922 -2.664 1.00 0.00 O ATOM 238 CB VAL A 18 -2.056 5.361 -1.275 1.00 0.00 C ATOM 239 CG1 VAL A 18 -0.649 4.784 -1.131 1.00 0.00 C ATOM 240 CG2 VAL A 18 -2.931 4.844 -0.134 1.00 0.00 C ATOM 0 H VAL A 18 -1.413 6.701 0.777 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.313 7.224 -2.018 1.00 0.00 H new ATOM 0 HB VAL A 18 -2.484 5.050 -2.228 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.697 3.695 -1.160 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -0.024 5.141 -1.949 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.220 5.103 -0.181 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -2.970 3.755 -0.170 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.510 5.161 0.820 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -3.939 5.246 -0.237 1.00 0.00 H new ATOM 250 N GLU A 19 -4.241 7.525 -0.559 1.00 0.00 N ATOM 251 CA GLU A 19 -5.582 8.039 -0.794 1.00 0.00 C ATOM 252 C GLU A 19 -5.493 9.491 -1.204 1.00 0.00 C ATOM 253 O GLU A 19 -6.387 10.022 -1.861 1.00 0.00 O ATOM 254 CB GLU A 19 -6.419 7.988 0.483 1.00 0.00 C ATOM 255 CG GLU A 19 -6.713 6.557 0.940 1.00 0.00 C ATOM 256 CD GLU A 19 -7.550 6.609 2.221 1.00 0.00 C ATOM 257 OE1 GLU A 19 -7.772 7.711 2.728 1.00 0.00 O ATOM 258 OE2 GLU A 19 -7.969 5.572 2.672 1.00 0.00 O ATOM 0 H GLU A 19 -4.061 7.208 0.393 1.00 0.00 H new ATOM 0 HA GLU A 19 -6.043 7.427 -1.569 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -5.894 8.518 1.278 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -7.360 8.513 0.317 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -7.249 6.015 0.161 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -5.782 6.019 1.119 1.00 0.00 H new ATOM 265 N LYS A 20 -4.551 10.179 -0.590 1.00 0.00 N ATOM 266 CA LYS A 20 -4.480 11.618 -0.678 1.00 0.00 C ATOM 267 C LYS A 20 -3.542 12.084 -1.796 1.00 0.00 C ATOM 268 O LYS A 20 -3.494 13.279 -2.111 1.00 0.00 O ATOM 269 CB LYS A 20 -4.055 12.187 0.680 1.00 0.00 C ATOM 270 CG LYS A 20 -4.948 11.575 1.794 1.00 0.00 C ATOM 271 CD LYS A 20 -6.408 12.051 1.660 1.00 0.00 C ATOM 272 CE LYS A 20 -7.359 10.837 1.709 1.00 0.00 C ATOM 273 NZ LYS A 20 -7.142 10.047 2.954 1.00 0.00 N ATOM 0 H LYS A 20 -3.819 9.756 -0.020 1.00 0.00 H new ATOM 0 HA LYS A 20 -5.470 11.997 -0.934 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -3.007 11.958 0.871 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -4.149 13.273 0.678 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -4.910 10.487 1.738 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -4.559 11.857 2.772 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -6.649 12.746 2.464 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -6.540 12.590 0.722 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -8.394 11.177 1.664 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -7.194 10.204 0.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -7.743 9.198 2.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -6.143 9.763 3.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -7.388 10.628 3.781 1.00 0.00 H new ATOM 287 N ASN A 21 -2.847 11.142 -2.437 1.00 0.00 N ATOM 288 CA ASN A 21 -1.954 11.483 -3.554 1.00 0.00 C ATOM 289 C ASN A 21 -2.765 11.885 -4.771 1.00 0.00 C ATOM 290 O ASN A 21 -3.533 11.089 -5.300 1.00 0.00 O ATOM 291 CB ASN A 21 -1.032 10.305 -3.914 1.00 0.00 C ATOM 292 CG ASN A 21 -0.085 10.698 -5.055 1.00 0.00 C ATOM 293 OD1 ASN A 21 -0.525 11.223 -6.080 1.00 0.00 O ATOM 294 ND2 ASN A 21 1.190 10.492 -4.933 1.00 0.00 N ATOM 0 H ASN A 21 -2.882 10.149 -2.208 1.00 0.00 H new ATOM 0 HA ASN A 21 -1.333 12.321 -3.238 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -0.454 10.007 -3.039 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -1.631 9.443 -4.210 1.00 0.00 H new ATOM 0 HD21 ASN A 21 1.825 10.764 -5.684 1.00 0.00 H new ATOM 0 HD22 ASN A 21 1.558 10.058 -4.086 1.00 0.00 H new ATOM 301 N LYS A 22 -2.603 13.125 -5.197 1.00 0.00 N ATOM 302 CA LYS A 22 -3.368 13.672 -6.319 1.00 0.00 C ATOM 303 C LYS A 22 -3.318 12.772 -7.544 1.00 0.00 C ATOM 304 O LYS A 22 -4.338 12.576 -8.232 1.00 0.00 O ATOM 305 CB LYS A 22 -2.885 15.093 -6.668 1.00 0.00 C ATOM 306 CG LYS A 22 -1.445 15.073 -7.228 1.00 0.00 C ATOM 307 CD LYS A 22 -0.455 14.542 -6.173 1.00 0.00 C ATOM 308 CE LYS A 22 0.983 14.725 -6.675 1.00 0.00 C ATOM 309 NZ LYS A 22 1.154 14.026 -7.979 1.00 0.00 N ATOM 0 H LYS A 22 -1.943 13.783 -4.782 1.00 0.00 H new ATOM 0 HA LYS A 22 -4.409 13.724 -6.001 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -3.557 15.538 -7.402 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -2.923 15.721 -5.778 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -1.405 14.446 -8.119 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -1.154 16.078 -7.533 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -0.592 15.074 -5.231 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -0.650 13.488 -5.975 1.00 0.00 H new ATOM 0 HE2 LYS A 22 1.206 15.786 -6.788 1.00 0.00 H new ATOM 0 HE3 LYS A 22 1.687 14.328 -5.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 2.029 13.464 -7.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 0.342 13.398 -8.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 1.211 14.728 -8.744 1.00 0.00 H new ATOM 323 N ASP A 23 -2.154 12.202 -7.814 1.00 0.00 N ATOM 324 CA ASP A 23 -2.026 11.302 -8.940 1.00 0.00 C ATOM 325 C ASP A 23 -2.956 10.132 -8.720 1.00 0.00 C ATOM 326 O ASP A 23 -3.813 9.827 -9.556 1.00 0.00 O ATOM 327 CB ASP A 23 -0.587 10.787 -9.046 1.00 0.00 C ATOM 328 CG ASP A 23 -0.311 10.315 -10.454 1.00 0.00 C ATOM 329 OD1 ASP A 23 -0.560 9.166 -10.743 1.00 0.00 O ATOM 330 OD2 ASP A 23 0.150 11.119 -11.238 1.00 0.00 O ATOM 0 H ASP A 23 -1.299 12.346 -7.276 1.00 0.00 H new ATOM 0 HA ASP A 23 -2.279 11.828 -9.860 1.00 0.00 H new ATOM 0 HB2 ASP A 23 0.112 11.578 -8.775 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -0.432 9.969 -8.342 1.00 0.00 H new ATOM 335 N ILE A 24 -2.844 9.552 -7.544 1.00 0.00 N ATOM 336 CA ILE A 24 -3.686 8.451 -7.131 1.00 0.00 C ATOM 337 C ILE A 24 -5.149 8.887 -7.013 1.00 0.00 C ATOM 338 O ILE A 24 -6.040 8.187 -7.475 1.00 0.00 O ATOM 339 CB ILE A 24 -3.172 7.840 -5.823 1.00 0.00 C ATOM 340 CG1 ILE A 24 -1.810 7.186 -6.080 1.00 0.00 C ATOM 341 CG2 ILE A 24 -4.146 6.763 -5.345 1.00 0.00 C ATOM 342 CD1 ILE A 24 -1.165 6.794 -4.750 1.00 0.00 C ATOM 0 H ILE A 24 -2.160 9.834 -6.842 1.00 0.00 H new ATOM 0 HA ILE A 24 -3.641 7.680 -7.900 1.00 0.00 H new ATOM 0 HB ILE A 24 -3.083 8.621 -5.068 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -1.932 6.304 -6.709 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -1.161 7.876 -6.620 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -3.780 6.329 -4.415 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -5.127 7.208 -5.177 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -4.227 5.983 -6.102 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -0.197 6.329 -4.938 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -1.027 7.684 -4.136 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -1.810 6.089 -4.227 1.00 0.00 H new ATOM 354 N ARG A 25 -5.394 10.068 -6.432 1.00 0.00 N ATOM 355 CA ARG A 25 -6.774 10.547 -6.274 1.00 0.00 C ATOM 356 C ARG A 25 -7.443 10.518 -7.627 1.00 0.00 C ATOM 357 O ARG A 25 -8.570 10.037 -7.783 1.00 0.00 O ATOM 358 CB ARG A 25 -6.779 12.013 -5.810 1.00 0.00 C ATOM 359 CG ARG A 25 -6.327 12.171 -4.348 1.00 0.00 C ATOM 360 CD ARG A 25 -6.324 13.674 -4.009 1.00 0.00 C ATOM 361 NE ARG A 25 -5.833 13.940 -2.655 1.00 0.00 N ATOM 362 CZ ARG A 25 -6.646 14.094 -1.610 1.00 0.00 C ATOM 363 NH1 ARG A 25 -7.930 13.880 -1.738 1.00 0.00 N ATOM 364 NH2 ARG A 25 -6.147 14.446 -0.455 1.00 0.00 N ATOM 0 H ARG A 25 -4.676 10.696 -6.072 1.00 0.00 H new ATOM 0 HA ARG A 25 -7.285 9.917 -5.546 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -6.122 12.597 -6.455 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -7.783 12.423 -5.923 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -6.999 11.632 -3.681 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -5.332 11.747 -4.209 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -5.701 14.205 -4.729 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -7.335 14.068 -4.110 1.00 0.00 H new ATOM 0 HE ARG A 25 -4.826 14.010 -2.505 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -8.312 13.594 -2.640 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -8.549 13.999 -0.936 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -5.143 14.600 -0.359 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -6.761 14.566 0.351 1.00 0.00 H new ATOM 378 N SER A 26 -6.707 10.979 -8.604 1.00 0.00 N ATOM 379 CA SER A 26 -7.164 10.976 -9.969 1.00 0.00 C ATOM 380 C SER A 26 -7.396 9.534 -10.429 1.00 0.00 C ATOM 381 O SER A 26 -8.429 9.218 -11.024 1.00 0.00 O ATOM 382 CB SER A 26 -6.101 11.645 -10.822 1.00 0.00 C ATOM 383 OG SER A 26 -5.768 12.917 -10.245 1.00 0.00 O ATOM 0 H SER A 26 -5.773 11.368 -8.476 1.00 0.00 H new ATOM 0 HA SER A 26 -8.105 11.518 -10.062 1.00 0.00 H new ATOM 0 HB2 SER A 26 -5.214 11.015 -10.880 1.00 0.00 H new ATOM 0 HB3 SER A 26 -6.465 11.778 -11.841 1.00 0.00 H new ATOM 0 HG SER A 26 -4.933 12.838 -9.738 1.00 0.00 H new ATOM 389 N LEU A 27 -6.470 8.646 -10.069 1.00 0.00 N ATOM 390 CA LEU A 27 -6.607 7.220 -10.373 1.00 0.00 C ATOM 391 C LEU A 27 -7.805 6.641 -9.639 1.00 0.00 C ATOM 392 O LEU A 27 -8.537 5.808 -10.176 1.00 0.00 O ATOM 393 CB LEU A 27 -5.340 6.443 -9.989 1.00 0.00 C ATOM 394 CG LEU A 27 -4.159 6.885 -10.868 1.00 0.00 C ATOM 395 CD1 LEU A 27 -2.875 6.182 -10.414 1.00 0.00 C ATOM 396 CD2 LEU A 27 -4.435 6.545 -12.333 1.00 0.00 C ATOM 0 H LEU A 27 -5.616 8.888 -9.566 1.00 0.00 H new ATOM 0 HA LEU A 27 -6.756 7.121 -11.448 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -5.105 6.613 -8.938 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -5.511 5.373 -10.108 1.00 0.00 H new ATOM 0 HG LEU A 27 -4.035 7.963 -10.768 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -2.044 6.501 -11.043 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.666 6.441 -9.376 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.001 5.103 -10.500 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.591 6.863 -12.945 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.574 5.469 -12.437 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.337 7.060 -12.662 1.00 0.00 H new ATOM 408 N LEU A 28 -7.993 7.086 -8.403 1.00 0.00 N ATOM 409 CA LEU A 28 -9.074 6.599 -7.564 1.00 0.00 C ATOM 410 C LEU A 28 -10.395 7.200 -8.015 1.00 0.00 C ATOM 411 O LEU A 28 -11.454 6.909 -7.433 1.00 0.00 O ATOM 412 CB LEU A 28 -8.821 6.956 -6.078 1.00 0.00 C ATOM 413 CG LEU A 28 -7.553 6.263 -5.552 1.00 0.00 C ATOM 414 CD1 LEU A 28 -7.311 6.681 -4.101 1.00 0.00 C ATOM 415 CD2 LEU A 28 -7.708 4.741 -5.612 1.00 0.00 C ATOM 0 H LEU A 28 -7.403 7.790 -7.959 1.00 0.00 H new ATOM 0 HA LEU A 28 -9.117 5.514 -7.660 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -8.720 8.036 -5.972 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -9.679 6.656 -5.477 1.00 0.00 H new ATOM 0 HG LEU A 28 -6.710 6.560 -6.176 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -6.413 6.191 -3.726 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -7.182 7.762 -4.050 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -8.165 6.388 -3.491 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -6.801 4.268 -5.236 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -8.557 4.437 -4.999 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -7.877 4.433 -6.644 1.00 0.00 H new ATOM 427 N GLN A 29 -10.333 8.049 -9.037 1.00 0.00 N ATOM 428 CA GLN A 29 -11.520 8.709 -9.557 1.00 0.00 C ATOM 429 C GLN A 29 -12.213 9.427 -8.413 1.00 0.00 C ATOM 430 O GLN A 29 -13.409 9.237 -8.177 1.00 0.00 O ATOM 431 CB GLN A 29 -12.490 7.678 -10.160 1.00 0.00 C ATOM 432 CG GLN A 29 -11.730 6.586 -10.923 1.00 0.00 C ATOM 433 CD GLN A 29 -10.939 7.173 -12.076 1.00 0.00 C ATOM 434 OE1 GLN A 29 -11.493 7.891 -12.910 1.00 0.00 O ATOM 435 NE2 GLN A 29 -9.679 6.909 -12.176 1.00 0.00 N ATOM 0 H GLN A 29 -9.469 8.295 -9.521 1.00 0.00 H new ATOM 0 HA GLN A 29 -11.227 9.413 -10.335 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -13.084 7.225 -9.366 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -13.186 8.179 -10.833 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -11.055 6.066 -10.243 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -12.435 5.845 -11.301 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -9.226 6.314 -11.482 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -9.137 7.296 -12.949 1.00 0.00 H new ATOM 444 N CYS A 30 -11.425 10.129 -7.615 1.00 0.00 N ATOM 445 CA CYS A 30 -11.929 10.773 -6.414 1.00 0.00 C ATOM 446 C CYS A 30 -13.026 11.800 -6.737 1.00 0.00 C ATOM 447 O CYS A 30 -12.893 12.992 -6.437 1.00 0.00 O ATOM 448 CB CYS A 30 -10.779 11.406 -5.618 1.00 0.00 C ATOM 449 SG CYS A 30 -11.156 11.328 -3.848 1.00 0.00 S ATOM 0 H CYS A 30 -10.428 10.268 -7.779 1.00 0.00 H new ATOM 0 HA CYS A 30 -12.389 10.006 -5.791 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -9.847 10.881 -5.826 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -10.637 12.442 -5.925 1.00 0.00 H new ATOM 0 HG CYS A 30 -10.182 11.862 -3.173 1.00 0.00 H new ATOM 455 N ASP A 31 -14.107 11.327 -7.338 1.00 0.00 N ATOM 456 CA ASP A 31 -15.256 12.166 -7.675 1.00 0.00 C ATOM 457 C ASP A 31 -16.193 12.232 -6.485 1.00 0.00 C ATOM 458 O ASP A 31 -16.484 11.201 -5.874 1.00 0.00 O ATOM 459 CB ASP A 31 -16.018 11.553 -8.859 1.00 0.00 C ATOM 460 CG ASP A 31 -15.120 11.429 -10.071 1.00 0.00 C ATOM 461 OD1 ASP A 31 -14.412 12.370 -10.364 1.00 0.00 O ATOM 462 OD2 ASP A 31 -15.148 10.392 -10.697 1.00 0.00 O ATOM 0 H ASP A 31 -14.216 10.349 -7.608 1.00 0.00 H new ATOM 0 HA ASP A 31 -14.904 13.164 -7.937 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -16.400 10.570 -8.582 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -16.881 12.173 -9.102 1.00 0.00 H new ATOM 467 N ASP A 32 -16.708 13.417 -6.187 1.00 0.00 N ATOM 468 CA ASP A 32 -17.641 13.583 -5.076 1.00 0.00 C ATOM 469 C ASP A 32 -18.744 14.562 -5.429 1.00 0.00 C ATOM 470 O ASP A 32 -18.478 15.745 -5.650 1.00 0.00 O ATOM 471 CB ASP A 32 -16.902 14.070 -3.816 1.00 0.00 C ATOM 472 CG ASP A 32 -16.223 12.907 -3.119 1.00 0.00 C ATOM 473 OD1 ASP A 32 -16.916 12.069 -2.585 1.00 0.00 O ATOM 474 OD2 ASP A 32 -15.012 12.862 -3.125 1.00 0.00 O ATOM 0 H ASP A 32 -16.498 14.276 -6.696 1.00 0.00 H new ATOM 0 HA ASP A 32 -18.090 12.610 -4.875 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -16.161 14.822 -4.089 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -17.606 14.549 -3.136 1.00 0.00 H new ATOM 479 N GLY A 33 -19.985 14.099 -5.381 1.00 0.00 N ATOM 480 CA GLY A 33 -21.146 14.969 -5.600 1.00 0.00 C ATOM 481 C GLY A 33 -21.807 14.717 -6.948 1.00 0.00 C ATOM 482 O GLY A 33 -23.028 14.677 -7.041 1.00 0.00 O ATOM 0 H GLY A 33 -20.220 13.125 -5.192 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -21.874 14.808 -4.805 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -20.833 16.011 -5.540 1.00 0.00 H new ATOM 486 N ILE A 34 -21.006 14.492 -7.981 1.00 0.00 N ATOM 487 CA ILE A 34 -21.545 14.243 -9.322 1.00 0.00 C ATOM 488 C ILE A 34 -22.378 12.964 -9.346 1.00 0.00 C ATOM 489 O ILE A 34 -23.477 12.936 -9.908 1.00 0.00 O ATOM 490 CB ILE A 34 -20.393 14.169 -10.343 1.00 0.00 C ATOM 491 CG1 ILE A 34 -20.930 13.849 -11.750 1.00 0.00 C ATOM 492 CG2 ILE A 34 -19.380 13.107 -9.924 1.00 0.00 C ATOM 493 CD1 ILE A 34 -21.832 14.980 -12.238 1.00 0.00 C ATOM 0 H ILE A 34 -19.988 14.476 -7.923 1.00 0.00 H new ATOM 0 HA ILE A 34 -22.202 15.069 -9.594 1.00 0.00 H new ATOM 0 HB ILE A 34 -19.901 15.141 -10.369 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -20.099 13.712 -12.442 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -21.487 12.912 -11.731 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -18.572 13.066 -10.655 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -18.972 13.360 -8.945 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -19.872 12.136 -9.872 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -22.206 14.743 -13.234 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -22.672 15.097 -11.553 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -21.263 15.909 -12.276 1.00 0.00 H new ATOM 505 N THR A 35 -21.884 11.954 -8.666 1.00 0.00 N ATOM 506 CA THR A 35 -22.585 10.689 -8.516 1.00 0.00 C ATOM 507 C THR A 35 -22.832 10.457 -7.031 1.00 0.00 C ATOM 508 O THR A 35 -22.702 9.334 -6.529 1.00 0.00 O ATOM 509 CB THR A 35 -21.730 9.546 -9.135 1.00 0.00 C ATOM 510 OG1 THR A 35 -22.132 8.272 -8.633 1.00 0.00 O ATOM 511 CG2 THR A 35 -20.244 9.768 -8.831 1.00 0.00 C ATOM 0 H THR A 35 -20.979 11.983 -8.197 1.00 0.00 H new ATOM 0 HA THR A 35 -23.542 10.708 -9.038 1.00 0.00 H new ATOM 0 HB THR A 35 -21.887 9.561 -10.214 1.00 0.00 H new ATOM 0 HG1 THR A 35 -22.355 8.351 -7.682 1.00 0.00 H new ATOM 0 HG21 THR A 35 -19.658 8.961 -9.270 1.00 0.00 H new ATOM 0 HG22 THR A 35 -19.924 10.720 -9.254 1.00 0.00 H new ATOM 0 HG23 THR A 35 -20.091 9.781 -7.752 1.00 0.00 H new ATOM 519 N GLY A 36 -22.986 11.557 -6.304 1.00 0.00 N ATOM 520 CA GLY A 36 -23.015 11.507 -4.861 1.00 0.00 C ATOM 521 C GLY A 36 -21.593 11.401 -4.382 1.00 0.00 C ATOM 522 O GLY A 36 -20.658 11.674 -5.146 1.00 0.00 O ATOM 0 H GLY A 36 -23.092 12.492 -6.698 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -23.490 12.401 -4.456 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -23.599 10.653 -4.519 1.00 0.00 H new ATOM 526 N LYS A 37 -21.412 11.030 -3.144 1.00 0.00 N ATOM 527 CA LYS A 37 -20.082 10.863 -2.617 1.00 0.00 C ATOM 528 C LYS A 37 -19.848 9.418 -2.203 1.00 0.00 C ATOM 529 O LYS A 37 -20.508 8.909 -1.280 1.00 0.00 O ATOM 530 CB LYS A 37 -19.882 11.811 -1.434 1.00 0.00 C ATOM 531 CG LYS A 37 -19.631 13.239 -1.961 1.00 0.00 C ATOM 532 CD LYS A 37 -20.926 14.070 -1.935 1.00 0.00 C ATOM 533 CE LYS A 37 -21.375 14.306 -0.486 1.00 0.00 C ATOM 534 NZ LYS A 37 -22.218 15.526 -0.415 1.00 0.00 N ATOM 0 H LYS A 37 -22.164 10.838 -2.482 1.00 0.00 H new ATOM 0 HA LYS A 37 -19.355 11.107 -3.391 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -20.761 11.798 -0.790 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -19.038 11.481 -0.828 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -18.869 13.727 -1.353 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -19.245 13.192 -2.979 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -20.764 15.026 -2.433 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -21.710 13.552 -2.487 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -21.935 13.444 -0.124 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -20.505 14.416 0.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -22.520 15.683 0.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -21.670 16.346 -0.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -23.056 15.405 -1.019 1.00 0.00 H new ATOM 548 N GLU A 38 -18.845 8.795 -2.804 1.00 0.00 N ATOM 549 CA GLU A 38 -18.432 7.454 -2.422 1.00 0.00 C ATOM 550 C GLU A 38 -17.442 7.537 -1.289 1.00 0.00 C ATOM 551 O GLU A 38 -16.820 8.581 -1.081 1.00 0.00 O ATOM 552 CB GLU A 38 -17.822 6.689 -3.603 1.00 0.00 C ATOM 553 CG GLU A 38 -18.668 5.452 -3.942 1.00 0.00 C ATOM 554 CD GLU A 38 -19.684 5.763 -5.025 1.00 0.00 C ATOM 555 OE1 GLU A 38 -20.096 6.893 -5.126 1.00 0.00 O ATOM 556 OE2 GLU A 38 -20.037 4.859 -5.745 1.00 0.00 O ATOM 0 H GLU A 38 -18.299 9.201 -3.564 1.00 0.00 H new ATOM 0 HA GLU A 38 -19.317 6.905 -2.100 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -17.759 7.343 -4.473 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -16.804 6.384 -3.359 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -18.017 4.642 -4.272 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -19.182 5.103 -3.046 1.00 0.00 H new ATOM 563 N ARG A 39 -17.278 6.451 -0.575 1.00 0.00 N ATOM 564 CA ARG A 39 -16.360 6.427 0.544 1.00 0.00 C ATOM 565 C ARG A 39 -15.092 5.672 0.214 1.00 0.00 C ATOM 566 O ARG A 39 -15.135 4.542 -0.280 1.00 0.00 O ATOM 567 CB ARG A 39 -17.022 5.807 1.774 1.00 0.00 C ATOM 568 CG ARG A 39 -18.221 6.655 2.194 1.00 0.00 C ATOM 569 CD ARG A 39 -17.740 8.036 2.641 1.00 0.00 C ATOM 570 NE ARG A 39 -18.850 8.811 3.184 1.00 0.00 N ATOM 571 CZ ARG A 39 -18.678 10.059 3.605 1.00 0.00 C ATOM 572 NH1 ARG A 39 -17.490 10.596 3.579 1.00 0.00 N ATOM 573 NH2 ARG A 39 -19.693 10.746 4.032 1.00 0.00 N ATOM 0 H ARG A 39 -17.766 5.572 -0.746 1.00 0.00 H new ATOM 0 HA ARG A 39 -16.094 7.461 0.761 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -17.344 4.789 1.552 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -16.305 5.743 2.592 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -18.919 6.753 1.363 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -18.759 6.166 3.006 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -16.960 7.930 3.395 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -17.298 8.565 1.797 1.00 0.00 H new ATOM 0 HE ARG A 39 -19.776 8.387 3.242 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -16.694 10.058 3.236 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -17.356 11.554 3.902 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -20.623 10.328 4.044 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -19.561 11.704 4.355 1.00 0.00 H new ATOM 587 N LEU A 40 -13.971 6.271 0.555 1.00 0.00 N ATOM 588 CA LEU A 40 -12.680 5.623 0.410 1.00 0.00 C ATOM 589 C LEU A 40 -12.584 4.516 1.446 1.00 0.00 C ATOM 590 O LEU A 40 -12.869 4.741 2.629 1.00 0.00 O ATOM 591 CB LEU A 40 -11.570 6.642 0.691 1.00 0.00 C ATOM 592 CG LEU A 40 -11.615 7.778 -0.343 1.00 0.00 C ATOM 593 CD1 LEU A 40 -11.002 9.034 0.270 1.00 0.00 C ATOM 594 CD2 LEU A 40 -10.799 7.382 -1.577 1.00 0.00 C ATOM 0 H LEU A 40 -13.926 7.215 0.938 1.00 0.00 H new ATOM 0 HA LEU A 40 -12.574 5.223 -0.598 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -11.687 7.050 1.695 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -10.598 6.150 0.658 1.00 0.00 H new ATOM 0 HG LEU A 40 -12.649 7.966 -0.631 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -11.030 9.845 -0.458 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -11.569 9.321 1.155 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -9.968 8.834 0.551 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -10.832 8.189 -2.309 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -9.765 7.198 -1.286 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -11.219 6.477 -2.016 1.00 0.00 H new ATOM 606 N LYS A 41 -12.163 3.344 1.036 1.00 0.00 N ATOM 607 CA LYS A 41 -11.976 2.246 1.977 1.00 0.00 C ATOM 608 C LYS A 41 -10.662 1.559 1.713 1.00 0.00 C ATOM 609 O LYS A 41 -10.247 1.460 0.567 1.00 0.00 O ATOM 610 CB LYS A 41 -13.137 1.241 1.902 1.00 0.00 C ATOM 611 CG LYS A 41 -14.453 1.921 2.330 1.00 0.00 C ATOM 612 CD LYS A 41 -14.788 1.549 3.781 1.00 0.00 C ATOM 613 CE LYS A 41 -13.809 2.237 4.747 1.00 0.00 C ATOM 614 NZ LYS A 41 -13.843 3.713 4.549 1.00 0.00 N ATOM 0 H LYS A 41 -11.942 3.118 0.066 1.00 0.00 H new ATOM 0 HA LYS A 41 -11.963 2.660 2.985 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -13.231 0.856 0.886 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -12.932 0.388 2.548 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -14.360 3.003 2.235 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -15.263 1.611 1.670 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -15.810 1.848 4.014 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -14.736 0.468 3.908 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -14.072 1.995 5.777 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -12.799 1.863 4.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -13.355 4.181 5.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -13.367 3.955 3.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -14.831 4.036 4.512 1.00 0.00 H new ATOM 628 N ALA A 42 -10.016 1.077 2.767 1.00 0.00 N ATOM 629 CA ALA A 42 -8.741 0.383 2.634 1.00 0.00 C ATOM 630 C ALA A 42 -8.717 -0.868 3.502 1.00 0.00 C ATOM 631 O ALA A 42 -9.160 -0.838 4.654 1.00 0.00 O ATOM 632 CB ALA A 42 -7.585 1.310 3.008 1.00 0.00 C ATOM 0 H ALA A 42 -10.355 1.154 3.726 1.00 0.00 H new ATOM 0 HA ALA A 42 -8.623 0.083 1.593 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.641 0.775 2.903 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -7.586 2.177 2.348 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -7.702 1.640 4.040 1.00 0.00 H new ATOM 638 N TYR A 43 -8.264 -1.974 2.930 1.00 0.00 N ATOM 639 CA TYR A 43 -8.259 -3.264 3.626 1.00 0.00 C ATOM 640 C TYR A 43 -7.265 -4.242 3.013 1.00 0.00 C ATOM 641 O TYR A 43 -6.797 -4.046 1.891 1.00 0.00 O ATOM 642 CB TYR A 43 -9.664 -3.874 3.637 1.00 0.00 C ATOM 643 CG TYR A 43 -10.288 -3.729 2.272 1.00 0.00 C ATOM 644 CD1 TYR A 43 -9.846 -4.520 1.207 1.00 0.00 C ATOM 645 CD2 TYR A 43 -11.319 -2.809 2.075 1.00 0.00 C ATOM 646 CE1 TYR A 43 -10.431 -4.393 -0.048 1.00 0.00 C ATOM 647 CE2 TYR A 43 -11.903 -2.680 0.817 1.00 0.00 C ATOM 648 CZ TYR A 43 -11.459 -3.475 -0.247 1.00 0.00 C ATOM 649 OH TYR A 43 -12.038 -3.361 -1.488 1.00 0.00 O ATOM 0 H TYR A 43 -7.892 -2.009 1.981 1.00 0.00 H new ATOM 0 HA TYR A 43 -7.943 -3.075 4.652 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -9.612 -4.927 3.915 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -10.282 -3.377 4.385 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -9.048 -5.232 1.360 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -11.663 -2.198 2.896 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -10.088 -5.006 -0.868 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -12.699 -1.966 0.662 1.00 0.00 H new ATOM 0 HH TYR A 43 -13.014 -3.356 -1.395 1.00 0.00 H new ATOM 659 N GLY A 44 -7.001 -5.339 3.722 1.00 0.00 N ATOM 660 CA GLY A 44 -6.136 -6.375 3.210 1.00 0.00 C ATOM 661 C GLY A 44 -6.768 -6.988 1.984 1.00 0.00 C ATOM 662 O GLY A 44 -7.995 -7.031 1.871 1.00 0.00 O ATOM 0 H GLY A 44 -7.379 -5.524 4.651 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -5.159 -5.960 2.961 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -5.974 -7.139 3.971 1.00 0.00 H new ATOM 666 N GLU A 45 -5.940 -7.433 1.069 1.00 0.00 N ATOM 667 CA GLU A 45 -6.381 -8.016 -0.193 1.00 0.00 C ATOM 668 C GLU A 45 -7.777 -8.669 -0.057 1.00 0.00 C ATOM 669 O GLU A 45 -7.912 -9.735 0.542 1.00 0.00 O ATOM 670 CB GLU A 45 -5.366 -9.070 -0.593 1.00 0.00 C ATOM 671 CG GLU A 45 -3.954 -8.480 -0.702 1.00 0.00 C ATOM 672 CD GLU A 45 -3.012 -9.563 -1.211 1.00 0.00 C ATOM 673 OE1 GLU A 45 -3.162 -9.951 -2.353 1.00 0.00 O ATOM 674 OE2 GLU A 45 -2.175 -10.015 -0.451 1.00 0.00 O ATOM 0 H GLU A 45 -4.926 -7.404 1.174 1.00 0.00 H new ATOM 0 HA GLU A 45 -6.457 -7.232 -0.947 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -5.369 -9.876 0.141 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -5.653 -9.508 -1.549 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -3.952 -7.627 -1.381 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -3.621 -8.115 0.269 1.00 0.00 H new ATOM 881 N PRO A 57 -3.191 -9.787 5.299 1.00 0.00 N ATOM 882 CA PRO A 57 -4.117 -8.708 5.732 1.00 0.00 C ATOM 883 C PRO A 57 -3.276 -7.471 6.013 1.00 0.00 C ATOM 884 O PRO A 57 -2.061 -7.512 5.808 1.00 0.00 O ATOM 885 CB PRO A 57 -4.771 -9.246 7.009 1.00 0.00 C ATOM 886 CG PRO A 57 -3.813 -10.261 7.534 1.00 0.00 C ATOM 887 CD PRO A 57 -3.128 -10.871 6.306 1.00 0.00 C ATOM 0 HA PRO A 57 -4.875 -8.440 4.996 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -4.938 -8.449 7.733 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -5.743 -9.692 6.797 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -3.083 -9.801 8.200 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -4.333 -11.026 8.111 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -2.099 -11.158 6.522 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -3.644 -11.768 5.963 1.00 0.00 H new ATOM 895 N ILE A 58 -3.886 -6.358 6.394 1.00 0.00 N ATOM 896 CA ILE A 58 -3.091 -5.160 6.638 1.00 0.00 C ATOM 897 C ILE A 58 -2.056 -5.430 7.746 1.00 0.00 C ATOM 898 O ILE A 58 -2.204 -4.978 8.890 1.00 0.00 O ATOM 899 CB ILE A 58 -3.983 -3.965 7.009 1.00 0.00 C ATOM 900 CG1 ILE A 58 -4.926 -3.647 5.846 1.00 0.00 C ATOM 901 CG2 ILE A 58 -3.110 -2.733 7.276 1.00 0.00 C ATOM 902 CD1 ILE A 58 -5.986 -2.658 6.315 1.00 0.00 C ATOM 0 H ILE A 58 -4.891 -6.257 6.537 1.00 0.00 H new ATOM 0 HA ILE A 58 -2.565 -4.906 5.718 1.00 0.00 H new ATOM 0 HB ILE A 58 -4.558 -4.217 7.900 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -4.364 -3.228 5.011 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -5.398 -4.561 5.485 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -3.745 -1.887 7.539 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -2.426 -2.943 8.099 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -2.537 -2.492 6.381 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -6.660 -2.429 5.490 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -6.554 -3.095 7.136 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -5.504 -1.742 6.655 1.00 0.00 H new ATOM 914 N VAL A 59 -1.025 -6.173 7.384 1.00 0.00 N ATOM 915 CA VAL A 59 0.067 -6.522 8.263 1.00 0.00 C ATOM 916 C VAL A 59 1.368 -6.376 7.503 1.00 0.00 C ATOM 917 O VAL A 59 1.391 -6.510 6.280 1.00 0.00 O ATOM 918 CB VAL A 59 -0.065 -7.987 8.747 1.00 0.00 C ATOM 919 CG1 VAL A 59 -1.324 -8.159 9.586 1.00 0.00 C ATOM 920 CG2 VAL A 59 -0.128 -8.948 7.546 1.00 0.00 C ATOM 0 H VAL A 59 -0.926 -6.558 6.445 1.00 0.00 H new ATOM 0 HA VAL A 59 0.047 -5.861 9.130 1.00 0.00 H new ATOM 0 HB VAL A 59 0.810 -8.221 9.353 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -1.401 -9.194 9.918 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -1.275 -7.502 10.454 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -2.198 -7.904 8.987 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -0.221 -9.973 7.905 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -0.990 -8.701 6.927 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.783 -8.851 6.955 1.00 0.00 H new ATOM 930 N SER A 60 2.457 -6.305 8.223 1.00 0.00 N ATOM 931 CA SER A 60 3.753 -6.401 7.599 1.00 0.00 C ATOM 932 C SER A 60 4.337 -7.749 7.950 1.00 0.00 C ATOM 933 O SER A 60 4.704 -7.977 9.109 1.00 0.00 O ATOM 934 CB SER A 60 4.688 -5.309 8.122 1.00 0.00 C ATOM 935 OG SER A 60 4.087 -4.022 8.002 1.00 0.00 O ATOM 0 H SER A 60 2.474 -6.182 9.235 1.00 0.00 H new ATOM 0 HA SER A 60 3.647 -6.281 6.521 1.00 0.00 H new ATOM 0 HB2 SER A 60 4.933 -5.504 9.166 1.00 0.00 H new ATOM 0 HB3 SER A 60 5.625 -5.330 7.566 1.00 0.00 H new ATOM 0 HG SER A 60 4.752 -3.330 8.202 1.00 0.00 H new ATOM 941 N THR A 61 4.460 -8.637 6.978 1.00 0.00 N ATOM 942 CA THR A 61 5.062 -9.917 7.269 1.00 0.00 C ATOM 943 C THR A 61 6.535 -9.682 7.534 1.00 0.00 C ATOM 944 O THR A 61 7.325 -9.574 6.606 1.00 0.00 O ATOM 945 CB THR A 61 4.855 -10.892 6.098 1.00 0.00 C ATOM 946 OG1 THR A 61 5.516 -10.404 4.931 1.00 0.00 O ATOM 947 CG2 THR A 61 3.363 -11.024 5.795 1.00 0.00 C ATOM 0 H THR A 61 4.161 -8.499 6.013 1.00 0.00 H new ATOM 0 HA THR A 61 4.595 -10.369 8.144 1.00 0.00 H new ATOM 0 HB THR A 61 5.268 -11.862 6.375 1.00 0.00 H new ATOM 0 HG1 THR A 61 6.441 -10.169 5.153 1.00 0.00 H new ATOM 0 HG21 THR A 61 3.220 -11.716 4.965 1.00 0.00 H new ATOM 0 HG22 THR A 61 2.845 -11.403 6.676 1.00 0.00 H new ATOM 0 HG23 THR A 61 2.958 -10.048 5.528 1.00 0.00 H new ATOM 955 N LYS A 62 6.856 -9.402 8.783 1.00 0.00 N ATOM 956 CA LYS A 62 8.185 -8.935 9.128 1.00 0.00 C ATOM 957 C LYS A 62 9.241 -10.004 8.924 1.00 0.00 C ATOM 958 O LYS A 62 9.066 -11.148 9.351 1.00 0.00 O ATOM 959 CB LYS A 62 8.221 -8.419 10.567 1.00 0.00 C ATOM 960 CG LYS A 62 7.112 -7.369 10.770 1.00 0.00 C ATOM 961 CD LYS A 62 7.664 -6.182 11.575 1.00 0.00 C ATOM 962 CE LYS A 62 6.519 -5.431 12.278 1.00 0.00 C ATOM 963 NZ LYS A 62 5.865 -6.316 13.277 1.00 0.00 N ATOM 0 H LYS A 62 6.217 -9.489 9.573 1.00 0.00 H new ATOM 0 HA LYS A 62 8.419 -8.114 8.451 1.00 0.00 H new ATOM 0 HB2 LYS A 62 8.084 -9.246 11.264 1.00 0.00 H new ATOM 0 HB3 LYS A 62 9.195 -7.979 10.782 1.00 0.00 H new ATOM 0 HG2 LYS A 62 6.742 -7.025 9.804 1.00 0.00 H new ATOM 0 HG3 LYS A 62 6.267 -7.815 11.294 1.00 0.00 H new ATOM 0 HD2 LYS A 62 8.382 -6.538 12.314 1.00 0.00 H new ATOM 0 HD3 LYS A 62 8.200 -5.503 10.912 1.00 0.00 H new ATOM 0 HE2 LYS A 62 6.907 -4.539 12.770 1.00 0.00 H new ATOM 0 HE3 LYS A 62 5.787 -5.097 11.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 5.885 -5.860 14.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 4.878 -6.486 12.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 6.373 -7.222 13.323 1.00 0.00 H new ATOM 977 N LYS A 63 10.359 -9.604 8.335 1.00 0.00 N ATOM 978 CA LYS A 63 11.508 -10.486 8.150 1.00 0.00 C ATOM 979 C LYS A 63 12.766 -9.718 8.527 1.00 0.00 C ATOM 980 O LYS A 63 12.825 -8.510 8.313 1.00 0.00 O ATOM 981 CB LYS A 63 11.638 -10.907 6.684 1.00 0.00 C ATOM 982 CG LYS A 63 10.332 -11.542 6.172 1.00 0.00 C ATOM 983 CD LYS A 63 10.587 -12.313 4.850 1.00 0.00 C ATOM 984 CE LYS A 63 11.588 -11.557 3.940 1.00 0.00 C ATOM 985 NZ LYS A 63 11.011 -11.345 2.588 1.00 0.00 N ATOM 0 H LYS A 63 10.497 -8.661 7.972 1.00 0.00 H new ATOM 0 HA LYS A 63 11.375 -11.373 8.770 1.00 0.00 H new ATOM 0 HB2 LYS A 63 11.888 -10.039 6.074 1.00 0.00 H new ATOM 0 HB3 LYS A 63 12.458 -11.618 6.578 1.00 0.00 H new ATOM 0 HG2 LYS A 63 9.931 -12.221 6.925 1.00 0.00 H new ATOM 0 HG3 LYS A 63 9.583 -10.767 6.010 1.00 0.00 H new ATOM 0 HD2 LYS A 63 10.976 -13.306 5.075 1.00 0.00 H new ATOM 0 HD3 LYS A 63 9.645 -12.452 4.320 1.00 0.00 H new ATOM 0 HE2 LYS A 63 11.840 -10.596 4.388 1.00 0.00 H new ATOM 0 HE3 LYS A 63 12.515 -12.125 3.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 11.613 -11.807 1.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 10.055 -11.754 2.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 10.960 -10.326 2.388 1.00 0.00 H new ATOM 999 N LEU A 64 13.795 -10.415 8.978 1.00 0.00 N ATOM 1000 CA LEU A 64 15.074 -9.765 9.265 1.00 0.00 C ATOM 1001 C LEU A 64 15.958 -9.887 8.034 1.00 0.00 C ATOM 1002 O LEU A 64 16.389 -10.996 7.681 1.00 0.00 O ATOM 1003 CB LEU A 64 15.758 -10.459 10.462 1.00 0.00 C ATOM 1004 CG LEU A 64 16.795 -9.530 11.145 1.00 0.00 C ATOM 1005 CD1 LEU A 64 17.559 -8.683 10.125 1.00 0.00 C ATOM 1006 CD2 LEU A 64 16.099 -8.615 12.151 1.00 0.00 C ATOM 0 H LEU A 64 13.777 -11.420 9.154 1.00 0.00 H new ATOM 0 HA LEU A 64 14.912 -8.716 9.513 1.00 0.00 H new ATOM 0 HB2 LEU A 64 15.003 -10.759 11.189 1.00 0.00 H new ATOM 0 HB3 LEU A 64 16.252 -11.369 10.122 1.00 0.00 H new ATOM 0 HG LEU A 64 17.514 -10.167 11.661 1.00 0.00 H new ATOM 0 HD11 LEU A 64 18.275 -8.046 10.644 1.00 0.00 H new ATOM 0 HD12 LEU A 64 18.090 -9.337 9.433 1.00 0.00 H new ATOM 0 HD13 LEU A 64 16.857 -8.061 9.570 1.00 0.00 H new ATOM 0 HD21 LEU A 64 16.837 -7.967 12.625 1.00 0.00 H new ATOM 0 HD22 LEU A 64 15.358 -8.005 11.635 1.00 0.00 H new ATOM 0 HD23 LEU A 64 15.605 -9.220 12.912 1.00 0.00 H new ATOM 1018 N ASP A 65 16.187 -8.772 7.346 1.00 0.00 N ATOM 1019 CA ASP A 65 16.966 -8.788 6.119 1.00 0.00 C ATOM 1020 C ASP A 65 18.454 -8.841 6.341 1.00 0.00 C ATOM 1021 O ASP A 65 19.000 -8.122 7.178 1.00 0.00 O ATOM 1022 CB ASP A 65 16.645 -7.604 5.183 1.00 0.00 C ATOM 1023 CG ASP A 65 15.441 -7.882 4.290 1.00 0.00 C ATOM 1024 OD1 ASP A 65 14.934 -8.980 4.313 1.00 0.00 O ATOM 1025 OD2 ASP A 65 15.075 -6.998 3.539 1.00 0.00 O ATOM 0 H ASP A 65 15.844 -7.851 7.619 1.00 0.00 H new ATOM 0 HA ASP A 65 16.660 -9.717 5.638 1.00 0.00 H new ATOM 0 HB2 ASP A 65 16.453 -6.713 5.781 1.00 0.00 H new ATOM 0 HB3 ASP A 65 17.514 -7.390 4.561 1.00 0.00 H new ATOM 1030 N LYS A 66 19.092 -9.540 5.425 1.00 0.00 N ATOM 1031 CA LYS A 66 20.535 -9.594 5.230 1.00 0.00 C ATOM 1032 C LYS A 66 21.245 -8.316 5.706 1.00 0.00 C ATOM 1033 O LYS A 66 22.388 -8.367 6.177 1.00 0.00 O ATOM 1034 CB LYS A 66 20.798 -9.775 3.714 1.00 0.00 C ATOM 1035 CG LYS A 66 20.062 -8.663 2.894 1.00 0.00 C ATOM 1036 CD LYS A 66 18.587 -9.056 2.597 1.00 0.00 C ATOM 1037 CE LYS A 66 17.851 -7.888 1.914 1.00 0.00 C ATOM 1038 NZ LYS A 66 16.428 -8.261 1.682 1.00 0.00 N ATOM 0 H LYS A 66 18.591 -10.122 4.754 1.00 0.00 H new ATOM 0 HA LYS A 66 20.930 -10.421 5.819 1.00 0.00 H new ATOM 0 HB2 LYS A 66 21.869 -9.732 3.517 1.00 0.00 H new ATOM 0 HB3 LYS A 66 20.454 -10.759 3.394 1.00 0.00 H new ATOM 0 HG2 LYS A 66 20.085 -7.725 3.449 1.00 0.00 H new ATOM 0 HG3 LYS A 66 20.590 -8.492 1.956 1.00 0.00 H new ATOM 0 HD2 LYS A 66 18.560 -9.937 1.956 1.00 0.00 H new ATOM 0 HD3 LYS A 66 18.080 -9.322 3.525 1.00 0.00 H new ATOM 0 HE2 LYS A 66 17.906 -6.996 2.538 1.00 0.00 H new ATOM 0 HE3 LYS A 66 18.333 -7.645 0.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 16.265 -8.390 0.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 16.216 -9.148 2.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 15.809 -7.506 2.039 1.00 0.00 H new ATOM 1052 N GLU A 67 20.588 -7.177 5.538 1.00 0.00 N ATOM 1053 CA GLU A 67 21.159 -5.895 5.930 1.00 0.00 C ATOM 1054 C GLU A 67 21.328 -5.814 7.437 1.00 0.00 C ATOM 1055 O GLU A 67 22.220 -5.125 7.936 1.00 0.00 O ATOM 1056 CB GLU A 67 20.284 -4.725 5.444 1.00 0.00 C ATOM 1057 CG GLU A 67 20.358 -4.613 3.915 1.00 0.00 C ATOM 1058 CD GLU A 67 19.468 -3.482 3.409 1.00 0.00 C ATOM 1059 OE1 GLU A 67 18.748 -2.898 4.193 1.00 0.00 O ATOM 1060 OE2 GLU A 67 19.534 -3.201 2.232 1.00 0.00 O ATOM 0 H GLU A 67 19.655 -7.114 5.131 1.00 0.00 H new ATOM 0 HA GLU A 67 22.139 -5.818 5.459 1.00 0.00 H new ATOM 0 HB2 GLU A 67 19.251 -4.879 5.756 1.00 0.00 H new ATOM 0 HB3 GLU A 67 20.620 -3.794 5.902 1.00 0.00 H new ATOM 0 HG2 GLU A 67 21.389 -4.435 3.609 1.00 0.00 H new ATOM 0 HG3 GLU A 67 20.049 -5.555 3.462 1.00 0.00 H new ATOM 1067 N GLY A 68 20.393 -6.409 8.148 1.00 0.00 N ATOM 1068 CA GLY A 68 20.322 -6.295 9.594 1.00 0.00 C ATOM 1069 C GLY A 68 19.159 -5.394 9.939 1.00 0.00 C ATOM 1070 O GLY A 68 19.186 -4.659 10.936 1.00 0.00 O ATOM 0 H GLY A 68 19.658 -6.987 7.741 1.00 0.00 H new ATOM 0 HA2 GLY A 68 20.189 -7.278 10.047 1.00 0.00 H new ATOM 0 HA3 GLY A 68 21.251 -5.885 9.989 1.00 0.00 H new ATOM 1074 N ARG A 69 18.160 -5.429 9.062 1.00 0.00 N ATOM 1075 CA ARG A 69 16.973 -4.608 9.163 1.00 0.00 C ATOM 1076 C ARG A 69 15.758 -5.521 9.111 1.00 0.00 C ATOM 1077 O ARG A 69 15.773 -6.537 8.402 1.00 0.00 O ATOM 1078 CB ARG A 69 16.902 -3.669 7.946 1.00 0.00 C ATOM 1079 CG ARG A 69 18.180 -2.831 7.821 1.00 0.00 C ATOM 1080 CD ARG A 69 18.263 -1.813 8.951 1.00 0.00 C ATOM 1081 NE ARG A 69 19.416 -0.940 8.743 1.00 0.00 N ATOM 1082 CZ ARG A 69 20.117 -0.431 9.758 1.00 0.00 C ATOM 1083 NH1 ARG A 69 19.735 -0.637 10.987 1.00 0.00 N ATOM 1084 NH2 ARG A 69 21.166 0.293 9.520 1.00 0.00 N ATOM 0 H ARG A 69 18.160 -6.043 8.248 1.00 0.00 H new ATOM 0 HA ARG A 69 16.999 -4.032 10.088 1.00 0.00 H new ATOM 0 HB2 ARG A 69 16.757 -4.255 7.038 1.00 0.00 H new ATOM 0 HB3 ARG A 69 16.039 -3.010 8.041 1.00 0.00 H new ATOM 0 HG2 ARG A 69 19.053 -3.483 7.846 1.00 0.00 H new ATOM 0 HG3 ARG A 69 18.193 -2.318 6.860 1.00 0.00 H new ATOM 0 HD2 ARG A 69 17.348 -1.221 8.988 1.00 0.00 H new ATOM 0 HD3 ARG A 69 18.350 -2.325 9.909 1.00 0.00 H new ATOM 0 HE ARG A 69 19.695 -0.712 7.789 1.00 0.00 H new ATOM 0 HH11 ARG A 69 18.898 -1.189 11.175 1.00 0.00 H new ATOM 0 HH12 ARG A 69 20.273 -0.247 11.761 1.00 0.00 H new ATOM 0 HH21 ARG A 69 21.454 0.473 8.558 1.00 0.00 H new ATOM 0 HH22 ARG A 69 21.703 0.683 10.295 1.00 0.00 H new ATOM 1098 N THR A 70 14.688 -5.127 9.757 1.00 0.00 N ATOM 1099 CA THR A 70 13.458 -5.899 9.666 1.00 0.00 C ATOM 1100 C THR A 70 12.617 -5.376 8.506 1.00 0.00 C ATOM 1101 O THR A 70 12.256 -4.204 8.480 1.00 0.00 O ATOM 1102 CB THR A 70 12.671 -5.826 10.977 1.00 0.00 C ATOM 1103 OG1 THR A 70 13.529 -6.166 12.054 1.00 0.00 O ATOM 1104 CG2 THR A 70 11.499 -6.810 10.933 1.00 0.00 C ATOM 0 H THR A 70 14.635 -4.294 10.343 1.00 0.00 H new ATOM 0 HA THR A 70 13.708 -6.945 9.486 1.00 0.00 H new ATOM 0 HB THR A 70 12.287 -4.815 11.114 1.00 0.00 H new ATOM 0 HG1 THR A 70 13.031 -6.119 12.897 1.00 0.00 H new ATOM 0 HG21 THR A 70 10.942 -6.754 11.868 1.00 0.00 H new ATOM 0 HG22 THR A 70 10.841 -6.555 10.103 1.00 0.00 H new ATOM 0 HG23 THR A 70 11.879 -7.823 10.797 1.00 0.00 H new ATOM 1112 N HIS A 71 12.339 -6.248 7.547 1.00 0.00 N ATOM 1113 CA HIS A 71 11.590 -5.897 6.337 1.00 0.00 C ATOM 1114 C HIS A 71 10.097 -5.988 6.583 1.00 0.00 C ATOM 1115 O HIS A 71 9.596 -7.035 7.006 1.00 0.00 O ATOM 1116 CB HIS A 71 11.969 -6.870 5.206 1.00 0.00 C ATOM 1117 CG HIS A 71 11.769 -6.248 3.840 1.00 0.00 C ATOM 1118 ND1 HIS A 71 12.812 -6.137 2.936 1.00 0.00 N ATOM 1119 CD2 HIS A 71 10.654 -5.747 3.190 1.00 0.00 C ATOM 1120 CE1 HIS A 71 12.315 -5.595 1.804 1.00 0.00 C ATOM 1121 NE2 HIS A 71 11.006 -5.340 1.903 1.00 0.00 N ATOM 0 H HIS A 71 12.626 -7.226 7.582 1.00 0.00 H new ATOM 0 HA HIS A 71 11.840 -4.873 6.059 1.00 0.00 H new ATOM 0 HB2 HIS A 71 13.010 -7.172 5.319 1.00 0.00 H new ATOM 0 HB3 HIS A 71 11.365 -7.774 5.286 1.00 0.00 H new ATOM 0 HD1 HIS A 71 13.780 -6.414 3.096 1.00 0.00 H new ATOM 0 HD2 HIS A 71 9.663 -5.681 3.614 1.00 0.00 H new ATOM 0 HE1 HIS A 71 12.905 -5.391 0.923 1.00 0.00 H new ATOM 1130 N HIS A 72 9.381 -4.935 6.242 1.00 0.00 N ATOM 1131 CA HIS A 72 7.931 -4.926 6.331 1.00 0.00 C ATOM 1132 C HIS A 72 7.355 -5.212 4.958 1.00 0.00 C ATOM 1133 O HIS A 72 7.496 -4.393 4.059 1.00 0.00 O ATOM 1134 CB HIS A 72 7.433 -3.524 6.740 1.00 0.00 C ATOM 1135 CG HIS A 72 7.469 -3.309 8.220 1.00 0.00 C ATOM 1136 ND1 HIS A 72 6.307 -3.264 8.979 1.00 0.00 N ATOM 1137 CD2 HIS A 72 8.503 -3.055 9.089 1.00 0.00 C ATOM 1138 CE1 HIS A 72 6.669 -2.983 10.248 1.00 0.00 C ATOM 1139 NE2 HIS A 72 7.998 -2.843 10.366 1.00 0.00 N ATOM 0 H HIS A 72 9.784 -4.064 5.897 1.00 0.00 H new ATOM 0 HA HIS A 72 7.622 -5.671 7.064 1.00 0.00 H new ATOM 0 HB2 HIS A 72 8.048 -2.768 6.252 1.00 0.00 H new ATOM 0 HB3 HIS A 72 6.413 -3.386 6.381 1.00 0.00 H new ATOM 0 HD2 HIS A 72 9.549 -3.025 8.820 1.00 0.00 H new ATOM 0 HE1 HIS A 72 5.974 -2.883 11.068 1.00 0.00 H new ATOM 0 HE2 HIS A 72 8.525 -2.627 11.212 1.00 0.00 H new ATOM 1148 N TYR A 73 6.598 -6.288 4.830 1.00 0.00 N ATOM 1149 CA TYR A 73 5.866 -6.537 3.594 1.00 0.00 C ATOM 1150 C TYR A 73 4.406 -6.345 3.861 1.00 0.00 C ATOM 1151 O TYR A 73 3.745 -7.247 4.393 1.00 0.00 O ATOM 1152 CB TYR A 73 6.086 -7.959 3.094 1.00 0.00 C ATOM 1153 CG TYR A 73 7.537 -8.188 2.806 1.00 0.00 C ATOM 1154 CD1 TYR A 73 8.362 -8.669 3.810 1.00 0.00 C ATOM 1155 CD2 TYR A 73 8.053 -7.932 1.539 1.00 0.00 C ATOM 1156 CE1 TYR A 73 9.702 -8.903 3.558 1.00 0.00 C ATOM 1157 CE2 TYR A 73 9.402 -8.163 1.282 1.00 0.00 C ATOM 1158 CZ TYR A 73 10.225 -8.652 2.296 1.00 0.00 C ATOM 1159 OH TYR A 73 11.551 -8.895 2.050 1.00 0.00 O ATOM 0 H TYR A 73 6.473 -6.996 5.554 1.00 0.00 H new ATOM 0 HA TYR A 73 6.225 -5.845 2.832 1.00 0.00 H new ATOM 0 HB2 TYR A 73 5.739 -8.673 3.841 1.00 0.00 H new ATOM 0 HB3 TYR A 73 5.498 -8.130 2.193 1.00 0.00 H new ATOM 0 HD1 TYR A 73 7.958 -8.862 4.793 1.00 0.00 H new ATOM 0 HD2 TYR A 73 7.409 -7.555 0.758 1.00 0.00 H new ATOM 0 HE1 TYR A 73 10.341 -9.281 4.342 1.00 0.00 H new ATOM 0 HE2 TYR A 73 9.809 -7.964 0.302 1.00 0.00 H new ATOM 0 HH TYR A 73 11.758 -8.668 1.119 1.00 0.00 H new ATOM 1169 N MET A 74 3.915 -5.170 3.558 1.00 0.00 N ATOM 1170 CA MET A 74 2.532 -4.843 3.803 1.00 0.00 C ATOM 1171 C MET A 74 1.900 -4.267 2.570 1.00 0.00 C ATOM 1172 O MET A 74 2.365 -3.261 2.022 1.00 0.00 O ATOM 1173 CB MET A 74 2.410 -3.877 4.989 1.00 0.00 C ATOM 1174 CG MET A 74 0.935 -3.586 5.287 1.00 0.00 C ATOM 1175 SD MET A 74 0.821 -2.509 6.738 1.00 0.00 S ATOM 1176 CE MET A 74 1.550 -1.031 5.985 1.00 0.00 C ATOM 0 H MET A 74 4.458 -4.417 3.137 1.00 0.00 H new ATOM 0 HA MET A 74 1.998 -5.759 4.058 1.00 0.00 H new ATOM 0 HB2 MET A 74 2.888 -4.308 5.869 1.00 0.00 H new ATOM 0 HB3 MET A 74 2.933 -2.947 4.765 1.00 0.00 H new ATOM 0 HG2 MET A 74 0.465 -3.108 4.427 1.00 0.00 H new ATOM 0 HG3 MET A 74 0.398 -4.517 5.467 1.00 0.00 H new ATOM 0 HE1 MET A 74 0.984 -0.151 6.290 1.00 0.00 H new ATOM 0 HE2 MET A 74 2.585 -0.929 6.312 1.00 0.00 H new ATOM 0 HE3 MET A 74 1.520 -1.123 4.899 1.00 0.00 H new ATOM 1186 N ARG A 75 0.816 -4.864 2.168 1.00 0.00 N ATOM 1187 CA ARG A 75 0.059 -4.393 1.053 1.00 0.00 C ATOM 1188 C ARG A 75 -1.409 -4.485 1.376 1.00 0.00 C ATOM 1189 O ARG A 75 -1.821 -5.330 2.170 1.00 0.00 O ATOM 1190 CB ARG A 75 0.389 -5.196 -0.210 1.00 0.00 C ATOM 1191 CG ARG A 75 0.076 -6.676 0.012 1.00 0.00 C ATOM 1192 CD ARG A 75 0.362 -7.451 -1.281 1.00 0.00 C ATOM 1193 NE ARG A 75 -0.068 -8.839 -1.170 1.00 0.00 N ATOM 1194 CZ ARG A 75 0.419 -9.795 -1.958 1.00 0.00 C ATOM 1195 NH1 ARG A 75 1.319 -9.505 -2.856 1.00 0.00 N ATOM 1196 NH2 ARG A 75 -0.005 -11.011 -1.832 1.00 0.00 N ATOM 0 H ARG A 75 0.432 -5.699 2.611 1.00 0.00 H new ATOM 0 HA ARG A 75 0.320 -3.353 0.858 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -0.189 -4.817 -1.053 1.00 0.00 H new ATOM 0 HB3 ARG A 75 1.442 -5.073 -0.464 1.00 0.00 H new ATOM 0 HG2 ARG A 75 0.682 -7.070 0.828 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -0.968 -6.800 0.301 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -0.152 -6.974 -2.115 1.00 0.00 H new ATOM 0 HD3 ARG A 75 1.429 -7.415 -1.501 1.00 0.00 H new ATOM 0 HE ARG A 75 -0.764 -9.086 -0.466 1.00 0.00 H new ATOM 0 HH11 ARG A 75 1.650 -8.545 -2.955 1.00 0.00 H new ATOM 0 HH12 ARG A 75 1.692 -10.238 -3.460 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -0.711 -11.235 -1.130 1.00 0.00 H new ATOM 0 HH22 ARG A 75 0.366 -11.746 -2.434 1.00 0.00 H new ATOM 1210 N PHE A 76 -2.179 -3.603 0.810 1.00 0.00 N ATOM 1211 CA PHE A 76 -3.596 -3.572 1.060 1.00 0.00 C ATOM 1212 C PHE A 76 -4.349 -3.038 -0.125 1.00 0.00 C ATOM 1213 O PHE A 76 -3.771 -2.411 -1.014 1.00 0.00 O ATOM 1214 CB PHE A 76 -3.924 -2.799 2.351 1.00 0.00 C ATOM 1215 CG PHE A 76 -3.298 -1.423 2.329 1.00 0.00 C ATOM 1216 CD1 PHE A 76 -3.991 -0.335 1.790 1.00 0.00 C ATOM 1217 CD2 PHE A 76 -2.017 -1.238 2.870 1.00 0.00 C ATOM 1218 CE1 PHE A 76 -3.404 0.937 1.790 1.00 0.00 C ATOM 1219 CE2 PHE A 76 -1.433 0.030 2.866 1.00 0.00 C ATOM 1220 CZ PHE A 76 -2.125 1.120 2.328 1.00 0.00 C ATOM 0 H PHE A 76 -1.848 -2.886 0.164 1.00 0.00 H new ATOM 0 HA PHE A 76 -3.928 -4.599 1.213 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -5.005 -2.710 2.462 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -3.560 -3.355 3.215 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -4.978 -0.475 1.374 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -1.482 -2.077 3.290 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -3.939 1.778 1.374 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -0.445 0.170 3.279 1.00 0.00 H new ATOM 0 HZ PHE A 76 -1.673 2.101 2.328 1.00 0.00 H new ATOM 1230 N HIS A 77 -5.629 -3.299 -0.144 1.00 0.00 N ATOM 1231 CA HIS A 77 -6.482 -2.853 -1.216 1.00 0.00 C ATOM 1232 C HIS A 77 -7.327 -1.708 -0.734 1.00 0.00 C ATOM 1233 O HIS A 77 -7.710 -1.664 0.442 1.00 0.00 O ATOM 1234 CB HIS A 77 -7.383 -3.996 -1.698 1.00 0.00 C ATOM 1235 CG HIS A 77 -6.652 -4.847 -2.699 1.00 0.00 C ATOM 1236 ND1 HIS A 77 -5.680 -5.763 -2.331 1.00 0.00 N ATOM 1237 CD2 HIS A 77 -6.767 -4.949 -4.063 1.00 0.00 C ATOM 1238 CE1 HIS A 77 -5.255 -6.374 -3.457 1.00 0.00 C ATOM 1239 NE2 HIS A 77 -5.886 -5.912 -4.538 1.00 0.00 N ATOM 0 H HIS A 77 -6.111 -3.827 0.583 1.00 0.00 H new ATOM 0 HA HIS A 77 -5.861 -2.527 -2.051 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -7.694 -4.606 -0.850 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -8.289 -3.590 -2.148 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -7.441 -4.368 -4.675 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -4.497 -7.143 -3.480 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -5.750 -6.204 -5.506 1.00 0.00 H new ATOM 1248 N VAL A 78 -7.624 -0.789 -1.627 1.00 0.00 N ATOM 1249 CA VAL A 78 -8.457 0.332 -1.278 1.00 0.00 C ATOM 1250 C VAL A 78 -9.611 0.435 -2.246 1.00 0.00 C ATOM 1251 O VAL A 78 -9.481 0.081 -3.416 1.00 0.00 O ATOM 1252 CB VAL A 78 -7.643 1.650 -1.259 1.00 0.00 C ATOM 1253 CG1 VAL A 78 -6.284 1.419 -0.590 1.00 0.00 C ATOM 1254 CG2 VAL A 78 -7.423 2.167 -2.689 1.00 0.00 C ATOM 0 H VAL A 78 -7.301 -0.799 -2.594 1.00 0.00 H new ATOM 0 HA VAL A 78 -8.849 0.170 -0.274 1.00 0.00 H new ATOM 0 HB VAL A 78 -8.206 2.392 -0.694 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -5.719 2.351 -0.582 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -6.436 1.078 0.434 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.729 0.664 -1.146 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -6.850 3.093 -2.657 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -6.876 1.421 -3.265 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -8.388 2.354 -3.161 1.00 0.00 H new ATOM 1264 N GLU A 79 -10.691 1.010 -1.790 1.00 0.00 N ATOM 1265 CA GLU A 79 -11.831 1.235 -2.636 1.00 0.00 C ATOM 1266 C GLU A 79 -11.910 2.679 -3.024 1.00 0.00 C ATOM 1267 O GLU A 79 -12.117 3.563 -2.181 1.00 0.00 O ATOM 1268 CB GLU A 79 -13.119 0.788 -1.950 1.00 0.00 C ATOM 1269 CG GLU A 79 -13.143 -0.745 -1.884 1.00 0.00 C ATOM 1270 CD GLU A 79 -14.316 -1.258 -1.066 1.00 0.00 C ATOM 1271 OE1 GLU A 79 -15.091 -0.459 -0.589 1.00 0.00 O ATOM 1272 OE2 GLU A 79 -14.427 -2.458 -0.933 1.00 0.00 O ATOM 0 H GLU A 79 -10.805 1.333 -0.829 1.00 0.00 H new ATOM 0 HA GLU A 79 -11.711 0.638 -3.540 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -13.177 1.209 -0.946 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -13.986 1.155 -2.500 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -13.199 -1.151 -2.894 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -12.211 -1.104 -1.447 1.00 0.00 H new ATOM 1279 N SER A 80 -11.791 2.910 -4.302 1.00 0.00 N ATOM 1280 CA SER A 80 -11.885 4.226 -4.851 1.00 0.00 C ATOM 1281 C SER A 80 -13.335 4.536 -5.107 1.00 0.00 C ATOM 1282 O SER A 80 -14.217 3.745 -4.756 1.00 0.00 O ATOM 1283 CB SER A 80 -11.092 4.305 -6.154 1.00 0.00 C ATOM 1284 OG SER A 80 -10.098 3.286 -6.174 1.00 0.00 O ATOM 0 H SER A 80 -11.625 2.180 -4.995 1.00 0.00 H new ATOM 0 HA SER A 80 -11.470 4.952 -4.151 1.00 0.00 H new ATOM 0 HB2 SER A 80 -11.762 4.190 -7.006 1.00 0.00 H new ATOM 0 HB3 SER A 80 -10.624 5.285 -6.247 1.00 0.00 H new ATOM 0 HG SER A 80 -10.526 2.414 -6.302 1.00 0.00 H new ATOM 1290 N LYS A 81 -13.599 5.681 -5.678 1.00 0.00 N ATOM 1291 CA LYS A 81 -14.965 6.046 -5.941 1.00 0.00 C ATOM 1292 C LYS A 81 -15.546 5.101 -7.004 1.00 0.00 C ATOM 1293 O LYS A 81 -16.745 4.825 -7.014 1.00 0.00 O ATOM 1294 CB LYS A 81 -15.030 7.484 -6.457 1.00 0.00 C ATOM 1295 CG LYS A 81 -14.361 8.479 -5.472 1.00 0.00 C ATOM 1296 CD LYS A 81 -15.021 8.446 -4.080 1.00 0.00 C ATOM 1297 CE LYS A 81 -15.538 9.850 -3.730 1.00 0.00 C ATOM 1298 NZ LYS A 81 -15.466 10.112 -2.273 1.00 0.00 N ATOM 0 H LYS A 81 -12.900 6.366 -5.966 1.00 0.00 H new ATOM 0 HA LYS A 81 -15.541 5.968 -5.019 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -14.536 7.545 -7.427 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -16.071 7.769 -6.611 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -13.302 8.238 -5.377 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -14.423 9.488 -5.879 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -15.843 7.731 -4.072 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -14.302 8.114 -3.332 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -14.951 10.598 -4.264 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -16.569 9.953 -4.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -16.058 10.934 -2.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -15.809 9.279 -1.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -14.481 10.307 -2.004 1.00 0.00 H new ATOM 1312 N LYS A 82 -14.690 4.687 -7.956 1.00 0.00 N ATOM 1313 CA LYS A 82 -15.133 3.875 -9.103 1.00 0.00 C ATOM 1314 C LYS A 82 -14.426 2.503 -9.159 1.00 0.00 C ATOM 1315 O LYS A 82 -14.820 1.628 -9.949 1.00 0.00 O ATOM 1316 CB LYS A 82 -14.833 4.626 -10.411 1.00 0.00 C ATOM 1317 CG LYS A 82 -15.234 6.116 -10.298 1.00 0.00 C ATOM 1318 CD LYS A 82 -16.753 6.273 -10.201 1.00 0.00 C ATOM 1319 CE LYS A 82 -17.101 7.768 -10.073 1.00 0.00 C ATOM 1320 NZ LYS A 82 -16.578 8.514 -11.256 1.00 0.00 N ATOM 0 H LYS A 82 -13.693 4.900 -7.954 1.00 0.00 H new ATOM 0 HA LYS A 82 -16.203 3.705 -8.981 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -13.771 4.548 -10.644 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -15.375 4.161 -11.234 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -14.763 6.557 -9.419 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -14.864 6.662 -11.166 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -17.231 5.850 -11.085 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -17.133 5.724 -9.339 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -18.181 7.894 -10.001 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -16.671 8.173 -9.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -15.754 9.081 -10.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -16.296 7.839 -11.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -17.320 9.143 -11.626 1.00 0.00 H new ATOM 1334 N LYS A 83 -13.280 2.395 -8.484 1.00 0.00 N ATOM 1335 CA LYS A 83 -12.423 1.196 -8.587 1.00 0.00 C ATOM 1336 C LYS A 83 -11.837 0.803 -7.247 1.00 0.00 C ATOM 1337 O LYS A 83 -11.763 1.612 -6.331 1.00 0.00 O ATOM 1338 CB LYS A 83 -11.271 1.427 -9.574 1.00 0.00 C ATOM 1339 CG LYS A 83 -11.820 1.669 -10.983 1.00 0.00 C ATOM 1340 CD LYS A 83 -12.464 0.385 -11.515 1.00 0.00 C ATOM 1341 CE LYS A 83 -13.316 0.719 -12.735 1.00 0.00 C ATOM 1342 NZ LYS A 83 -14.742 0.694 -12.341 1.00 0.00 N ATOM 0 H LYS A 83 -12.918 3.117 -7.860 1.00 0.00 H new ATOM 0 HA LYS A 83 -13.063 0.389 -8.944 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -10.676 2.283 -9.256 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -10.608 0.562 -9.578 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -12.554 2.474 -10.964 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -11.016 1.986 -11.647 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -11.694 -0.339 -11.782 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -13.079 -0.075 -10.742 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -13.049 1.701 -13.124 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -13.132 -0.001 -13.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -15.273 1.378 -12.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -15.127 -0.260 -12.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -14.829 0.947 -11.336 1.00 0.00 H new ATOM 1356 N ILE A 84 -11.321 -0.403 -7.182 1.00 0.00 N ATOM 1357 CA ILE A 84 -10.615 -0.878 -6.010 1.00 0.00 C ATOM 1358 C ILE A 84 -9.128 -0.872 -6.335 1.00 0.00 C ATOM 1359 O ILE A 84 -8.712 -1.470 -7.327 1.00 0.00 O ATOM 1360 CB ILE A 84 -11.068 -2.307 -5.700 1.00 0.00 C ATOM 1361 CG1 ILE A 84 -12.582 -2.325 -5.522 1.00 0.00 C ATOM 1362 CG2 ILE A 84 -10.410 -2.800 -4.407 1.00 0.00 C ATOM 1363 CD1 ILE A 84 -13.066 -3.764 -5.515 1.00 0.00 C ATOM 0 H ILE A 84 -11.378 -1.084 -7.939 1.00 0.00 H new ATOM 0 HA ILE A 84 -10.819 -0.245 -5.147 1.00 0.00 H new ATOM 0 HB ILE A 84 -10.777 -2.959 -6.524 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -12.857 -1.832 -4.590 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -13.062 -1.771 -6.329 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -10.739 -3.817 -4.196 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -9.326 -2.786 -4.522 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -10.696 -2.148 -3.582 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -14.148 -3.783 -5.388 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -12.803 -4.241 -6.459 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -12.595 -4.302 -4.693 1.00 0.00 H new ATOM 1375 N ALA A 85 -8.339 -0.180 -5.541 1.00 0.00 N ATOM 1376 CA ALA A 85 -6.909 -0.076 -5.811 1.00 0.00 C ATOM 1377 C ALA A 85 -6.104 -0.972 -4.894 1.00 0.00 C ATOM 1378 O ALA A 85 -6.519 -1.262 -3.777 1.00 0.00 O ATOM 1379 CB ALA A 85 -6.429 1.377 -5.700 1.00 0.00 C ATOM 0 H ALA A 85 -8.654 0.318 -4.708 1.00 0.00 H new ATOM 0 HA ALA A 85 -6.748 -0.413 -6.835 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -5.360 1.424 -5.906 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -6.965 1.993 -6.422 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -6.621 1.748 -4.693 1.00 0.00 H new ATOM 1385 N LEU A 86 -4.934 -1.365 -5.361 1.00 0.00 N ATOM 1386 CA LEU A 86 -4.017 -2.192 -4.591 1.00 0.00 C ATOM 1387 C LEU A 86 -2.812 -1.376 -4.168 1.00 0.00 C ATOM 1388 O LEU A 86 -2.182 -0.722 -4.997 1.00 0.00 O ATOM 1389 CB LEU A 86 -3.580 -3.403 -5.440 1.00 0.00 C ATOM 1390 CG LEU A 86 -2.341 -4.090 -4.838 1.00 0.00 C ATOM 1391 CD1 LEU A 86 -2.656 -4.661 -3.464 1.00 0.00 C ATOM 1392 CD2 LEU A 86 -1.887 -5.223 -5.763 1.00 0.00 C ATOM 0 H LEU A 86 -4.589 -1.120 -6.289 1.00 0.00 H new ATOM 0 HA LEU A 86 -4.520 -2.552 -3.693 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -4.400 -4.119 -5.505 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -3.360 -3.077 -6.456 1.00 0.00 H new ATOM 0 HG LEU A 86 -1.548 -3.349 -4.736 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -1.766 -5.142 -3.057 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -2.970 -3.857 -2.799 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -3.458 -5.394 -3.550 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -1.010 -5.710 -5.338 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -2.691 -5.951 -5.868 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -1.637 -4.815 -6.742 1.00 0.00 H new ATOM 1404 N VAL A 87 -2.493 -1.415 -2.886 1.00 0.00 N ATOM 1405 CA VAL A 87 -1.359 -0.685 -2.365 1.00 0.00 C ATOM 1406 C VAL A 87 -0.373 -1.670 -1.748 1.00 0.00 C ATOM 1407 O VAL A 87 -0.744 -2.467 -0.883 1.00 0.00 O ATOM 1408 CB VAL A 87 -1.847 0.315 -1.298 1.00 0.00 C ATOM 1409 CG1 VAL A 87 -0.660 0.977 -0.594 1.00 0.00 C ATOM 1410 CG2 VAL A 87 -2.739 1.386 -1.949 1.00 0.00 C ATOM 0 H VAL A 87 -3.009 -1.949 -2.186 1.00 0.00 H new ATOM 0 HA VAL A 87 -0.864 -0.138 -3.167 1.00 0.00 H new ATOM 0 HB VAL A 87 -2.428 -0.230 -0.554 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -1.027 1.679 0.155 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -0.053 0.213 -0.109 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -0.054 1.511 -1.326 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -3.079 2.088 -1.188 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -2.169 1.922 -2.708 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -3.602 0.908 -2.413 1.00 0.00 H new ATOM 1420 N HIS A 88 0.883 -1.588 -2.163 1.00 0.00 N ATOM 1421 CA HIS A 88 1.933 -2.452 -1.627 1.00 0.00 C ATOM 1422 C HIS A 88 3.071 -1.603 -1.110 1.00 0.00 C ATOM 1423 O HIS A 88 3.634 -0.797 -1.855 1.00 0.00 O ATOM 1424 CB HIS A 88 2.418 -3.443 -2.710 1.00 0.00 C ATOM 1425 CG HIS A 88 3.750 -4.082 -2.348 1.00 0.00 C ATOM 1426 ND1 HIS A 88 4.622 -4.549 -3.325 1.00 0.00 N ATOM 1427 CD2 HIS A 88 4.374 -4.344 -1.141 1.00 0.00 C ATOM 1428 CE1 HIS A 88 5.702 -5.057 -2.709 1.00 0.00 C ATOM 1429 NE2 HIS A 88 5.612 -4.963 -1.383 1.00 0.00 N ATOM 0 H HIS A 88 1.204 -0.929 -2.873 1.00 0.00 H new ATOM 0 HA HIS A 88 1.535 -3.037 -0.798 1.00 0.00 H new ATOM 0 HB2 HIS A 88 1.669 -4.222 -2.849 1.00 0.00 H new ATOM 0 HB3 HIS A 88 2.514 -2.920 -3.662 1.00 0.00 H new ATOM 0 HD1 HIS A 88 4.468 -4.512 -4.333 1.00 0.00 H new ATOM 0 HD2 HIS A 88 3.973 -4.110 -0.166 1.00 0.00 H new ATOM 0 HE1 HIS A 88 6.544 -5.491 -3.228 1.00 0.00 H new ATOM 1438 N LEU A 89 3.357 -1.732 0.179 1.00 0.00 N ATOM 1439 CA LEU A 89 4.386 -0.938 0.821 1.00 0.00 C ATOM 1440 C LEU A 89 5.418 -1.820 1.494 1.00 0.00 C ATOM 1441 O LEU A 89 5.071 -2.686 2.311 1.00 0.00 O ATOM 1442 CB LEU A 89 3.760 0.016 1.853 1.00 0.00 C ATOM 1443 CG LEU A 89 4.866 0.827 2.560 1.00 0.00 C ATOM 1444 CD1 LEU A 89 4.321 2.188 2.992 1.00 0.00 C ATOM 1445 CD2 LEU A 89 5.360 0.064 3.799 1.00 0.00 C ATOM 0 H LEU A 89 2.884 -2.386 0.802 1.00 0.00 H new ATOM 0 HA LEU A 89 4.886 -0.353 0.049 1.00 0.00 H new ATOM 0 HB2 LEU A 89 3.061 0.691 1.359 1.00 0.00 H new ATOM 0 HB3 LEU A 89 3.189 -0.553 2.587 1.00 0.00 H new ATOM 0 HG LEU A 89 5.694 0.972 1.866 1.00 0.00 H new ATOM 0 HD11 LEU A 89 5.108 2.754 3.490 1.00 0.00 H new ATOM 0 HD12 LEU A 89 3.978 2.738 2.115 1.00 0.00 H new ATOM 0 HD13 LEU A 89 3.487 2.045 3.679 1.00 0.00 H new ATOM 0 HD21 LEU A 89 6.141 0.641 4.294 1.00 0.00 H new ATOM 0 HD22 LEU A 89 4.529 -0.088 4.488 1.00 0.00 H new ATOM 0 HD23 LEU A 89 5.761 -0.903 3.495 1.00 0.00 H new ATOM 1457 N GLU A 90 6.679 -1.512 1.256 1.00 0.00 N ATOM 1458 CA GLU A 90 7.759 -2.154 1.965 1.00 0.00 C ATOM 1459 C GLU A 90 8.550 -1.159 2.767 1.00 0.00 C ATOM 1460 O GLU A 90 9.015 -0.141 2.245 1.00 0.00 O ATOM 1461 CB GLU A 90 8.657 -2.971 1.045 1.00 0.00 C ATOM 1462 CG GLU A 90 7.909 -4.248 0.648 1.00 0.00 C ATOM 1463 CD GLU A 90 8.720 -5.096 -0.307 1.00 0.00 C ATOM 1464 OE1 GLU A 90 9.923 -4.915 -0.368 1.00 0.00 O ATOM 1465 OE2 GLU A 90 8.133 -5.943 -0.944 1.00 0.00 O ATOM 0 H GLU A 90 6.977 -0.816 0.572 1.00 0.00 H new ATOM 0 HA GLU A 90 7.305 -2.860 2.660 1.00 0.00 H new ATOM 0 HB2 GLU A 90 8.918 -2.393 0.158 1.00 0.00 H new ATOM 0 HB3 GLU A 90 9.591 -3.220 1.549 1.00 0.00 H new ATOM 0 HG2 GLU A 90 7.677 -4.827 1.542 1.00 0.00 H new ATOM 0 HG3 GLU A 90 6.959 -3.984 0.184 1.00 0.00 H new ATOM 1472 N ALA A 91 8.706 -1.465 4.028 1.00 0.00 N ATOM 1473 CA ALA A 91 9.457 -0.640 4.944 1.00 0.00 C ATOM 1474 C ALA A 91 10.408 -1.508 5.710 1.00 0.00 C ATOM 1475 O ALA A 91 10.168 -2.705 5.850 1.00 0.00 O ATOM 1476 CB ALA A 91 8.516 0.086 5.917 1.00 0.00 C ATOM 0 H ALA A 91 8.312 -2.303 4.455 1.00 0.00 H new ATOM 0 HA ALA A 91 10.009 0.111 4.379 1.00 0.00 H new ATOM 0 HB1 ALA A 91 9.102 0.702 6.599 1.00 0.00 H new ATOM 0 HB2 ALA A 91 7.829 0.719 5.355 1.00 0.00 H new ATOM 0 HB3 ALA A 91 7.948 -0.647 6.489 1.00 0.00 H new ATOM 1482 N LYS A 92 11.457 -0.930 6.240 1.00 0.00 N ATOM 1483 CA LYS A 92 12.356 -1.708 7.054 1.00 0.00 C ATOM 1484 C LYS A 92 12.670 -1.015 8.354 1.00 0.00 C ATOM 1485 O LYS A 92 12.912 0.202 8.389 1.00 0.00 O ATOM 1486 CB LYS A 92 13.635 -2.116 6.305 1.00 0.00 C ATOM 1487 CG LYS A 92 14.513 -0.896 6.001 1.00 0.00 C ATOM 1488 CD LYS A 92 15.753 -1.360 5.218 1.00 0.00 C ATOM 1489 CE LYS A 92 16.660 -0.163 4.916 1.00 0.00 C ATOM 1490 NZ LYS A 92 17.846 -0.616 4.139 1.00 0.00 N ATOM 0 H LYS A 92 11.706 0.053 6.127 1.00 0.00 H new ATOM 0 HA LYS A 92 11.831 -2.633 7.292 1.00 0.00 H new ATOM 0 HB2 LYS A 92 14.198 -2.832 6.904 1.00 0.00 H new ATOM 0 HB3 LYS A 92 13.370 -2.618 5.374 1.00 0.00 H new ATOM 0 HG2 LYS A 92 13.953 -0.163 5.421 1.00 0.00 H new ATOM 0 HG3 LYS A 92 14.813 -0.407 6.928 1.00 0.00 H new ATOM 0 HD2 LYS A 92 16.300 -2.105 5.796 1.00 0.00 H new ATOM 0 HD3 LYS A 92 15.448 -1.839 4.288 1.00 0.00 H new ATOM 0 HE2 LYS A 92 16.109 0.590 4.352 1.00 0.00 H new ATOM 0 HE3 LYS A 92 16.980 0.307 5.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 18.697 -0.131 4.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 17.962 -1.643 4.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 17.709 -0.391 3.133 1.00 0.00 H new ATOM 1504 N GLU A 93 12.674 -1.788 9.419 1.00 0.00 N ATOM 1505 CA GLU A 93 13.005 -1.270 10.728 1.00 0.00 C ATOM 1506 C GLU A 93 14.487 -0.937 10.751 1.00 0.00 C ATOM 1507 O GLU A 93 15.305 -1.735 10.281 1.00 0.00 O ATOM 1508 CB GLU A 93 12.716 -2.332 11.795 1.00 0.00 C ATOM 1509 CG GLU A 93 11.218 -2.693 11.813 1.00 0.00 C ATOM 1510 CD GLU A 93 10.367 -1.523 12.281 1.00 0.00 C ATOM 1511 OE1 GLU A 93 10.891 -0.635 12.916 1.00 0.00 O ATOM 1512 OE2 GLU A 93 9.191 -1.545 12.008 1.00 0.00 O ATOM 0 H GLU A 93 12.450 -2.783 9.403 1.00 0.00 H new ATOM 0 HA GLU A 93 12.409 -0.381 10.935 1.00 0.00 H new ATOM 0 HB2 GLU A 93 13.308 -3.225 11.596 1.00 0.00 H new ATOM 0 HB3 GLU A 93 13.018 -1.962 12.775 1.00 0.00 H new ATOM 0 HG2 GLU A 93 10.904 -2.996 10.814 1.00 0.00 H new ATOM 0 HG3 GLU A 93 11.057 -3.547 12.471 1.00 0.00 H new ATOM 1519 N SER A 94 14.845 0.201 11.318 1.00 0.00 N ATOM 1520 CA SER A 94 16.244 0.571 11.423 1.00 0.00 C ATOM 1521 C SER A 94 16.959 -0.471 12.269 1.00 0.00 C ATOM 1522 O SER A 94 17.617 -1.373 11.746 1.00 0.00 O ATOM 1523 CB SER A 94 16.377 1.957 12.044 1.00 0.00 C ATOM 1524 OG SER A 94 15.344 2.791 11.534 1.00 0.00 O ATOM 0 H SER A 94 14.192 0.880 11.710 1.00 0.00 H new ATOM 0 HA SER A 94 16.696 0.606 10.432 1.00 0.00 H new ATOM 0 HB2 SER A 94 16.307 1.892 13.130 1.00 0.00 H new ATOM 0 HB3 SER A 94 17.354 2.382 11.812 1.00 0.00 H new ATOM 0 HG SER A 94 15.420 3.685 11.929 1.00 0.00 H new ATOM 1604 N GLN A 99 9.336 3.273 14.138 1.00 0.00 N ATOM 1605 CA GLN A 99 8.853 3.259 12.753 1.00 0.00 C ATOM 1606 C GLN A 99 9.936 2.846 11.754 1.00 0.00 C ATOM 1607 O GLN A 99 11.022 3.434 11.727 1.00 0.00 O ATOM 1608 CB GLN A 99 8.270 4.620 12.368 1.00 0.00 C ATOM 1609 CG GLN A 99 6.905 4.807 13.051 1.00 0.00 C ATOM 1610 CD GLN A 99 5.856 3.951 12.356 1.00 0.00 C ATOM 1611 OE1 GLN A 99 5.211 4.405 11.416 1.00 0.00 O ATOM 1612 NE2 GLN A 99 5.661 2.729 12.748 1.00 0.00 N ATOM 0 HA GLN A 99 8.067 2.505 12.705 1.00 0.00 H new ATOM 0 HB2 GLN A 99 8.951 5.417 12.668 1.00 0.00 H new ATOM 0 HB3 GLN A 99 8.159 4.687 11.286 1.00 0.00 H new ATOM 0 HG2 GLN A 99 6.974 4.530 14.103 1.00 0.00 H new ATOM 0 HG3 GLN A 99 6.612 5.856 13.016 1.00 0.00 H new ATOM 0 HE21 GLN A 99 6.198 2.352 13.529 1.00 0.00 H new ATOM 0 HE22 GLN A 99 4.971 2.145 12.275 1.00 0.00 H new ATOM 1621 N PRO A 100 9.625 1.905 10.893 1.00 0.00 N ATOM 1622 CA PRO A 100 10.551 1.461 9.807 1.00 0.00 C ATOM 1623 C PRO A 100 10.620 2.473 8.662 1.00 0.00 C ATOM 1624 O PRO A 100 9.634 3.169 8.371 1.00 0.00 O ATOM 1625 CB PRO A 100 9.919 0.165 9.319 1.00 0.00 C ATOM 1626 CG PRO A 100 8.462 0.367 9.535 1.00 0.00 C ATOM 1627 CD PRO A 100 8.333 1.192 10.814 1.00 0.00 C ATOM 0 HA PRO A 100 11.576 1.350 10.162 1.00 0.00 H new ATOM 0 HB2 PRO A 100 10.145 -0.017 8.268 1.00 0.00 H new ATOM 0 HB3 PRO A 100 10.289 -0.694 9.878 1.00 0.00 H new ATOM 0 HG2 PRO A 100 8.011 0.886 8.689 1.00 0.00 H new ATOM 0 HG3 PRO A 100 7.947 -0.588 9.634 1.00 0.00 H new ATOM 0 HD2 PRO A 100 7.494 1.886 10.762 1.00 0.00 H new ATOM 0 HD3 PRO A 100 8.169 0.559 11.686 1.00 0.00 H new ATOM 1635 N ASP A 101 11.736 2.476 7.951 1.00 0.00 N ATOM 1636 CA ASP A 101 11.884 3.312 6.762 1.00 0.00 C ATOM 1637 C ASP A 101 11.180 2.662 5.581 1.00 0.00 C ATOM 1638 O ASP A 101 11.284 1.450 5.392 1.00 0.00 O ATOM 1639 CB ASP A 101 13.367 3.525 6.440 1.00 0.00 C ATOM 1640 CG ASP A 101 13.918 4.634 7.313 1.00 0.00 C ATOM 1641 OD1 ASP A 101 13.870 4.491 8.517 1.00 0.00 O ATOM 1642 OD2 ASP A 101 14.358 5.623 6.775 1.00 0.00 O ATOM 0 H ASP A 101 12.555 1.910 8.173 1.00 0.00 H new ATOM 0 HA ASP A 101 11.429 4.283 6.957 1.00 0.00 H new ATOM 0 HB2 ASP A 101 13.923 2.603 6.610 1.00 0.00 H new ATOM 0 HB3 ASP A 101 13.489 3.781 5.388 1.00 0.00 H new ATOM 1647 N PHE A 102 10.478 3.466 4.775 1.00 0.00 N ATOM 1648 CA PHE A 102 9.756 2.937 3.610 1.00 0.00 C ATOM 1649 C PHE A 102 10.722 2.609 2.487 1.00 0.00 C ATOM 1650 O PHE A 102 11.185 3.502 1.774 1.00 0.00 O ATOM 1651 CB PHE A 102 8.703 3.942 3.100 1.00 0.00 C ATOM 1652 CG PHE A 102 7.637 4.170 4.146 1.00 0.00 C ATOM 1653 CD1 PHE A 102 6.873 3.095 4.610 1.00 0.00 C ATOM 1654 CD2 PHE A 102 7.399 5.458 4.637 1.00 0.00 C ATOM 1655 CE1 PHE A 102 5.877 3.305 5.560 1.00 0.00 C ATOM 1656 CE2 PHE A 102 6.401 5.668 5.592 1.00 0.00 C ATOM 1657 CZ PHE A 102 5.638 4.593 6.055 1.00 0.00 C ATOM 0 H PHE A 102 10.394 4.474 4.904 1.00 0.00 H new ATOM 0 HA PHE A 102 9.247 2.027 3.928 1.00 0.00 H new ATOM 0 HB2 PHE A 102 9.185 4.888 2.852 1.00 0.00 H new ATOM 0 HB3 PHE A 102 8.247 3.566 2.184 1.00 0.00 H new ATOM 0 HD1 PHE A 102 7.056 2.100 4.231 1.00 0.00 H new ATOM 0 HD2 PHE A 102 7.987 6.290 4.278 1.00 0.00 H new ATOM 0 HE1 PHE A 102 5.288 2.473 5.916 1.00 0.00 H new ATOM 0 HE2 PHE A 102 6.219 6.662 5.973 1.00 0.00 H new ATOM 0 HZ PHE A 102 4.866 4.755 6.793 1.00 0.00 H new ATOM 1667 N ILE A 103 10.991 1.325 2.306 1.00 0.00 N ATOM 1668 CA ILE A 103 11.858 0.860 1.243 1.00 0.00 C ATOM 1669 C ILE A 103 11.210 1.116 -0.100 1.00 0.00 C ATOM 1670 O ILE A 103 11.849 1.590 -1.019 1.00 0.00 O ATOM 1671 CB ILE A 103 12.113 -0.646 1.396 1.00 0.00 C ATOM 1672 CG1 ILE A 103 12.921 -0.915 2.663 1.00 0.00 C ATOM 1673 CG2 ILE A 103 12.899 -1.173 0.183 1.00 0.00 C ATOM 1674 CD1 ILE A 103 12.933 -2.418 2.937 1.00 0.00 C ATOM 0 H ILE A 103 10.614 0.580 2.892 1.00 0.00 H new ATOM 0 HA ILE A 103 12.803 1.399 1.302 1.00 0.00 H new ATOM 0 HB ILE A 103 11.151 -1.155 1.460 1.00 0.00 H new ATOM 0 HG12 ILE A 103 13.940 -0.546 2.545 1.00 0.00 H new ATOM 0 HG13 ILE A 103 12.485 -0.382 3.508 1.00 0.00 H new ATOM 0 HG21 ILE A 103 13.075 -2.242 0.300 1.00 0.00 H new ATOM 0 HG22 ILE A 103 12.325 -0.998 -0.727 1.00 0.00 H new ATOM 0 HG23 ILE A 103 13.855 -0.653 0.115 1.00 0.00 H new ATOM 0 HD11 ILE A 103 13.508 -2.618 3.841 1.00 0.00 H new ATOM 0 HD12 ILE A 103 11.911 -2.771 3.072 1.00 0.00 H new ATOM 0 HD13 ILE A 103 13.388 -2.938 2.094 1.00 0.00 H new ATOM 1686 N ASN A 104 9.938 0.781 -0.200 1.00 0.00 N ATOM 1687 CA ASN A 104 9.198 0.926 -1.444 1.00 0.00 C ATOM 1688 C ASN A 104 7.722 1.012 -1.138 1.00 0.00 C ATOM 1689 O ASN A 104 7.260 0.449 -0.137 1.00 0.00 O ATOM 1690 CB ASN A 104 9.447 -0.285 -2.352 1.00 0.00 C ATOM 1691 CG ASN A 104 9.033 0.034 -3.789 1.00 0.00 C ATOM 1692 OD1 ASN A 104 8.010 0.672 -4.024 1.00 0.00 O ATOM 1693 ND2 ASN A 104 9.779 -0.363 -4.765 1.00 0.00 N ATOM 0 H ASN A 104 9.389 0.403 0.572 1.00 0.00 H new ATOM 0 HA ASN A 104 9.532 1.831 -1.951 1.00 0.00 H new ATOM 0 HB2 ASN A 104 10.502 -0.559 -2.323 1.00 0.00 H new ATOM 0 HB3 ASN A 104 8.884 -1.144 -1.986 1.00 0.00 H new ATOM 0 HD21 ASN A 104 9.518 -0.147 -5.727 1.00 0.00 H new ATOM 0 HD22 ASN A 104 10.629 -0.893 -4.574 1.00 0.00 H new ATOM 1700 N MET A 105 6.967 1.623 -2.021 1.00 0.00 N ATOM 1701 CA MET A 105 5.525 1.673 -1.871 1.00 0.00 C ATOM 1702 C MET A 105 4.861 2.184 -3.139 1.00 0.00 C ATOM 1703 O MET A 105 5.186 3.276 -3.634 1.00 0.00 O ATOM 1704 CB MET A 105 5.112 2.469 -0.596 1.00 0.00 C ATOM 1705 CG MET A 105 4.277 3.707 -0.937 1.00 0.00 C ATOM 1706 SD MET A 105 2.634 3.202 -1.518 1.00 0.00 S ATOM 1707 CE MET A 105 1.917 2.811 0.096 1.00 0.00 C ATOM 0 H MET A 105 7.324 2.094 -2.852 1.00 0.00 H new ATOM 0 HA MET A 105 5.160 0.657 -1.721 1.00 0.00 H new ATOM 0 HB2 MET A 105 4.542 1.819 0.068 1.00 0.00 H new ATOM 0 HB3 MET A 105 6.007 2.774 -0.053 1.00 0.00 H new ATOM 0 HG2 MET A 105 4.181 4.345 -0.059 1.00 0.00 H new ATOM 0 HG3 MET A 105 4.779 4.295 -1.705 1.00 0.00 H new ATOM 0 HE1 MET A 105 0.890 3.173 0.135 1.00 0.00 H new ATOM 0 HE2 MET A 105 1.927 1.732 0.247 1.00 0.00 H new ATOM 0 HE3 MET A 105 2.501 3.293 0.880 1.00 0.00 H new ATOM 1717 N TYR A 106 3.943 1.396 -3.673 1.00 0.00 N ATOM 1718 CA TYR A 106 3.253 1.751 -4.899 1.00 0.00 C ATOM 1719 C TYR A 106 1.801 1.321 -4.850 1.00 0.00 C ATOM 1720 O TYR A 106 1.422 0.440 -4.061 1.00 0.00 O ATOM 1721 CB TYR A 106 3.948 1.144 -6.127 1.00 0.00 C ATOM 1722 CG TYR A 106 4.011 -0.357 -5.998 1.00 0.00 C ATOM 1723 CD1 TYR A 106 2.957 -1.146 -6.471 1.00 0.00 C ATOM 1724 CD2 TYR A 106 5.128 -0.959 -5.410 1.00 0.00 C ATOM 1725 CE1 TYR A 106 3.018 -2.534 -6.355 1.00 0.00 C ATOM 1726 CE2 TYR A 106 5.189 -2.346 -5.295 1.00 0.00 C ATOM 1727 CZ TYR A 106 4.136 -3.134 -5.768 1.00 0.00 C ATOM 1728 OH TYR A 106 4.196 -4.506 -5.650 1.00 0.00 O ATOM 0 H TYR A 106 3.658 0.502 -3.273 1.00 0.00 H new ATOM 0 HA TYR A 106 3.289 2.837 -4.991 1.00 0.00 H new ATOM 0 HB2 TYR A 106 3.406 1.416 -7.033 1.00 0.00 H new ATOM 0 HB3 TYR A 106 4.955 1.551 -6.223 1.00 0.00 H new ATOM 0 HD1 TYR A 106 2.096 -0.680 -6.926 1.00 0.00 H new ATOM 0 HD2 TYR A 106 5.942 -0.350 -5.046 1.00 0.00 H new ATOM 0 HE1 TYR A 106 2.204 -3.144 -6.718 1.00 0.00 H new ATOM 0 HE2 TYR A 106 6.050 -2.813 -4.840 1.00 0.00 H new ATOM 0 HH TYR A 106 3.695 -4.920 -6.384 1.00 0.00 H new ATOM 1738 N VAL A 107 0.993 1.947 -5.688 1.00 0.00 N ATOM 1739 CA VAL A 107 -0.422 1.659 -5.746 1.00 0.00 C ATOM 1740 C VAL A 107 -0.789 1.150 -7.129 1.00 0.00 C ATOM 1741 O VAL A 107 -0.517 1.816 -8.140 1.00 0.00 O ATOM 1742 CB VAL A 107 -1.218 2.936 -5.420 1.00 0.00 C ATOM 1743 CG1 VAL A 107 -2.711 2.730 -5.706 1.00 0.00 C ATOM 1744 CG2 VAL A 107 -1.020 3.297 -3.946 1.00 0.00 C ATOM 0 H VAL A 107 1.301 2.665 -6.343 1.00 0.00 H new ATOM 0 HA VAL A 107 -0.667 0.889 -5.014 1.00 0.00 H new ATOM 0 HB VAL A 107 -0.854 3.747 -6.050 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -3.256 3.644 -5.469 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -2.850 2.487 -6.760 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -3.090 1.912 -5.093 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -1.583 4.201 -3.714 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -1.374 2.478 -3.320 1.00 0.00 H new ATOM 0 HG23 VAL A 107 0.039 3.469 -3.753 1.00 0.00 H new ATOM 1754 N ASP A 108 -1.460 0.012 -7.172 1.00 0.00 N ATOM 1755 CA ASP A 108 -1.941 -0.538 -8.425 1.00 0.00 C ATOM 1756 C ASP A 108 -3.420 -0.249 -8.572 1.00 0.00 C ATOM 1757 O ASP A 108 -4.244 -0.776 -7.804 1.00 0.00 O ATOM 1758 CB ASP A 108 -1.711 -2.051 -8.499 1.00 0.00 C ATOM 1759 CG ASP A 108 -1.740 -2.490 -9.955 1.00 0.00 C ATOM 1760 OD1 ASP A 108 -0.713 -2.441 -10.587 1.00 0.00 O ATOM 1761 OD2 ASP A 108 -2.790 -2.855 -10.425 1.00 0.00 O ATOM 0 H ASP A 108 -1.684 -0.550 -6.351 1.00 0.00 H new ATOM 0 HA ASP A 108 -1.383 -0.068 -9.235 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -0.752 -2.308 -8.048 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -2.480 -2.576 -7.933 1.00 0.00 H new ATOM 1766 N VAL A 109 -3.771 0.552 -9.552 1.00 0.00 N ATOM 1767 CA VAL A 109 -5.165 0.851 -9.820 1.00 0.00 C ATOM 1768 C VAL A 109 -5.637 0.025 -11.020 1.00 0.00 C ATOM 1769 O VAL A 109 -4.939 -0.053 -12.029 1.00 0.00 O ATOM 1770 CB VAL A 109 -5.343 2.357 -10.080 1.00 0.00 C ATOM 1771 CG1 VAL A 109 -6.821 2.675 -10.339 1.00 0.00 C ATOM 1772 CG2 VAL A 109 -4.861 3.151 -8.853 1.00 0.00 C ATOM 0 H VAL A 109 -3.111 1.011 -10.180 1.00 0.00 H new ATOM 0 HA VAL A 109 -5.771 0.588 -8.953 1.00 0.00 H new ATOM 0 HB VAL A 109 -4.756 2.637 -10.955 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -6.937 3.743 -10.522 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -7.166 2.118 -11.210 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -7.412 2.390 -9.469 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -4.987 4.218 -9.037 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -5.446 2.862 -7.980 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -3.808 2.936 -8.671 1.00 0.00 H new ATOM 1782 N PRO A 110 -6.759 -0.653 -10.906 1.00 0.00 N ATOM 1783 CA PRO A 110 -7.246 -1.542 -12.008 1.00 0.00 C ATOM 1784 C PRO A 110 -7.415 -0.769 -13.298 1.00 0.00 C ATOM 1785 O PRO A 110 -7.884 0.369 -13.289 1.00 0.00 O ATOM 1786 CB PRO A 110 -8.607 -2.028 -11.505 1.00 0.00 C ATOM 1787 CG PRO A 110 -8.516 -1.928 -10.025 1.00 0.00 C ATOM 1788 CD PRO A 110 -7.656 -0.707 -9.738 1.00 0.00 C ATOM 0 HA PRO A 110 -6.550 -2.352 -12.227 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -9.417 -1.412 -11.895 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -8.804 -3.052 -11.822 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -9.505 -1.822 -9.580 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -8.070 -2.827 -9.600 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -8.257 0.198 -9.648 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -7.100 -0.814 -8.807 1.00 0.00 H new ATOM 1796 N GLY A 111 -7.034 -1.383 -14.403 1.00 0.00 N ATOM 1797 CA GLY A 111 -7.144 -0.742 -15.706 1.00 0.00 C ATOM 1798 C GLY A 111 -6.209 0.461 -15.809 1.00 0.00 C ATOM 1799 O GLY A 111 -6.053 1.045 -16.889 1.00 0.00 O ATOM 0 H GLY A 111 -6.645 -2.326 -14.427 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -6.904 -1.461 -16.489 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -8.173 -0.422 -15.871 1.00 0.00 H new ATOM 1803 N GLU A 112 -5.598 0.837 -14.692 1.00 0.00 N ATOM 1804 CA GLU A 112 -4.710 1.981 -14.652 1.00 0.00 C ATOM 1805 C GLU A 112 -3.291 1.557 -14.306 1.00 0.00 C ATOM 1806 O GLU A 112 -3.060 0.444 -13.820 1.00 0.00 O ATOM 1807 CB GLU A 112 -5.216 3.010 -13.642 1.00 0.00 C ATOM 1808 CG GLU A 112 -6.571 3.565 -14.096 1.00 0.00 C ATOM 1809 CD GLU A 112 -6.436 4.259 -15.434 1.00 0.00 C ATOM 1810 OE1 GLU A 112 -5.608 5.147 -15.546 1.00 0.00 O ATOM 1811 OE2 GLU A 112 -7.150 3.886 -16.345 1.00 0.00 O ATOM 0 H GLU A 112 -5.706 0.359 -13.798 1.00 0.00 H new ATOM 0 HA GLU A 112 -4.697 2.436 -15.643 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -5.313 2.550 -12.659 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -4.495 3.822 -13.545 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -7.296 2.755 -14.171 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -6.952 4.266 -13.353 1.00 0.00 H new ATOM 1818 N LYS A 113 -2.338 2.411 -14.629 1.00 0.00 N ATOM 1819 CA LYS A 113 -0.947 2.094 -14.421 1.00 0.00 C ATOM 1820 C LYS A 113 -0.582 2.190 -12.947 1.00 0.00 C ATOM 1821 O LYS A 113 -1.064 3.071 -12.226 1.00 0.00 O ATOM 1822 CB LYS A 113 -0.054 3.031 -15.238 1.00 0.00 C ATOM 1823 CG LYS A 113 -0.583 3.134 -16.678 1.00 0.00 C ATOM 1824 CD LYS A 113 -0.912 1.737 -17.212 1.00 0.00 C ATOM 1825 CE LYS A 113 -0.888 1.742 -18.745 1.00 0.00 C ATOM 1826 NZ LYS A 113 -1.674 2.899 -19.252 1.00 0.00 N ATOM 0 H LYS A 113 -2.507 3.330 -15.037 1.00 0.00 H new ATOM 0 HA LYS A 113 -0.785 1.069 -14.754 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -0.031 4.019 -14.778 1.00 0.00 H new ATOM 0 HB3 LYS A 113 0.970 2.658 -15.243 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -1.474 3.762 -16.704 1.00 0.00 H new ATOM 0 HG3 LYS A 113 0.162 3.611 -17.315 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -0.191 1.014 -16.831 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -1.894 1.425 -16.857 1.00 0.00 H new ATOM 0 HE2 LYS A 113 0.140 1.803 -19.103 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -1.304 0.810 -19.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -1.960 2.720 -20.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -2.521 3.028 -18.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -1.091 3.759 -19.212 1.00 0.00 H new ATOM 1840 N ARG A 114 0.266 1.282 -12.517 1.00 0.00 N ATOM 1841 CA ARG A 114 0.713 1.222 -11.140 1.00 0.00 C ATOM 1842 C ARG A 114 1.468 2.485 -10.767 1.00 0.00 C ATOM 1843 O ARG A 114 2.394 2.904 -11.475 1.00 0.00 O ATOM 1844 CB ARG A 114 1.589 -0.017 -10.937 1.00 0.00 C ATOM 1845 CG ARG A 114 2.709 -0.048 -11.992 1.00 0.00 C ATOM 1846 CD ARG A 114 3.064 -1.502 -12.330 1.00 0.00 C ATOM 1847 NE ARG A 114 4.211 -1.545 -13.230 1.00 0.00 N ATOM 1848 CZ ARG A 114 5.444 -1.365 -12.774 1.00 0.00 C ATOM 1849 NH1 ARG A 114 5.626 -1.175 -11.498 1.00 0.00 N ATOM 1850 NH2 ARG A 114 6.454 -1.389 -13.591 1.00 0.00 N ATOM 0 H ARG A 114 0.668 0.560 -13.115 1.00 0.00 H new ATOM 0 HA ARG A 114 -0.156 1.149 -10.487 1.00 0.00 H new ATOM 0 HB2 ARG A 114 2.021 -0.007 -9.936 1.00 0.00 H new ATOM 0 HB3 ARG A 114 0.981 -0.919 -11.013 1.00 0.00 H new ATOM 0 HG2 ARG A 114 2.388 0.476 -12.892 1.00 0.00 H new ATOM 0 HG3 ARG A 114 3.590 0.473 -11.616 1.00 0.00 H new ATOM 0 HD2 ARG A 114 3.289 -2.051 -11.416 1.00 0.00 H new ATOM 0 HD3 ARG A 114 2.209 -1.994 -12.795 1.00 0.00 H new ATOM 0 HE ARG A 114 4.063 -1.716 -14.225 1.00 0.00 H new ATOM 0 HH11 ARG A 114 4.827 -1.166 -10.865 1.00 0.00 H new ATOM 0 HH12 ARG A 114 6.568 -1.035 -11.132 1.00 0.00 H new ATOM 0 HH21 ARG A 114 6.301 -1.547 -14.587 1.00 0.00 H new ATOM 0 HH22 ARG A 114 7.400 -1.250 -13.236 1.00 0.00 H new ATOM 1864 N TYR A 115 1.046 3.110 -9.687 1.00 0.00 N ATOM 1865 CA TYR A 115 1.640 4.355 -9.237 1.00 0.00 C ATOM 1866 C TYR A 115 2.608 4.094 -8.100 1.00 0.00 C ATOM 1867 O TYR A 115 2.239 3.484 -7.099 1.00 0.00 O ATOM 1868 CB TYR A 115 0.538 5.313 -8.772 1.00 0.00 C ATOM 1869 CG TYR A 115 1.143 6.626 -8.333 1.00 0.00 C ATOM 1870 CD1 TYR A 115 1.546 7.561 -9.285 1.00 0.00 C ATOM 1871 CD2 TYR A 115 1.291 6.906 -6.972 1.00 0.00 C ATOM 1872 CE1 TYR A 115 2.097 8.778 -8.880 1.00 0.00 C ATOM 1873 CE2 TYR A 115 1.842 8.121 -6.567 1.00 0.00 C ATOM 1874 CZ TYR A 115 2.245 9.060 -7.521 1.00 0.00 C ATOM 1875 OH TYR A 115 2.782 10.265 -7.119 1.00 0.00 O ATOM 0 H TYR A 115 0.285 2.772 -9.098 1.00 0.00 H new ATOM 0 HA TYR A 115 2.186 4.806 -10.065 1.00 0.00 H new ATOM 0 HB2 TYR A 115 -0.172 5.483 -9.581 1.00 0.00 H new ATOM 0 HB3 TYR A 115 -0.019 4.867 -7.948 1.00 0.00 H new ATOM 0 HD1 TYR A 115 1.432 7.344 -10.337 1.00 0.00 H new ATOM 0 HD2 TYR A 115 0.979 6.182 -6.234 1.00 0.00 H new ATOM 0 HE1 TYR A 115 2.409 9.502 -9.619 1.00 0.00 H new ATOM 0 HE2 TYR A 115 1.958 8.337 -5.515 1.00 0.00 H new ATOM 0 HH TYR A 115 2.570 10.955 -7.782 1.00 0.00 H new ATOM 1885 N TYR A 116 3.814 4.626 -8.210 1.00 0.00 N ATOM 1886 CA TYR A 116 4.789 4.488 -7.140 1.00 0.00 C ATOM 1887 C TYR A 116 4.723 5.675 -6.215 1.00 0.00 C ATOM 1888 O TYR A 116 5.328 6.719 -6.480 1.00 0.00 O ATOM 1889 CB TYR A 116 6.204 4.361 -7.700 1.00 0.00 C ATOM 1890 CG TYR A 116 6.431 2.970 -8.226 1.00 0.00 C ATOM 1891 CD1 TYR A 116 5.842 2.571 -9.424 1.00 0.00 C ATOM 1892 CD2 TYR A 116 7.251 2.083 -7.519 1.00 0.00 C ATOM 1893 CE1 TYR A 116 6.069 1.287 -9.920 1.00 0.00 C ATOM 1894 CE2 TYR A 116 7.475 0.794 -8.012 1.00 0.00 C ATOM 1895 CZ TYR A 116 6.886 0.395 -9.214 1.00 0.00 C ATOM 1896 OH TYR A 116 7.115 -0.876 -9.712 1.00 0.00 O ATOM 0 H TYR A 116 4.140 5.152 -9.021 1.00 0.00 H new ATOM 0 HA TYR A 116 4.548 3.581 -6.586 1.00 0.00 H new ATOM 0 HB2 TYR A 116 6.354 5.088 -8.498 1.00 0.00 H new ATOM 0 HB3 TYR A 116 6.933 4.587 -6.922 1.00 0.00 H new ATOM 0 HD1 TYR A 116 5.209 3.256 -9.969 1.00 0.00 H new ATOM 0 HD2 TYR A 116 7.711 2.394 -6.593 1.00 0.00 H new ATOM 0 HE1 TYR A 116 5.614 0.980 -10.850 1.00 0.00 H new ATOM 0 HE2 TYR A 116 8.103 0.107 -7.464 1.00 0.00 H new ATOM 0 HH TYR A 116 7.704 -1.366 -9.101 1.00 0.00 H new ATOM 1906 N LEU A 117 4.037 5.501 -5.108 1.00 0.00 N ATOM 1907 CA LEU A 117 3.964 6.522 -4.089 1.00 0.00 C ATOM 1908 C LEU A 117 5.340 6.767 -3.494 1.00 0.00 C ATOM 1909 O LEU A 117 5.775 7.908 -3.359 1.00 0.00 O ATOM 1910 CB LEU A 117 2.982 6.105 -3.003 1.00 0.00 C ATOM 1911 CG LEU A 117 2.937 7.163 -1.898 1.00 0.00 C ATOM 1912 CD1 LEU A 117 2.486 8.507 -2.470 1.00 0.00 C ATOM 1913 CD2 LEU A 117 1.977 6.715 -0.807 1.00 0.00 C ATOM 0 H LEU A 117 3.516 4.652 -4.890 1.00 0.00 H new ATOM 0 HA LEU A 117 3.612 7.449 -4.541 1.00 0.00 H new ATOM 0 HB2 LEU A 117 1.988 5.974 -3.432 1.00 0.00 H new ATOM 0 HB3 LEU A 117 3.278 5.143 -2.584 1.00 0.00 H new ATOM 0 HG LEU A 117 3.935 7.282 -1.476 1.00 0.00 H new ATOM 0 HD11 LEU A 117 2.458 9.251 -1.673 1.00 0.00 H new ATOM 0 HD12 LEU A 117 3.186 8.827 -3.241 1.00 0.00 H new ATOM 0 HD13 LEU A 117 1.491 8.403 -2.904 1.00 0.00 H new ATOM 0 HD21 LEU A 117 1.944 7.468 -0.019 1.00 0.00 H new ATOM 0 HD22 LEU A 117 0.980 6.588 -1.229 1.00 0.00 H new ATOM 0 HD23 LEU A 117 2.318 5.768 -0.389 1.00 0.00 H new ATOM 1925 N ILE A 118 6.038 5.683 -3.188 1.00 0.00 N ATOM 1926 CA ILE A 118 7.391 5.771 -2.670 1.00 0.00 C ATOM 1927 C ILE A 118 8.339 5.008 -3.564 1.00 0.00 C ATOM 1928 O ILE A 118 8.166 3.806 -3.801 1.00 0.00 O ATOM 1929 CB ILE A 118 7.462 5.257 -1.217 1.00 0.00 C ATOM 1930 CG1 ILE A 118 6.622 6.174 -0.320 1.00 0.00 C ATOM 1931 CG2 ILE A 118 8.919 5.243 -0.722 1.00 0.00 C ATOM 1932 CD1 ILE A 118 6.544 5.591 1.090 1.00 0.00 C ATOM 0 H ILE A 118 5.687 4.731 -3.291 1.00 0.00 H new ATOM 0 HA ILE A 118 7.692 6.819 -2.662 1.00 0.00 H new ATOM 0 HB ILE A 118 7.073 4.240 -1.178 1.00 0.00 H new ATOM 0 HG12 ILE A 118 7.064 7.170 -0.287 1.00 0.00 H new ATOM 0 HG13 ILE A 118 5.620 6.283 -0.734 1.00 0.00 H new ATOM 0 HG21 ILE A 118 8.951 4.878 0.305 1.00 0.00 H new ATOM 0 HG22 ILE A 118 9.513 4.588 -1.359 1.00 0.00 H new ATOM 0 HG23 ILE A 118 9.326 6.253 -0.761 1.00 0.00 H new ATOM 0 HD11 ILE A 118 5.946 6.247 1.722 1.00 0.00 H new ATOM 0 HD12 ILE A 118 6.082 4.605 1.051 1.00 0.00 H new ATOM 0 HD13 ILE A 118 7.549 5.505 1.504 1.00 0.00 H new ATOM 1944 N LYS A 119 9.350 5.700 -4.039 1.00 0.00 N ATOM 1945 CA LYS A 119 10.342 5.099 -4.888 1.00 0.00 C ATOM 1946 C LYS A 119 11.418 4.473 -4.038 1.00 0.00 C ATOM 1947 O LYS A 119 11.883 5.082 -3.067 1.00 0.00 O ATOM 1948 CB LYS A 119 10.960 6.155 -5.803 1.00 0.00 C ATOM 1949 CG LYS A 119 9.845 6.924 -6.527 1.00 0.00 C ATOM 1950 CD LYS A 119 9.363 6.120 -7.743 1.00 0.00 C ATOM 1951 CE LYS A 119 9.199 7.046 -8.952 1.00 0.00 C ATOM 1952 NZ LYS A 119 10.390 7.935 -9.066 1.00 0.00 N ATOM 0 H LYS A 119 9.503 6.690 -3.846 1.00 0.00 H new ATOM 0 HA LYS A 119 9.869 4.332 -5.502 1.00 0.00 H new ATOM 0 HB2 LYS A 119 11.571 6.844 -5.220 1.00 0.00 H new ATOM 0 HB3 LYS A 119 11.620 5.680 -6.530 1.00 0.00 H new ATOM 0 HG2 LYS A 119 9.013 7.104 -5.846 1.00 0.00 H new ATOM 0 HG3 LYS A 119 10.212 7.899 -6.847 1.00 0.00 H new ATOM 0 HD2 LYS A 119 10.078 5.330 -7.974 1.00 0.00 H new ATOM 0 HD3 LYS A 119 8.414 5.634 -7.515 1.00 0.00 H new ATOM 0 HE2 LYS A 119 9.084 6.456 -9.862 1.00 0.00 H new ATOM 0 HE3 LYS A 119 8.295 7.645 -8.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 10.591 8.119 -10.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 10.199 8.835 -8.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 11.212 7.472 -8.628 1.00 0.00 H new ATOM 1966 N PRO A 120 11.835 3.292 -4.371 1.00 0.00 N ATOM 1967 CA PRO A 120 12.909 2.622 -3.613 1.00 0.00 C ATOM 1968 C PRO A 120 14.243 3.324 -3.760 1.00 0.00 C ATOM 1969 O PRO A 120 14.440 4.122 -4.680 1.00 0.00 O ATOM 1970 CB PRO A 120 12.924 1.191 -4.142 1.00 0.00 C ATOM 1971 CG PRO A 120 12.312 1.284 -5.492 1.00 0.00 C ATOM 1972 CD PRO A 120 11.280 2.405 -5.408 1.00 0.00 C ATOM 0 HA PRO A 120 12.726 2.645 -2.539 1.00 0.00 H new ATOM 0 HB2 PRO A 120 13.939 0.798 -4.193 1.00 0.00 H new ATOM 0 HB3 PRO A 120 12.356 0.523 -3.494 1.00 0.00 H new ATOM 0 HG2 PRO A 120 13.066 1.503 -6.248 1.00 0.00 H new ATOM 0 HG3 PRO A 120 11.843 0.341 -5.774 1.00 0.00 H new ATOM 0 HD2 PRO A 120 11.167 2.921 -6.361 1.00 0.00 H new ATOM 0 HD3 PRO A 120 10.296 2.027 -5.131 1.00 0.00 H new ATOM 1980 N LYS A 121 15.091 3.148 -2.761 1.00 0.00 N ATOM 1981 CA LYS A 121 16.365 3.851 -2.684 1.00 0.00 C ATOM 1982 C LYS A 121 17.036 3.933 -4.050 1.00 0.00 C ATOM 1983 O LYS A 121 17.389 5.021 -4.507 1.00 0.00 O ATOM 1984 CB LYS A 121 17.287 3.154 -1.677 1.00 0.00 C ATOM 1985 CG LYS A 121 17.188 1.618 -1.839 1.00 0.00 C ATOM 1986 CD LYS A 121 17.165 0.944 -0.459 1.00 0.00 C ATOM 1987 CE LYS A 121 18.581 0.510 -0.046 1.00 0.00 C ATOM 1988 NZ LYS A 121 19.580 1.537 -0.450 1.00 0.00 N ATOM 0 H LYS A 121 14.918 2.515 -1.980 1.00 0.00 H new ATOM 0 HA LYS A 121 16.172 4.869 -2.347 1.00 0.00 H new ATOM 0 HB2 LYS A 121 18.316 3.478 -1.830 1.00 0.00 H new ATOM 0 HB3 LYS A 121 17.011 3.439 -0.662 1.00 0.00 H new ATOM 0 HG2 LYS A 121 16.286 1.360 -2.394 1.00 0.00 H new ATOM 0 HG3 LYS A 121 18.035 1.250 -2.418 1.00 0.00 H new ATOM 0 HD2 LYS A 121 16.759 1.633 0.282 1.00 0.00 H new ATOM 0 HD3 LYS A 121 16.505 0.077 -0.483 1.00 0.00 H new ATOM 0 HE2 LYS A 121 18.621 0.360 1.033 1.00 0.00 H new ATOM 0 HE3 LYS A 121 18.825 -0.445 -0.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 20.477 1.363 0.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 19.737 1.484 -1.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 19.225 2.483 -0.203 1.00 0.00 H new