USER MOD reduce.3.24.130724 H: found=0, std=0, add=740, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 743 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 46 MET CE :methyl 170:sc= 0 (180deg=0) USER MOD Set 1.2: A 70 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 17 ASN : amide:sc= -3.25! K(o=-9.5!,f=1.1) USER MOD Set 2.2: A 40 ASN : amide:sc= -6.28! K(o=-9.5!,f=1.1) USER MOD Single : A 11 TYR OH : rot 180:sc= -0.427 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -2.77! C(o=-2.8!,f=-9.3!) USER MOD Single : A 23 SER OG : rot 170:sc= -0.0468 USER MOD Single : A 25 GLN : amide:sc= -0.0968 K(o=-0.097,f=-2) USER MOD Single : A 29 GLN : amide:sc= -0.018 K(o=-0.018,f=-0.85) USER MOD Single : A 30 LYS NZ :NH3+ 139:sc= 0.403 (180deg=-0.00994) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 MET CE :methyl -178:sc= -1.03 (180deg=-1.07) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc=-0.00845 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ -134:sc= -0.0146 (180deg=-1.03) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ -157:sc= 0.0884 (180deg=0.0228) USER MOD Single : A 65 HIS : no HD1:sc= -0.733 K(o=-0.73,f=-0.081) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 HIS : no HE2:sc= -1.7! C(o=-1.7!,f=-3.9!) USER MOD Single : A 69 HIS : no HD1:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 71 ASN : amide:sc= -5.93! C(o=-5.9!,f=-19!) USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= -0.0419 X(o=-0.042,f=-0.41) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 CYS SG : rot 29:sc= 0.00502 USER MOD Single : A 86 SER OG : rot 180:sc=-0.00696 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 HIS : no HD1:sc= -0.0674 X(o=-0.067,f=0.0056) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 HIS : no HD1:sc= -1.14 K(o=-1.1,f=-0.6) USER MOD Single : A 95 GLN : amide:sc= -0.404 K(o=-0.4,f=-4.4!) USER MOD Single : A 96 HIS : no HD1:sc=-0.00931 X(o=-0.0093,f=0) USER MOD Single : A 97 ASN : amide:sc= -0.353 X(o=-0.35,f=-0.02) USER MOD Single : A 98 SER OG : rot 180:sc= 0.0359 USER MOD Single : A 101 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 HIS : no HD1:sc= -0.0687 X(o=-0.069,f=-0.39) USER MOD Single : A 110 SER OG : rot -149:sc= 0.429 USER MOD ----------------------------------------------------------------- ATOM 66 N LEU A 8 2.900 -11.781 -8.496 1.00 0.00 N ATOM 67 CA LEU A 8 2.345 -10.432 -8.475 1.00 0.00 C ATOM 68 C LEU A 8 3.279 -9.448 -9.172 1.00 0.00 C ATOM 69 O LEU A 8 3.296 -8.259 -8.852 1.00 0.00 O ATOM 70 CB LEU A 8 2.098 -9.983 -7.033 1.00 0.00 C ATOM 71 CG LEU A 8 0.932 -10.659 -6.311 1.00 0.00 C ATOM 72 CD1 LEU A 8 0.987 -10.367 -4.820 1.00 0.00 C ATOM 73 CD2 LEU A 8 -0.396 -10.203 -6.897 1.00 0.00 C ATOM 0 HA LEU A 8 1.397 -10.448 -9.012 1.00 0.00 H new ATOM 0 HB2 LEU A 8 3.007 -10.159 -6.458 1.00 0.00 H new ATOM 0 HB3 LEU A 8 1.925 -8.907 -7.033 1.00 0.00 H new ATOM 0 HG LEU A 8 1.017 -11.736 -6.453 1.00 0.00 H new ATOM 0 HD11 LEU A 8 0.150 -10.856 -4.322 1.00 0.00 H new ATOM 0 HD12 LEU A 8 1.924 -10.744 -4.410 1.00 0.00 H new ATOM 0 HD13 LEU A 8 0.927 -9.291 -4.658 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -1.214 -10.695 -6.370 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -0.491 -9.123 -6.787 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -0.436 -10.464 -7.954 1.00 0.00 H new ATOM 85 N ASP A 9 4.052 -9.951 -10.129 1.00 0.00 N ATOM 86 CA ASP A 9 4.986 -9.116 -10.875 1.00 0.00 C ATOM 87 C ASP A 9 4.243 -8.196 -11.838 1.00 0.00 C ATOM 88 O ASP A 9 4.618 -7.038 -12.018 1.00 0.00 O ATOM 89 CB ASP A 9 5.979 -9.988 -11.646 1.00 0.00 C ATOM 90 CG ASP A 9 6.900 -9.172 -12.531 1.00 0.00 C ATOM 91 OD1 ASP A 9 7.940 -8.699 -12.027 1.00 0.00 O ATOM 92 OD2 ASP A 9 6.581 -9.005 -13.727 1.00 0.00 O ATOM 0 H ASP A 9 4.050 -10.933 -10.406 1.00 0.00 H new ATOM 0 HA ASP A 9 5.533 -8.499 -10.162 1.00 0.00 H new ATOM 0 HB2 ASP A 9 6.576 -10.565 -10.940 1.00 0.00 H new ATOM 0 HB3 ASP A 9 5.430 -10.703 -12.259 1.00 0.00 H new ATOM 97 N ASP A 10 3.189 -8.720 -12.454 1.00 0.00 N ATOM 98 CA ASP A 10 2.393 -7.946 -13.399 1.00 0.00 C ATOM 99 C ASP A 10 2.192 -6.519 -12.898 1.00 0.00 C ATOM 100 O ASP A 10 2.430 -5.555 -13.627 1.00 0.00 O ATOM 101 CB ASP A 10 1.037 -8.616 -13.626 1.00 0.00 C ATOM 102 CG ASP A 10 0.260 -7.980 -14.761 1.00 0.00 C ATOM 103 OD1 ASP A 10 0.439 -8.414 -15.919 1.00 0.00 O ATOM 104 OD2 ASP A 10 -0.528 -7.050 -14.492 1.00 0.00 O ATOM 0 H ASP A 10 2.866 -9.678 -12.316 1.00 0.00 H new ATOM 0 HA ASP A 10 2.933 -7.908 -14.345 1.00 0.00 H new ATOM 0 HB2 ASP A 10 1.189 -9.674 -13.842 1.00 0.00 H new ATOM 0 HB3 ASP A 10 0.449 -8.559 -12.710 1.00 0.00 H new ATOM 109 N TYR A 11 1.750 -6.392 -11.652 1.00 0.00 N ATOM 110 CA TYR A 11 1.512 -5.083 -11.056 1.00 0.00 C ATOM 111 C TYR A 11 2.824 -4.333 -10.846 1.00 0.00 C ATOM 112 O TYR A 11 3.890 -4.941 -10.743 1.00 0.00 O ATOM 113 CB TYR A 11 0.779 -5.233 -9.721 1.00 0.00 C ATOM 114 CG TYR A 11 -0.514 -6.008 -9.826 1.00 0.00 C ATOM 115 CD1 TYR A 11 -1.632 -5.456 -10.440 1.00 0.00 C ATOM 116 CD2 TYR A 11 -0.618 -7.294 -9.309 1.00 0.00 C ATOM 117 CE1 TYR A 11 -2.815 -6.162 -10.535 1.00 0.00 C ATOM 118 CE2 TYR A 11 -1.798 -8.008 -9.402 1.00 0.00 C ATOM 119 CZ TYR A 11 -2.894 -7.437 -10.015 1.00 0.00 C ATOM 120 OH TYR A 11 -4.070 -8.143 -10.111 1.00 0.00 O ATOM 0 H TYR A 11 1.549 -7.179 -11.035 1.00 0.00 H new ATOM 0 HA TYR A 11 0.891 -4.507 -11.742 1.00 0.00 H new ATOM 0 HB2 TYR A 11 1.436 -5.733 -9.009 1.00 0.00 H new ATOM 0 HB3 TYR A 11 0.568 -4.242 -9.318 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -1.575 -4.458 -10.850 1.00 0.00 H new ATOM 0 HD2 TYR A 11 0.238 -7.743 -8.826 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -3.675 -5.718 -11.014 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -1.862 -9.007 -8.997 1.00 0.00 H new ATOM 0 HH TYR A 11 -3.958 -9.024 -9.696 1.00 0.00 H new ATOM 130 N ASP A 12 2.739 -3.009 -10.784 1.00 0.00 N ATOM 131 CA ASP A 12 3.918 -2.175 -10.586 1.00 0.00 C ATOM 132 C ASP A 12 4.120 -1.863 -9.106 1.00 0.00 C ATOM 133 O ASP A 12 5.172 -2.155 -8.538 1.00 0.00 O ATOM 134 CB ASP A 12 3.789 -0.874 -11.381 1.00 0.00 C ATOM 135 CG ASP A 12 3.620 -1.118 -12.867 1.00 0.00 C ATOM 136 OD1 ASP A 12 4.519 -1.740 -13.472 1.00 0.00 O ATOM 137 OD2 ASP A 12 2.590 -0.689 -13.426 1.00 0.00 O ATOM 0 H ASP A 12 1.865 -2.490 -10.868 1.00 0.00 H new ATOM 0 HA ASP A 12 4.787 -2.726 -10.945 1.00 0.00 H new ATOM 0 HB2 ASP A 12 2.935 -0.308 -11.009 1.00 0.00 H new ATOM 0 HB3 ASP A 12 4.675 -0.261 -11.215 1.00 0.00 H new ATOM 142 N TRP A 13 3.106 -1.267 -8.489 1.00 0.00 N ATOM 143 CA TRP A 13 3.173 -0.915 -7.076 1.00 0.00 C ATOM 144 C TRP A 13 3.792 -2.045 -6.261 1.00 0.00 C ATOM 145 O TRP A 13 4.610 -1.808 -5.372 1.00 0.00 O ATOM 146 CB TRP A 13 1.776 -0.591 -6.542 1.00 0.00 C ATOM 147 CG TRP A 13 0.707 -1.478 -7.104 1.00 0.00 C ATOM 148 CD1 TRP A 13 -0.133 -1.193 -8.141 1.00 0.00 C ATOM 149 CD2 TRP A 13 0.361 -2.794 -6.655 1.00 0.00 C ATOM 150 NE1 TRP A 13 -0.981 -2.251 -8.366 1.00 0.00 N ATOM 151 CE2 TRP A 13 -0.697 -3.247 -7.468 1.00 0.00 C ATOM 152 CE3 TRP A 13 0.845 -3.634 -5.648 1.00 0.00 C ATOM 153 CZ2 TRP A 13 -1.278 -4.501 -7.303 1.00 0.00 C ATOM 154 CZ3 TRP A 13 0.266 -4.878 -5.485 1.00 0.00 C ATOM 155 CH2 TRP A 13 -0.785 -5.302 -6.309 1.00 0.00 C ATOM 0 H TRP A 13 2.228 -1.018 -8.945 1.00 0.00 H new ATOM 0 HA TRP A 13 3.806 -0.033 -6.978 1.00 0.00 H new ATOM 0 HB2 TRP A 13 1.780 -0.681 -5.456 1.00 0.00 H new ATOM 0 HB3 TRP A 13 1.537 0.447 -6.775 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -0.132 -0.271 -8.703 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -1.704 -2.289 -9.084 1.00 0.00 H new ATOM 0 HE3 TRP A 13 1.656 -3.317 -5.009 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -2.089 -4.830 -7.936 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 0.630 -5.535 -4.709 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -1.215 -6.281 -6.157 1.00 0.00 H new ATOM 166 N PHE A 14 3.398 -3.276 -6.570 1.00 0.00 N ATOM 167 CA PHE A 14 3.915 -4.444 -5.866 1.00 0.00 C ATOM 168 C PHE A 14 5.429 -4.354 -5.701 1.00 0.00 C ATOM 169 O PHE A 14 6.185 -4.721 -6.599 1.00 0.00 O ATOM 170 CB PHE A 14 3.549 -5.724 -6.620 1.00 0.00 C ATOM 171 CG PHE A 14 3.912 -6.980 -5.881 1.00 0.00 C ATOM 172 CD1 PHE A 14 3.432 -7.210 -4.602 1.00 0.00 C ATOM 173 CD2 PHE A 14 4.734 -7.929 -6.465 1.00 0.00 C ATOM 174 CE1 PHE A 14 3.764 -8.366 -3.919 1.00 0.00 C ATOM 175 CE2 PHE A 14 5.071 -9.087 -5.787 1.00 0.00 C ATOM 176 CZ PHE A 14 4.585 -9.304 -4.513 1.00 0.00 C ATOM 0 H PHE A 14 2.722 -3.491 -7.303 1.00 0.00 H new ATOM 0 HA PHE A 14 3.460 -4.471 -4.876 1.00 0.00 H new ATOM 0 HB2 PHE A 14 2.477 -5.726 -6.818 1.00 0.00 H new ATOM 0 HB3 PHE A 14 4.052 -5.723 -7.587 1.00 0.00 H new ATOM 0 HD1 PHE A 14 2.791 -6.478 -4.133 1.00 0.00 H new ATOM 0 HD2 PHE A 14 5.117 -7.763 -7.461 1.00 0.00 H new ATOM 0 HE1 PHE A 14 3.382 -8.535 -2.923 1.00 0.00 H new ATOM 0 HE2 PHE A 14 5.713 -9.820 -6.253 1.00 0.00 H new ATOM 0 HZ PHE A 14 4.847 -10.207 -3.981 1.00 0.00 H new ATOM 186 N ALA A 15 5.864 -3.861 -4.545 1.00 0.00 N ATOM 187 CA ALA A 15 7.287 -3.724 -4.260 1.00 0.00 C ATOM 188 C ALA A 15 7.943 -5.086 -4.069 1.00 0.00 C ATOM 189 O ALA A 15 8.949 -5.397 -4.706 1.00 0.00 O ATOM 190 CB ALA A 15 7.497 -2.856 -3.028 1.00 0.00 C ATOM 0 H ALA A 15 5.251 -3.550 -3.791 1.00 0.00 H new ATOM 0 HA ALA A 15 7.759 -3.241 -5.116 1.00 0.00 H new ATOM 0 HB1 ALA A 15 8.564 -2.762 -2.827 1.00 0.00 H new ATOM 0 HB2 ALA A 15 7.072 -1.867 -3.203 1.00 0.00 H new ATOM 0 HB3 ALA A 15 7.005 -3.316 -2.171 1.00 0.00 H new ATOM 196 N GLY A 16 7.367 -5.897 -3.186 1.00 0.00 N ATOM 197 CA GLY A 16 7.910 -7.217 -2.927 1.00 0.00 C ATOM 198 C GLY A 16 8.887 -7.225 -1.767 1.00 0.00 C ATOM 199 O GLY A 16 8.874 -6.322 -0.931 1.00 0.00 O ATOM 0 H GLY A 16 6.534 -5.663 -2.646 1.00 0.00 H new ATOM 0 HA2 GLY A 16 7.093 -7.907 -2.715 1.00 0.00 H new ATOM 0 HA3 GLY A 16 8.412 -7.582 -3.823 1.00 0.00 H new ATOM 203 N ASN A 17 9.736 -8.246 -1.717 1.00 0.00 N ATOM 204 CA ASN A 17 10.722 -8.368 -0.651 1.00 0.00 C ATOM 205 C ASN A 17 11.655 -7.161 -0.632 1.00 0.00 C ATOM 206 O ASN A 17 12.598 -7.081 -1.421 1.00 0.00 O ATOM 207 CB ASN A 17 11.535 -9.653 -0.823 1.00 0.00 C ATOM 208 CG ASN A 17 10.660 -10.852 -1.134 1.00 0.00 C ATOM 209 OD1 ASN A 17 10.784 -11.466 -2.194 1.00 0.00 O ATOM 210 ND2 ASN A 17 9.770 -11.191 -0.209 1.00 0.00 N ATOM 0 H ASN A 17 9.761 -9.001 -2.403 1.00 0.00 H new ATOM 0 HA ASN A 17 10.189 -8.408 0.299 1.00 0.00 H new ATOM 0 HB2 ASN A 17 12.259 -9.517 -1.626 1.00 0.00 H new ATOM 0 HB3 ASN A 17 12.102 -9.846 0.088 1.00 0.00 H new ATOM 0 HD21 ASN A 17 9.154 -11.989 -0.362 1.00 0.00 H new ATOM 0 HD22 ASN A 17 9.702 -10.653 0.655 1.00 0.00 H new ATOM 217 N ILE A 18 11.388 -6.226 0.274 1.00 0.00 N ATOM 218 CA ILE A 18 12.205 -5.026 0.395 1.00 0.00 C ATOM 219 C ILE A 18 12.746 -4.870 1.812 1.00 0.00 C ATOM 220 O ILE A 18 12.556 -5.743 2.660 1.00 0.00 O ATOM 221 CB ILE A 18 11.408 -3.762 0.022 1.00 0.00 C ATOM 222 CG1 ILE A 18 10.166 -3.636 0.906 1.00 0.00 C ATOM 223 CG2 ILE A 18 11.016 -3.798 -1.448 1.00 0.00 C ATOM 224 CD1 ILE A 18 10.447 -3.017 2.258 1.00 0.00 C ATOM 0 H ILE A 18 10.612 -6.277 0.934 1.00 0.00 H new ATOM 0 HA ILE A 18 13.037 -5.140 -0.300 1.00 0.00 H new ATOM 0 HB ILE A 18 12.040 -2.890 0.189 1.00 0.00 H new ATOM 0 HG12 ILE A 18 9.420 -3.033 0.387 1.00 0.00 H new ATOM 0 HG13 ILE A 18 9.732 -4.625 1.051 1.00 0.00 H new ATOM 0 HG21 ILE A 18 10.453 -2.898 -1.697 1.00 0.00 H new ATOM 0 HG22 ILE A 18 11.915 -3.846 -2.063 1.00 0.00 H new ATOM 0 HG23 ILE A 18 10.399 -4.676 -1.639 1.00 0.00 H new ATOM 0 HD11 ILE A 18 9.522 -2.959 2.831 1.00 0.00 H new ATOM 0 HD12 ILE A 18 11.169 -3.631 2.796 1.00 0.00 H new ATOM 0 HD13 ILE A 18 10.853 -2.015 2.122 1.00 0.00 H new ATOM 236 N SER A 19 13.422 -3.753 2.063 1.00 0.00 N ATOM 237 CA SER A 19 13.993 -3.484 3.377 1.00 0.00 C ATOM 238 C SER A 19 13.395 -2.217 3.980 1.00 0.00 C ATOM 239 O SER A 19 13.246 -1.202 3.299 1.00 0.00 O ATOM 240 CB SER A 19 15.514 -3.347 3.277 1.00 0.00 C ATOM 241 OG SER A 19 16.148 -4.611 3.380 1.00 0.00 O ATOM 0 H SER A 19 13.587 -3.020 1.373 1.00 0.00 H new ATOM 0 HA SER A 19 13.753 -4.324 4.029 1.00 0.00 H new ATOM 0 HB2 SER A 19 15.779 -2.880 2.328 1.00 0.00 H new ATOM 0 HB3 SER A 19 15.876 -2.690 4.068 1.00 0.00 H new ATOM 0 HG SER A 19 17.119 -4.497 3.311 1.00 0.00 H new ATOM 247 N ARG A 20 13.055 -2.283 5.264 1.00 0.00 N ATOM 248 CA ARG A 20 12.472 -1.143 5.959 1.00 0.00 C ATOM 249 C ARG A 20 13.086 0.166 5.468 1.00 0.00 C ATOM 250 O ARG A 20 12.422 1.203 5.441 1.00 0.00 O ATOM 251 CB ARG A 20 12.677 -1.279 7.469 1.00 0.00 C ATOM 252 CG ARG A 20 14.138 -1.269 7.888 1.00 0.00 C ATOM 253 CD ARG A 20 14.347 -2.010 9.199 1.00 0.00 C ATOM 254 NE ARG A 20 15.730 -2.449 9.367 1.00 0.00 N ATOM 255 CZ ARG A 20 16.270 -2.744 10.544 1.00 0.00 C ATOM 256 NH1 ARG A 20 15.547 -2.648 11.652 1.00 0.00 N ATOM 257 NH2 ARG A 20 17.535 -3.137 10.615 1.00 0.00 N ATOM 0 H ARG A 20 13.174 -3.114 5.843 1.00 0.00 H new ATOM 0 HA ARG A 20 11.404 -1.127 5.744 1.00 0.00 H new ATOM 0 HB2 ARG A 20 12.158 -0.464 7.973 1.00 0.00 H new ATOM 0 HB3 ARG A 20 12.217 -2.207 7.808 1.00 0.00 H new ATOM 0 HG2 ARG A 20 14.744 -1.729 7.108 1.00 0.00 H new ATOM 0 HG3 ARG A 20 14.481 -0.240 7.992 1.00 0.00 H new ATOM 0 HD2 ARG A 20 14.069 -1.361 10.030 1.00 0.00 H new ATOM 0 HD3 ARG A 20 13.685 -2.875 9.235 1.00 0.00 H new ATOM 0 HE ARG A 20 16.313 -2.534 8.534 1.00 0.00 H new ATOM 0 HH11 ARG A 20 14.574 -2.347 11.601 1.00 0.00 H new ATOM 0 HH12 ARG A 20 15.964 -2.875 12.555 1.00 0.00 H new ATOM 0 HH21 ARG A 20 18.094 -3.213 9.765 1.00 0.00 H new ATOM 0 HH22 ARG A 20 17.949 -3.363 11.519 1.00 0.00 H new ATOM 271 N SER A 21 14.356 0.109 5.081 1.00 0.00 N ATOM 272 CA SER A 21 15.060 1.289 4.595 1.00 0.00 C ATOM 273 C SER A 21 14.648 1.616 3.163 1.00 0.00 C ATOM 274 O SER A 21 14.280 2.751 2.857 1.00 0.00 O ATOM 275 CB SER A 21 16.573 1.071 4.665 1.00 0.00 C ATOM 276 OG SER A 21 17.071 1.356 5.961 1.00 0.00 O ATOM 0 H SER A 21 14.918 -0.742 5.095 1.00 0.00 H new ATOM 0 HA SER A 21 14.791 2.131 5.233 1.00 0.00 H new ATOM 0 HB2 SER A 21 16.807 0.040 4.401 1.00 0.00 H new ATOM 0 HB3 SER A 21 17.069 1.708 3.933 1.00 0.00 H new ATOM 0 HG SER A 21 18.039 1.207 5.979 1.00 0.00 H new ATOM 282 N GLN A 22 14.712 0.616 2.291 1.00 0.00 N ATOM 283 CA GLN A 22 14.346 0.797 0.892 1.00 0.00 C ATOM 284 C GLN A 22 12.922 1.330 0.767 1.00 0.00 C ATOM 285 O GLN A 22 12.691 2.371 0.152 1.00 0.00 O ATOM 286 CB GLN A 22 14.477 -0.524 0.133 1.00 0.00 C ATOM 287 CG GLN A 22 15.886 -0.801 -0.367 1.00 0.00 C ATOM 288 CD GLN A 22 16.861 -1.080 0.760 1.00 0.00 C ATOM 289 OE1 GLN A 22 16.904 -0.352 1.753 1.00 0.00 O ATOM 290 NE2 GLN A 22 17.650 -2.138 0.613 1.00 0.00 N ATOM 0 H GLN A 22 15.014 -0.329 2.529 1.00 0.00 H new ATOM 0 HA GLN A 22 15.028 1.527 0.456 1.00 0.00 H new ATOM 0 HB2 GLN A 22 14.164 -1.340 0.784 1.00 0.00 H new ATOM 0 HB3 GLN A 22 13.794 -0.515 -0.717 1.00 0.00 H new ATOM 0 HG2 GLN A 22 15.866 -1.655 -1.044 1.00 0.00 H new ATOM 0 HG3 GLN A 22 16.238 0.055 -0.943 1.00 0.00 H new ATOM 0 HE21 GLN A 22 17.580 -2.713 -0.226 1.00 0.00 H new ATOM 0 HE22 GLN A 22 18.326 -2.375 1.339 1.00 0.00 H new ATOM 299 N SER A 23 11.972 0.610 1.353 1.00 0.00 N ATOM 300 CA SER A 23 10.570 1.008 1.303 1.00 0.00 C ATOM 301 C SER A 23 10.428 2.516 1.476 1.00 0.00 C ATOM 302 O SER A 23 9.829 3.192 0.640 1.00 0.00 O ATOM 303 CB SER A 23 9.773 0.280 2.388 1.00 0.00 C ATOM 304 OG SER A 23 10.584 -0.003 3.514 1.00 0.00 O ATOM 0 H SER A 23 12.147 -0.253 1.868 1.00 0.00 H new ATOM 0 HA SER A 23 10.173 0.734 0.326 1.00 0.00 H new ATOM 0 HB2 SER A 23 8.924 0.892 2.692 1.00 0.00 H new ATOM 0 HB3 SER A 23 9.368 -0.648 1.985 1.00 0.00 H new ATOM 0 HG SER A 23 10.021 -0.320 4.251 1.00 0.00 H new ATOM 310 N GLU A 24 10.982 3.036 2.567 1.00 0.00 N ATOM 311 CA GLU A 24 10.916 4.465 2.850 1.00 0.00 C ATOM 312 C GLU A 24 11.726 5.259 1.830 1.00 0.00 C ATOM 313 O GLU A 24 11.175 6.047 1.061 1.00 0.00 O ATOM 314 CB GLU A 24 11.430 4.752 4.262 1.00 0.00 C ATOM 315 CG GLU A 24 10.428 4.418 5.354 1.00 0.00 C ATOM 316 CD GLU A 24 11.037 4.475 6.742 1.00 0.00 C ATOM 317 OE1 GLU A 24 12.196 4.036 6.899 1.00 0.00 O ATOM 318 OE2 GLU A 24 10.355 4.957 7.670 1.00 0.00 O ATOM 0 H GLU A 24 11.481 2.489 3.269 1.00 0.00 H new ATOM 0 HA GLU A 24 9.873 4.776 2.781 1.00 0.00 H new ATOM 0 HB2 GLU A 24 12.342 4.180 4.431 1.00 0.00 H new ATOM 0 HB3 GLU A 24 11.697 5.806 4.335 1.00 0.00 H new ATOM 0 HG2 GLU A 24 9.591 5.114 5.300 1.00 0.00 H new ATOM 0 HG3 GLU A 24 10.024 3.421 5.179 1.00 0.00 H new ATOM 325 N GLN A 25 13.039 5.048 1.831 1.00 0.00 N ATOM 326 CA GLN A 25 13.925 5.745 0.908 1.00 0.00 C ATOM 327 C GLN A 25 13.245 5.965 -0.440 1.00 0.00 C ATOM 328 O GLN A 25 13.127 7.097 -0.911 1.00 0.00 O ATOM 329 CB GLN A 25 15.220 4.954 0.715 1.00 0.00 C ATOM 330 CG GLN A 25 16.356 5.779 0.134 1.00 0.00 C ATOM 331 CD GLN A 25 16.974 6.719 1.151 1.00 0.00 C ATOM 332 OE1 GLN A 25 16.457 6.883 2.255 1.00 0.00 O ATOM 333 NE2 GLN A 25 18.086 7.343 0.781 1.00 0.00 N ATOM 0 H GLN A 25 13.512 4.400 2.461 1.00 0.00 H new ATOM 0 HA GLN A 25 14.162 6.718 1.338 1.00 0.00 H new ATOM 0 HB2 GLN A 25 15.533 4.546 1.676 1.00 0.00 H new ATOM 0 HB3 GLN A 25 15.024 4.107 0.057 1.00 0.00 H new ATOM 0 HG2 GLN A 25 17.125 5.110 -0.252 1.00 0.00 H new ATOM 0 HG3 GLN A 25 15.984 6.358 -0.711 1.00 0.00 H new ATOM 0 HE21 GLN A 25 18.480 7.177 -0.145 1.00 0.00 H new ATOM 0 HE22 GLN A 25 18.546 7.989 1.423 1.00 0.00 H new ATOM 342 N LEU A 26 12.797 4.876 -1.055 1.00 0.00 N ATOM 343 CA LEU A 26 12.128 4.949 -2.350 1.00 0.00 C ATOM 344 C LEU A 26 11.081 6.058 -2.359 1.00 0.00 C ATOM 345 O LEU A 26 11.200 7.033 -3.103 1.00 0.00 O ATOM 346 CB LEU A 26 11.470 3.609 -2.682 1.00 0.00 C ATOM 347 CG LEU A 26 12.417 2.478 -3.086 1.00 0.00 C ATOM 348 CD1 LEU A 26 11.651 1.176 -3.258 1.00 0.00 C ATOM 349 CD2 LEU A 26 13.156 2.836 -4.368 1.00 0.00 C ATOM 0 H LEU A 26 12.885 3.932 -0.678 1.00 0.00 H new ATOM 0 HA LEU A 26 12.878 5.176 -3.107 1.00 0.00 H new ATOM 0 HB2 LEU A 26 10.897 3.283 -1.814 1.00 0.00 H new ATOM 0 HB3 LEU A 26 10.759 3.767 -3.493 1.00 0.00 H new ATOM 0 HG LEU A 26 13.150 2.342 -2.291 1.00 0.00 H new ATOM 0 HD11 LEU A 26 12.341 0.383 -3.545 1.00 0.00 H new ATOM 0 HD12 LEU A 26 11.166 0.912 -2.318 1.00 0.00 H new ATOM 0 HD13 LEU A 26 10.895 1.298 -4.034 1.00 0.00 H new ATOM 0 HD21 LEU A 26 13.826 2.021 -4.642 1.00 0.00 H new ATOM 0 HD22 LEU A 26 12.436 2.999 -5.170 1.00 0.00 H new ATOM 0 HD23 LEU A 26 13.736 3.745 -4.212 1.00 0.00 H new ATOM 361 N LEU A 27 10.057 5.905 -1.527 1.00 0.00 N ATOM 362 CA LEU A 27 8.989 6.895 -1.438 1.00 0.00 C ATOM 363 C LEU A 27 9.559 8.290 -1.202 1.00 0.00 C ATOM 364 O LEU A 27 9.418 9.180 -2.042 1.00 0.00 O ATOM 365 CB LEU A 27 8.022 6.531 -0.311 1.00 0.00 C ATOM 366 CG LEU A 27 7.084 5.355 -0.586 1.00 0.00 C ATOM 367 CD1 LEU A 27 6.593 4.748 0.719 1.00 0.00 C ATOM 368 CD2 LEU A 27 5.910 5.798 -1.445 1.00 0.00 C ATOM 0 H LEU A 27 9.943 5.105 -0.904 1.00 0.00 H new ATOM 0 HA LEU A 27 8.450 6.897 -2.385 1.00 0.00 H new ATOM 0 HB2 LEU A 27 8.605 6.304 0.582 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.416 7.408 -0.082 1.00 0.00 H new ATOM 0 HG LEU A 27 7.639 4.592 -1.132 1.00 0.00 H new ATOM 0 HD11 LEU A 27 5.927 3.913 0.504 1.00 0.00 H new ATOM 0 HD12 LEU A 27 7.445 4.393 1.298 1.00 0.00 H new ATOM 0 HD13 LEU A 27 6.055 5.503 1.292 1.00 0.00 H new ATOM 0 HD21 LEU A 27 5.253 4.948 -1.630 1.00 0.00 H new ATOM 0 HD22 LEU A 27 5.354 6.579 -0.927 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.280 6.185 -2.395 1.00 0.00 H new ATOM 380 N ARG A 28 10.205 8.475 -0.055 1.00 0.00 N ATOM 381 CA ARG A 28 10.798 9.762 0.290 1.00 0.00 C ATOM 382 C ARG A 28 11.443 10.409 -0.932 1.00 0.00 C ATOM 383 O ARG A 28 11.399 11.627 -1.096 1.00 0.00 O ATOM 384 CB ARG A 28 11.838 9.587 1.398 1.00 0.00 C ATOM 385 CG ARG A 28 11.244 9.596 2.797 1.00 0.00 C ATOM 386 CD ARG A 28 12.214 9.019 3.817 1.00 0.00 C ATOM 387 NE ARG A 28 11.853 9.384 5.183 1.00 0.00 N ATOM 388 CZ ARG A 28 12.184 10.541 5.747 1.00 0.00 C ATOM 389 NH1 ARG A 28 12.880 11.440 5.064 1.00 0.00 N ATOM 390 NH2 ARG A 28 11.819 10.801 6.996 1.00 0.00 N ATOM 0 H ARG A 28 10.331 7.750 0.651 1.00 0.00 H new ATOM 0 HA ARG A 28 10.003 10.416 0.648 1.00 0.00 H new ATOM 0 HB2 ARG A 28 12.367 8.647 1.243 1.00 0.00 H new ATOM 0 HB3 ARG A 28 12.577 10.385 1.321 1.00 0.00 H new ATOM 0 HG2 ARG A 28 10.984 10.617 3.077 1.00 0.00 H new ATOM 0 HG3 ARG A 28 10.320 9.019 2.805 1.00 0.00 H new ATOM 0 HD2 ARG A 28 12.233 7.933 3.725 1.00 0.00 H new ATOM 0 HD3 ARG A 28 13.221 9.375 3.601 1.00 0.00 H new ATOM 0 HE ARG A 28 11.317 8.714 5.735 1.00 0.00 H new ATOM 0 HH11 ARG A 28 13.162 11.244 4.104 1.00 0.00 H new ATOM 0 HH12 ARG A 28 13.133 12.327 5.499 1.00 0.00 H new ATOM 0 HH21 ARG A 28 11.284 10.112 7.525 1.00 0.00 H new ATOM 0 HH22 ARG A 28 12.074 11.689 7.427 1.00 0.00 H new ATOM 404 N GLN A 29 12.042 9.584 -1.785 1.00 0.00 N ATOM 405 CA GLN A 29 12.698 10.076 -2.990 1.00 0.00 C ATOM 406 C GLN A 29 11.685 10.296 -4.110 1.00 0.00 C ATOM 407 O GLN A 29 11.805 11.238 -4.893 1.00 0.00 O ATOM 408 CB GLN A 29 13.776 9.092 -3.448 1.00 0.00 C ATOM 409 CG GLN A 29 13.976 9.067 -4.955 1.00 0.00 C ATOM 410 CD GLN A 29 15.406 8.752 -5.348 1.00 0.00 C ATOM 411 OE1 GLN A 29 16.173 8.204 -4.555 1.00 0.00 O ATOM 412 NE2 GLN A 29 15.772 9.096 -6.577 1.00 0.00 N ATOM 0 H GLN A 29 12.086 8.572 -1.664 1.00 0.00 H new ATOM 0 HA GLN A 29 13.166 11.032 -2.754 1.00 0.00 H new ATOM 0 HB2 GLN A 29 14.720 9.351 -2.969 1.00 0.00 H new ATOM 0 HB3 GLN A 29 13.510 8.091 -3.108 1.00 0.00 H new ATOM 0 HG2 GLN A 29 13.310 8.324 -5.394 1.00 0.00 H new ATOM 0 HG3 GLN A 29 13.693 10.034 -5.371 1.00 0.00 H new ATOM 0 HE21 GLN A 29 15.103 9.548 -7.201 1.00 0.00 H new ATOM 0 HE22 GLN A 29 16.722 8.908 -6.898 1.00 0.00 H new ATOM 421 N LYS A 30 10.688 9.421 -4.179 1.00 0.00 N ATOM 422 CA LYS A 30 9.654 9.518 -5.201 1.00 0.00 C ATOM 423 C LYS A 30 9.190 10.962 -5.370 1.00 0.00 C ATOM 424 O LYS A 30 9.029 11.446 -6.489 1.00 0.00 O ATOM 425 CB LYS A 30 8.463 8.628 -4.838 1.00 0.00 C ATOM 426 CG LYS A 30 7.458 8.466 -5.965 1.00 0.00 C ATOM 427 CD LYS A 30 8.013 7.607 -7.088 1.00 0.00 C ATOM 428 CE LYS A 30 6.902 7.045 -7.961 1.00 0.00 C ATOM 429 NZ LYS A 30 7.295 5.758 -8.600 1.00 0.00 N ATOM 0 H LYS A 30 10.574 8.636 -3.538 1.00 0.00 H new ATOM 0 HA LYS A 30 10.079 9.178 -6.145 1.00 0.00 H new ATOM 0 HB2 LYS A 30 8.831 7.644 -4.547 1.00 0.00 H new ATOM 0 HB3 LYS A 30 7.957 9.049 -3.969 1.00 0.00 H new ATOM 0 HG2 LYS A 30 6.545 8.014 -5.577 1.00 0.00 H new ATOM 0 HG3 LYS A 30 7.187 9.447 -6.356 1.00 0.00 H new ATOM 0 HD2 LYS A 30 8.693 8.200 -7.700 1.00 0.00 H new ATOM 0 HD3 LYS A 30 8.596 6.788 -6.667 1.00 0.00 H new ATOM 0 HE2 LYS A 30 6.008 6.892 -7.357 1.00 0.00 H new ATOM 0 HE3 LYS A 30 6.645 7.770 -8.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 6.492 5.098 -8.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 7.570 5.931 -9.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 8.099 5.346 -8.084 1.00 0.00 H new ATOM 443 N GLY A 31 8.979 11.646 -4.249 1.00 0.00 N ATOM 444 CA GLY A 31 8.537 13.027 -4.296 1.00 0.00 C ATOM 445 C GLY A 31 7.182 13.181 -4.957 1.00 0.00 C ATOM 446 O GLY A 31 6.824 14.268 -5.411 1.00 0.00 O ATOM 0 H GLY A 31 9.106 11.268 -3.310 1.00 0.00 H new ATOM 0 HA2 GLY A 31 8.490 13.425 -3.282 1.00 0.00 H new ATOM 0 HA3 GLY A 31 9.272 13.622 -4.838 1.00 0.00 H new ATOM 450 N LYS A 32 6.425 12.090 -5.013 1.00 0.00 N ATOM 451 CA LYS A 32 5.102 12.107 -5.624 1.00 0.00 C ATOM 452 C LYS A 32 4.012 11.945 -4.568 1.00 0.00 C ATOM 453 O LYS A 32 3.746 10.836 -4.105 1.00 0.00 O ATOM 454 CB LYS A 32 4.985 10.994 -6.668 1.00 0.00 C ATOM 455 CG LYS A 32 6.019 11.088 -7.776 1.00 0.00 C ATOM 456 CD LYS A 32 5.509 11.913 -8.947 1.00 0.00 C ATOM 457 CE LYS A 32 5.892 13.378 -8.804 1.00 0.00 C ATOM 458 NZ LYS A 32 7.204 13.673 -9.446 1.00 0.00 N ATOM 0 H LYS A 32 6.706 11.182 -4.642 1.00 0.00 H new ATOM 0 HA LYS A 32 4.968 13.072 -6.114 1.00 0.00 H new ATOM 0 HB2 LYS A 32 5.084 10.029 -6.171 1.00 0.00 H new ATOM 0 HB3 LYS A 32 3.989 11.024 -7.109 1.00 0.00 H new ATOM 0 HG2 LYS A 32 6.933 11.536 -7.385 1.00 0.00 H new ATOM 0 HG3 LYS A 32 6.277 10.086 -8.120 1.00 0.00 H new ATOM 0 HD2 LYS A 32 5.917 11.518 -9.877 1.00 0.00 H new ATOM 0 HD3 LYS A 32 4.425 11.824 -9.012 1.00 0.00 H new ATOM 0 HE2 LYS A 32 5.119 14.001 -9.254 1.00 0.00 H new ATOM 0 HE3 LYS A 32 5.938 13.640 -7.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 7.430 14.681 -9.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 7.946 13.097 -9.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 7.153 13.447 -10.460 1.00 0.00 H new ATOM 472 N GLU A 33 3.388 13.057 -4.193 1.00 0.00 N ATOM 473 CA GLU A 33 2.327 13.036 -3.193 1.00 0.00 C ATOM 474 C GLU A 33 1.239 12.036 -3.573 1.00 0.00 C ATOM 475 O GLU A 33 0.500 12.242 -4.535 1.00 0.00 O ATOM 476 CB GLU A 33 1.720 14.431 -3.031 1.00 0.00 C ATOM 477 CG GLU A 33 0.452 14.449 -2.194 1.00 0.00 C ATOM 478 CD GLU A 33 0.735 14.477 -0.705 1.00 0.00 C ATOM 479 OE1 GLU A 33 1.110 15.554 -0.193 1.00 0.00 O ATOM 480 OE2 GLU A 33 0.585 13.424 -0.052 1.00 0.00 O ATOM 0 H GLU A 33 3.598 13.983 -4.566 1.00 0.00 H new ATOM 0 HA GLU A 33 2.764 12.726 -2.244 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.458 15.088 -2.571 1.00 0.00 H new ATOM 0 HB3 GLU A 33 1.500 14.839 -4.017 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -0.144 15.321 -2.463 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -0.147 13.569 -2.430 1.00 0.00 H new ATOM 487 N GLY A 34 1.148 10.950 -2.811 1.00 0.00 N ATOM 488 CA GLY A 34 0.148 9.934 -3.085 1.00 0.00 C ATOM 489 C GLY A 34 0.763 8.586 -3.403 1.00 0.00 C ATOM 490 O GLY A 34 0.096 7.555 -3.315 1.00 0.00 O ATOM 0 H GLY A 34 1.748 10.756 -2.010 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -0.511 9.835 -2.222 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -0.471 10.254 -3.923 1.00 0.00 H new ATOM 494 N ALA A 35 2.039 8.593 -3.775 1.00 0.00 N ATOM 495 CA ALA A 35 2.744 7.361 -4.108 1.00 0.00 C ATOM 496 C ALA A 35 2.399 6.248 -3.124 1.00 0.00 C ATOM 497 O ALA A 35 2.185 6.499 -1.937 1.00 0.00 O ATOM 498 CB ALA A 35 4.246 7.602 -4.129 1.00 0.00 C ATOM 0 H ALA A 35 2.605 9.438 -3.853 1.00 0.00 H new ATOM 0 HA ALA A 35 2.424 7.045 -5.101 1.00 0.00 H new ATOM 0 HB1 ALA A 35 4.760 6.674 -4.379 1.00 0.00 H new ATOM 0 HB2 ALA A 35 4.482 8.360 -4.876 1.00 0.00 H new ATOM 0 HB3 ALA A 35 4.573 7.945 -3.147 1.00 0.00 H new ATOM 504 N PHE A 36 2.345 5.018 -3.624 1.00 0.00 N ATOM 505 CA PHE A 36 2.024 3.867 -2.789 1.00 0.00 C ATOM 506 C PHE A 36 2.777 2.627 -3.260 1.00 0.00 C ATOM 507 O PHE A 36 3.372 2.620 -4.337 1.00 0.00 O ATOM 508 CB PHE A 36 0.517 3.601 -2.809 1.00 0.00 C ATOM 509 CG PHE A 36 0.070 2.773 -3.980 1.00 0.00 C ATOM 510 CD1 PHE A 36 0.016 3.320 -5.252 1.00 0.00 C ATOM 511 CD2 PHE A 36 -0.297 1.448 -3.809 1.00 0.00 C ATOM 512 CE1 PHE A 36 -0.395 2.562 -6.330 1.00 0.00 C ATOM 513 CE2 PHE A 36 -0.710 0.684 -4.883 1.00 0.00 C ATOM 514 CZ PHE A 36 -0.758 1.241 -6.147 1.00 0.00 C ATOM 0 H PHE A 36 2.519 4.793 -4.603 1.00 0.00 H new ATOM 0 HA PHE A 36 2.333 4.092 -1.768 1.00 0.00 H new ATOM 0 HB2 PHE A 36 0.233 3.094 -1.887 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -0.012 4.554 -2.825 1.00 0.00 H new ATOM 0 HD1 PHE A 36 0.299 4.352 -5.402 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -0.260 1.007 -2.824 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -0.433 3.001 -7.316 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -0.995 -0.347 -4.735 1.00 0.00 H new ATOM 0 HZ PHE A 36 -1.078 0.646 -6.989 1.00 0.00 H new ATOM 524 N MET A 37 2.746 1.578 -2.444 1.00 0.00 N ATOM 525 CA MET A 37 3.425 0.330 -2.777 1.00 0.00 C ATOM 526 C MET A 37 2.869 -0.828 -1.955 1.00 0.00 C ATOM 527 O MET A 37 2.027 -0.632 -1.078 1.00 0.00 O ATOM 528 CB MET A 37 4.930 0.464 -2.537 1.00 0.00 C ATOM 529 CG MET A 37 5.286 0.855 -1.111 1.00 0.00 C ATOM 530 SD MET A 37 6.893 0.218 -0.599 1.00 0.00 S ATOM 531 CE MET A 37 7.917 0.736 -1.973 1.00 0.00 C ATOM 0 H MET A 37 2.258 1.567 -1.548 1.00 0.00 H new ATOM 0 HA MET A 37 3.249 0.120 -3.832 1.00 0.00 H new ATOM 0 HB2 MET A 37 5.414 -0.483 -2.777 1.00 0.00 H new ATOM 0 HB3 MET A 37 5.334 1.210 -3.221 1.00 0.00 H new ATOM 0 HG2 MET A 37 5.286 1.942 -1.025 1.00 0.00 H new ATOM 0 HG3 MET A 37 4.518 0.482 -0.433 1.00 0.00 H new ATOM 0 HE1 MET A 37 8.937 0.383 -1.820 1.00 0.00 H new ATOM 0 HE2 MET A 37 7.523 0.316 -2.899 1.00 0.00 H new ATOM 0 HE3 MET A 37 7.915 1.824 -2.038 1.00 0.00 H new ATOM 541 N VAL A 38 3.344 -2.035 -2.245 1.00 0.00 N ATOM 542 CA VAL A 38 2.894 -3.225 -1.532 1.00 0.00 C ATOM 543 C VAL A 38 4.035 -4.218 -1.345 1.00 0.00 C ATOM 544 O VAL A 38 4.627 -4.691 -2.316 1.00 0.00 O ATOM 545 CB VAL A 38 1.739 -3.921 -2.275 1.00 0.00 C ATOM 546 CG1 VAL A 38 1.141 -5.027 -1.418 1.00 0.00 C ATOM 547 CG2 VAL A 38 0.675 -2.909 -2.674 1.00 0.00 C ATOM 0 H VAL A 38 4.040 -2.215 -2.968 1.00 0.00 H new ATOM 0 HA VAL A 38 2.541 -2.894 -0.555 1.00 0.00 H new ATOM 0 HB VAL A 38 2.136 -4.374 -3.184 1.00 0.00 H new ATOM 0 HG11 VAL A 38 0.326 -5.507 -1.960 1.00 0.00 H new ATOM 0 HG12 VAL A 38 1.909 -5.765 -1.189 1.00 0.00 H new ATOM 0 HG13 VAL A 38 0.758 -4.602 -0.490 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -0.134 -3.419 -3.198 1.00 0.00 H new ATOM 0 HG22 VAL A 38 0.280 -2.425 -1.781 1.00 0.00 H new ATOM 0 HG23 VAL A 38 1.115 -2.158 -3.329 1.00 0.00 H new ATOM 557 N ARG A 39 4.341 -4.530 -0.090 1.00 0.00 N ATOM 558 CA ARG A 39 5.413 -5.466 0.225 1.00 0.00 C ATOM 559 C ARG A 39 4.870 -6.685 0.964 1.00 0.00 C ATOM 560 O ARG A 39 3.686 -6.748 1.292 1.00 0.00 O ATOM 561 CB ARG A 39 6.487 -4.780 1.072 1.00 0.00 C ATOM 562 CG ARG A 39 6.047 -4.494 2.498 1.00 0.00 C ATOM 563 CD ARG A 39 7.123 -3.749 3.274 1.00 0.00 C ATOM 564 NE ARG A 39 6.575 -3.047 4.431 1.00 0.00 N ATOM 565 CZ ARG A 39 7.309 -2.649 5.464 1.00 0.00 C ATOM 566 NH1 ARG A 39 8.614 -2.884 5.485 1.00 0.00 N ATOM 567 NH2 ARG A 39 6.737 -2.016 6.481 1.00 0.00 N ATOM 0 H ARG A 39 3.861 -4.148 0.725 1.00 0.00 H new ATOM 0 HA ARG A 39 5.858 -5.799 -0.713 1.00 0.00 H new ATOM 0 HB2 ARG A 39 7.377 -5.409 1.095 1.00 0.00 H new ATOM 0 HB3 ARG A 39 6.771 -3.843 0.594 1.00 0.00 H new ATOM 0 HG2 ARG A 39 5.131 -3.904 2.486 1.00 0.00 H new ATOM 0 HG3 ARG A 39 5.815 -5.431 3.004 1.00 0.00 H new ATOM 0 HD2 ARG A 39 7.885 -4.454 3.605 1.00 0.00 H new ATOM 0 HD3 ARG A 39 7.615 -3.034 2.615 1.00 0.00 H new ATOM 0 HE ARG A 39 5.574 -2.852 4.447 1.00 0.00 H new ATOM 0 HH11 ARG A 39 9.057 -3.372 4.706 1.00 0.00 H new ATOM 0 HH12 ARG A 39 9.175 -2.577 6.280 1.00 0.00 H new ATOM 0 HH21 ARG A 39 5.733 -1.835 6.469 1.00 0.00 H new ATOM 0 HH22 ARG A 39 7.301 -1.711 7.274 1.00 0.00 H new ATOM 581 N ASN A 40 5.745 -7.652 1.223 1.00 0.00 N ATOM 582 CA ASN A 40 5.353 -8.870 1.923 1.00 0.00 C ATOM 583 C ASN A 40 6.192 -9.069 3.182 1.00 0.00 C ATOM 584 O ASN A 40 7.403 -8.849 3.173 1.00 0.00 O ATOM 585 CB ASN A 40 5.501 -10.083 1.001 1.00 0.00 C ATOM 586 CG ASN A 40 6.936 -10.308 0.568 1.00 0.00 C ATOM 587 OD1 ASN A 40 7.576 -11.278 0.979 1.00 0.00 O ATOM 588 ND2 ASN A 40 7.451 -9.411 -0.265 1.00 0.00 N ATOM 0 H ASN A 40 6.729 -7.616 0.959 1.00 0.00 H new ATOM 0 HA ASN A 40 4.308 -8.770 2.217 1.00 0.00 H new ATOM 0 HB2 ASN A 40 5.135 -10.973 1.514 1.00 0.00 H new ATOM 0 HB3 ASN A 40 4.876 -9.944 0.119 1.00 0.00 H new ATOM 0 HD21 ASN A 40 8.413 -9.510 -0.590 1.00 0.00 H new ATOM 0 HD22 ASN A 40 6.885 -8.623 -0.580 1.00 0.00 H new ATOM 595 N SER A 41 5.539 -9.486 4.261 1.00 0.00 N ATOM 596 CA SER A 41 6.224 -9.712 5.529 1.00 0.00 C ATOM 597 C SER A 41 7.511 -10.503 5.318 1.00 0.00 C ATOM 598 O SER A 41 7.671 -11.191 4.311 1.00 0.00 O ATOM 599 CB SER A 41 5.309 -10.457 6.502 1.00 0.00 C ATOM 600 OG SER A 41 5.604 -10.115 7.845 1.00 0.00 O ATOM 0 H SER A 41 4.537 -9.674 4.283 1.00 0.00 H new ATOM 0 HA SER A 41 6.480 -8.741 5.953 1.00 0.00 H new ATOM 0 HB2 SER A 41 4.268 -10.217 6.283 1.00 0.00 H new ATOM 0 HB3 SER A 41 5.425 -11.532 6.364 1.00 0.00 H new ATOM 0 HG SER A 41 5.004 -10.604 8.446 1.00 0.00 H new ATOM 657 N MET A 46 1.728 -12.847 6.124 1.00 0.00 N ATOM 658 CA MET A 46 1.009 -11.579 6.092 1.00 0.00 C ATOM 659 C MET A 46 1.634 -10.625 5.077 1.00 0.00 C ATOM 660 O MET A 46 2.745 -10.856 4.596 1.00 0.00 O ATOM 661 CB MET A 46 1.007 -10.935 7.480 1.00 0.00 C ATOM 662 CG MET A 46 0.078 -11.623 8.467 1.00 0.00 C ATOM 663 SD MET A 46 -1.661 -11.441 8.028 1.00 0.00 S ATOM 664 CE MET A 46 -2.387 -12.793 8.950 1.00 0.00 C ATOM 0 HA MET A 46 -0.019 -11.780 5.791 1.00 0.00 H new ATOM 0 HB2 MET A 46 2.021 -10.947 7.879 1.00 0.00 H new ATOM 0 HB3 MET A 46 0.714 -9.889 7.386 1.00 0.00 H new ATOM 0 HG2 MET A 46 0.327 -12.683 8.516 1.00 0.00 H new ATOM 0 HG3 MET A 46 0.242 -11.211 9.463 1.00 0.00 H new ATOM 0 HE1 MET A 46 -3.473 -12.708 8.926 1.00 0.00 H new ATOM 0 HE2 MET A 46 -2.087 -13.741 8.503 1.00 0.00 H new ATOM 0 HE3 MET A 46 -2.043 -12.755 9.984 1.00 0.00 H new ATOM 674 N TYR A 47 0.916 -9.556 4.756 1.00 0.00 N ATOM 675 CA TYR A 47 1.400 -8.570 3.798 1.00 0.00 C ATOM 676 C TYR A 47 1.416 -7.173 4.414 1.00 0.00 C ATOM 677 O TYR A 47 0.819 -6.937 5.464 1.00 0.00 O ATOM 678 CB TYR A 47 0.525 -8.575 2.543 1.00 0.00 C ATOM 679 CG TYR A 47 0.953 -9.594 1.512 1.00 0.00 C ATOM 680 CD1 TYR A 47 1.131 -10.928 1.855 1.00 0.00 C ATOM 681 CD2 TYR A 47 1.178 -9.222 0.191 1.00 0.00 C ATOM 682 CE1 TYR A 47 1.523 -11.861 0.916 1.00 0.00 C ATOM 683 CE2 TYR A 47 1.569 -10.148 -0.755 1.00 0.00 C ATOM 684 CZ TYR A 47 1.741 -11.468 -0.389 1.00 0.00 C ATOM 685 OH TYR A 47 2.130 -12.394 -1.328 1.00 0.00 O ATOM 0 H TYR A 47 -0.004 -9.350 5.145 1.00 0.00 H new ATOM 0 HA TYR A 47 2.420 -8.838 3.523 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -0.508 -8.773 2.831 1.00 0.00 H new ATOM 0 HB3 TYR A 47 0.546 -7.583 2.092 1.00 0.00 H new ATOM 0 HD1 TYR A 47 0.960 -11.241 2.874 1.00 0.00 H new ATOM 0 HD2 TYR A 47 1.044 -8.190 -0.100 1.00 0.00 H new ATOM 0 HE1 TYR A 47 1.658 -12.894 1.201 1.00 0.00 H new ATOM 0 HE2 TYR A 47 1.740 -9.841 -1.776 1.00 0.00 H new ATOM 0 HH TYR A 47 2.239 -11.953 -2.196 1.00 0.00 H new ATOM 695 N THR A 48 2.104 -6.249 3.749 1.00 0.00 N ATOM 696 CA THR A 48 2.200 -4.876 4.230 1.00 0.00 C ATOM 697 C THR A 48 2.050 -3.882 3.084 1.00 0.00 C ATOM 698 O THR A 48 2.783 -3.940 2.098 1.00 0.00 O ATOM 699 CB THR A 48 3.542 -4.623 4.942 1.00 0.00 C ATOM 700 OG1 THR A 48 3.895 -5.758 5.742 1.00 0.00 O ATOM 701 CG2 THR A 48 3.464 -3.383 5.819 1.00 0.00 C ATOM 0 H THR A 48 2.602 -6.427 2.877 1.00 0.00 H new ATOM 0 HA THR A 48 1.387 -4.732 4.942 1.00 0.00 H new ATOM 0 HB THR A 48 4.306 -4.464 4.182 1.00 0.00 H new ATOM 0 HG1 THR A 48 4.750 -5.589 6.190 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.423 -3.225 6.312 1.00 0.00 H new ATOM 0 HG22 THR A 48 3.225 -2.516 5.203 1.00 0.00 H new ATOM 0 HG23 THR A 48 2.688 -3.518 6.572 1.00 0.00 H new ATOM 709 N VAL A 49 1.094 -2.968 3.223 1.00 0.00 N ATOM 710 CA VAL A 49 0.848 -1.958 2.199 1.00 0.00 C ATOM 711 C VAL A 49 1.155 -0.560 2.722 1.00 0.00 C ATOM 712 O VAL A 49 0.362 0.026 3.459 1.00 0.00 O ATOM 713 CB VAL A 49 -0.610 -2.003 1.706 1.00 0.00 C ATOM 714 CG1 VAL A 49 -0.829 -0.984 0.598 1.00 0.00 C ATOM 715 CG2 VAL A 49 -0.971 -3.402 1.235 1.00 0.00 C ATOM 0 H VAL A 49 0.478 -2.906 4.034 1.00 0.00 H new ATOM 0 HA VAL A 49 1.512 -2.184 1.365 1.00 0.00 H new ATOM 0 HB VAL A 49 -1.265 -1.746 2.538 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -1.865 -1.029 0.261 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -0.614 0.016 0.975 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -0.166 -1.207 -0.238 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -2.005 -3.414 0.890 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.312 -3.692 0.416 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -0.855 -4.105 2.060 1.00 0.00 H new ATOM 725 N SER A 50 2.312 -0.030 2.337 1.00 0.00 N ATOM 726 CA SER A 50 2.726 1.300 2.770 1.00 0.00 C ATOM 727 C SER A 50 2.666 2.291 1.611 1.00 0.00 C ATOM 728 O SER A 50 2.882 1.926 0.455 1.00 0.00 O ATOM 729 CB SER A 50 4.142 1.253 3.345 1.00 0.00 C ATOM 730 OG SER A 50 4.198 0.434 4.499 1.00 0.00 O ATOM 0 H SER A 50 2.979 -0.501 1.726 1.00 0.00 H new ATOM 0 HA SER A 50 2.038 1.635 3.546 1.00 0.00 H new ATOM 0 HB2 SER A 50 4.831 0.872 2.591 1.00 0.00 H new ATOM 0 HB3 SER A 50 4.470 2.262 3.595 1.00 0.00 H new ATOM 0 HG SER A 50 5.114 0.420 4.846 1.00 0.00 H new ATOM 736 N LEU A 51 2.372 3.547 1.931 1.00 0.00 N ATOM 737 CA LEU A 51 2.283 4.592 0.918 1.00 0.00 C ATOM 738 C LEU A 51 2.691 5.944 1.495 1.00 0.00 C ATOM 739 O LEU A 51 2.611 6.166 2.704 1.00 0.00 O ATOM 740 CB LEU A 51 0.861 4.671 0.361 1.00 0.00 C ATOM 741 CG LEU A 51 -0.174 5.354 1.256 1.00 0.00 C ATOM 742 CD1 LEU A 51 -0.150 6.860 1.049 1.00 0.00 C ATOM 743 CD2 LEU A 51 -1.565 4.798 0.984 1.00 0.00 C ATOM 0 H LEU A 51 2.192 3.866 2.883 1.00 0.00 H new ATOM 0 HA LEU A 51 2.969 4.340 0.109 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.894 5.200 -0.591 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.518 3.658 0.151 1.00 0.00 H new ATOM 0 HG LEU A 51 0.081 5.148 2.295 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.893 7.328 1.695 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.839 7.245 1.296 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.379 7.088 0.008 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.288 5.296 1.630 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.829 4.973 -0.059 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.575 3.727 1.186 1.00 0.00 H new ATOM 755 N PHE A 52 3.127 6.847 0.622 1.00 0.00 N ATOM 756 CA PHE A 52 3.547 8.178 1.044 1.00 0.00 C ATOM 757 C PHE A 52 2.368 9.146 1.044 1.00 0.00 C ATOM 758 O PHE A 52 1.672 9.293 0.039 1.00 0.00 O ATOM 759 CB PHE A 52 4.653 8.703 0.125 1.00 0.00 C ATOM 760 CG PHE A 52 5.109 10.092 0.470 1.00 0.00 C ATOM 761 CD1 PHE A 52 6.086 10.296 1.431 1.00 0.00 C ATOM 762 CD2 PHE A 52 4.561 11.193 -0.168 1.00 0.00 C ATOM 763 CE1 PHE A 52 6.508 11.573 1.749 1.00 0.00 C ATOM 764 CE2 PHE A 52 4.980 12.472 0.145 1.00 0.00 C ATOM 765 CZ PHE A 52 5.953 12.663 1.106 1.00 0.00 C ATOM 0 H PHE A 52 3.198 6.681 -0.382 1.00 0.00 H new ATOM 0 HA PHE A 52 3.934 8.104 2.060 1.00 0.00 H new ATOM 0 HB2 PHE A 52 5.506 8.026 0.173 1.00 0.00 H new ATOM 0 HB3 PHE A 52 4.295 8.692 -0.904 1.00 0.00 H new ATOM 0 HD1 PHE A 52 6.523 9.448 1.937 1.00 0.00 H new ATOM 0 HD2 PHE A 52 3.798 11.050 -0.919 1.00 0.00 H new ATOM 0 HE1 PHE A 52 7.271 11.719 2.499 1.00 0.00 H new ATOM 0 HE2 PHE A 52 4.547 13.322 -0.362 1.00 0.00 H new ATOM 0 HZ PHE A 52 6.280 13.662 1.355 1.00 0.00 H new ATOM 775 N SER A 53 2.149 9.804 2.178 1.00 0.00 N ATOM 776 CA SER A 53 1.051 10.755 2.310 1.00 0.00 C ATOM 777 C SER A 53 1.461 11.940 3.178 1.00 0.00 C ATOM 778 O SER A 53 2.179 11.784 4.166 1.00 0.00 O ATOM 779 CB SER A 53 -0.176 10.067 2.912 1.00 0.00 C ATOM 780 OG SER A 53 -1.215 11.001 3.156 1.00 0.00 O ATOM 0 H SER A 53 2.717 9.696 3.018 1.00 0.00 H new ATOM 0 HA SER A 53 0.800 11.125 1.316 1.00 0.00 H new ATOM 0 HB2 SER A 53 -0.532 9.291 2.234 1.00 0.00 H new ATOM 0 HB3 SER A 53 0.100 9.573 3.844 1.00 0.00 H new ATOM 0 HG SER A 53 -1.989 10.537 3.539 1.00 0.00 H new ATOM 786 N LYS A 54 1.000 13.128 2.802 1.00 0.00 N ATOM 787 CA LYS A 54 1.316 14.342 3.544 1.00 0.00 C ATOM 788 C LYS A 54 0.161 15.336 3.481 1.00 0.00 C ATOM 789 O LYS A 54 -0.663 15.287 2.568 1.00 0.00 O ATOM 790 CB LYS A 54 2.588 14.989 2.988 1.00 0.00 C ATOM 791 CG LYS A 54 2.854 16.379 3.538 1.00 0.00 C ATOM 792 CD LYS A 54 4.210 16.902 3.098 1.00 0.00 C ATOM 793 CE LYS A 54 4.139 17.552 1.725 1.00 0.00 C ATOM 794 NZ LYS A 54 4.321 16.558 0.630 1.00 0.00 N ATOM 0 H LYS A 54 0.405 13.276 1.986 1.00 0.00 H new ATOM 0 HA LYS A 54 1.480 14.067 4.586 1.00 0.00 H new ATOM 0 HB2 LYS A 54 3.440 14.348 3.215 1.00 0.00 H new ATOM 0 HB3 LYS A 54 2.512 15.046 1.902 1.00 0.00 H new ATOM 0 HG2 LYS A 54 2.073 17.060 3.200 1.00 0.00 H new ATOM 0 HG3 LYS A 54 2.808 16.356 4.627 1.00 0.00 H new ATOM 0 HD2 LYS A 54 4.575 17.626 3.826 1.00 0.00 H new ATOM 0 HD3 LYS A 54 4.928 16.082 3.077 1.00 0.00 H new ATOM 0 HE2 LYS A 54 3.176 18.049 1.608 1.00 0.00 H new ATOM 0 HE3 LYS A 54 4.907 18.322 1.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 4.992 16.932 -0.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 4.692 15.670 1.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 3.406 16.377 0.170 1.00 0.00 H new ATOM 904 N GLY A 61 6.447 15.227 4.993 1.00 0.00 N ATOM 905 CA GLY A 61 5.570 14.086 4.808 1.00 0.00 C ATOM 906 C GLY A 61 6.066 12.850 5.533 1.00 0.00 C ATOM 907 O GLY A 61 7.272 12.631 5.648 1.00 0.00 O ATOM 0 HA2 GLY A 61 4.572 14.337 5.166 1.00 0.00 H new ATOM 0 HA3 GLY A 61 5.482 13.868 3.744 1.00 0.00 H new ATOM 911 N THR A 62 5.134 12.040 6.024 1.00 0.00 N ATOM 912 CA THR A 62 5.482 10.822 6.744 1.00 0.00 C ATOM 913 C THR A 62 4.887 9.593 6.066 1.00 0.00 C ATOM 914 O THR A 62 3.726 9.600 5.655 1.00 0.00 O ATOM 915 CB THR A 62 4.997 10.874 8.205 1.00 0.00 C ATOM 916 OG1 THR A 62 5.521 12.037 8.854 1.00 0.00 O ATOM 917 CG2 THR A 62 5.428 9.627 8.963 1.00 0.00 C ATOM 0 H THR A 62 4.131 12.206 5.936 1.00 0.00 H new ATOM 0 HA THR A 62 6.569 10.749 6.733 1.00 0.00 H new ATOM 0 HB THR A 62 3.908 10.920 8.202 1.00 0.00 H new ATOM 0 HG1 THR A 62 5.207 12.063 9.782 1.00 0.00 H new ATOM 0 HG21 THR A 62 5.074 9.686 9.992 1.00 0.00 H new ATOM 0 HG22 THR A 62 5.003 8.745 8.484 1.00 0.00 H new ATOM 0 HG23 THR A 62 6.516 9.555 8.957 1.00 0.00 H new ATOM 925 N VAL A 63 5.688 8.538 5.953 1.00 0.00 N ATOM 926 CA VAL A 63 5.239 7.301 5.326 1.00 0.00 C ATOM 927 C VAL A 63 4.344 6.501 6.267 1.00 0.00 C ATOM 928 O VAL A 63 4.690 6.274 7.426 1.00 0.00 O ATOM 929 CB VAL A 63 6.430 6.423 4.899 1.00 0.00 C ATOM 930 CG1 VAL A 63 5.941 5.125 4.275 1.00 0.00 C ATOM 931 CG2 VAL A 63 7.332 7.181 3.936 1.00 0.00 C ATOM 0 H VAL A 63 6.651 8.516 6.288 1.00 0.00 H new ATOM 0 HA VAL A 63 4.670 7.584 4.440 1.00 0.00 H new ATOM 0 HB VAL A 63 7.012 6.174 5.786 1.00 0.00 H new ATOM 0 HG11 VAL A 63 6.797 4.518 3.980 1.00 0.00 H new ATOM 0 HG12 VAL A 63 5.340 4.576 5.000 1.00 0.00 H new ATOM 0 HG13 VAL A 63 5.335 5.349 3.397 1.00 0.00 H new ATOM 0 HG21 VAL A 63 8.168 6.546 3.645 1.00 0.00 H new ATOM 0 HG22 VAL A 63 6.763 7.462 3.049 1.00 0.00 H new ATOM 0 HG23 VAL A 63 7.711 8.079 4.423 1.00 0.00 H new ATOM 941 N LYS A 64 3.192 6.077 5.760 1.00 0.00 N ATOM 942 CA LYS A 64 2.246 5.301 6.553 1.00 0.00 C ATOM 943 C LYS A 64 2.392 3.809 6.268 1.00 0.00 C ATOM 944 O LYS A 64 2.770 3.412 5.165 1.00 0.00 O ATOM 945 CB LYS A 64 0.812 5.749 6.259 1.00 0.00 C ATOM 946 CG LYS A 64 0.367 6.944 7.085 1.00 0.00 C ATOM 947 CD LYS A 64 0.809 8.254 6.453 1.00 0.00 C ATOM 948 CE LYS A 64 0.847 9.380 7.474 1.00 0.00 C ATOM 949 NZ LYS A 64 0.839 10.719 6.824 1.00 0.00 N ATOM 0 H LYS A 64 2.890 6.258 4.803 1.00 0.00 H new ATOM 0 HA LYS A 64 2.465 5.476 7.606 1.00 0.00 H new ATOM 0 HB2 LYS A 64 0.727 5.997 5.201 1.00 0.00 H new ATOM 0 HB3 LYS A 64 0.134 4.916 6.446 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -0.718 6.935 7.185 1.00 0.00 H new ATOM 0 HG3 LYS A 64 0.780 6.866 8.091 1.00 0.00 H new ATOM 0 HD2 LYS A 64 1.797 8.130 6.009 1.00 0.00 H new ATOM 0 HD3 LYS A 64 0.127 8.517 5.644 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -0.011 9.295 8.140 1.00 0.00 H new ATOM 0 HE3 LYS A 64 1.740 9.281 8.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 1.246 11.422 7.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 1.404 10.685 5.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -0.139 10.987 6.593 1.00 0.00 H new ATOM 963 N HIS A 65 2.089 2.988 7.268 1.00 0.00 N ATOM 964 CA HIS A 65 2.184 1.540 7.123 1.00 0.00 C ATOM 965 C HIS A 65 0.860 0.870 7.479 1.00 0.00 C ATOM 966 O HIS A 65 0.272 1.149 8.522 1.00 0.00 O ATOM 967 CB HIS A 65 3.301 0.990 8.011 1.00 0.00 C ATOM 968 CG HIS A 65 3.309 1.570 9.392 1.00 0.00 C ATOM 969 ND1 HIS A 65 2.974 0.843 10.516 1.00 0.00 N ATOM 970 CD2 HIS A 65 3.615 2.813 9.828 1.00 0.00 C ATOM 971 CE1 HIS A 65 3.073 1.615 11.582 1.00 0.00 C ATOM 972 NE2 HIS A 65 3.460 2.816 11.193 1.00 0.00 N ATOM 0 H HIS A 65 1.776 3.300 8.187 1.00 0.00 H new ATOM 0 HA HIS A 65 2.415 1.318 6.081 1.00 0.00 H new ATOM 0 HB2 HIS A 65 3.198 -0.093 8.081 1.00 0.00 H new ATOM 0 HB3 HIS A 65 4.262 1.189 7.537 1.00 0.00 H new ATOM 0 HD2 HIS A 65 3.924 3.648 9.217 1.00 0.00 H new ATOM 0 HE1 HIS A 65 2.872 1.315 12.600 1.00 0.00 H new ATOM 0 HE2 HIS A 65 3.618 3.616 11.806 1.00 0.00 H new ATOM 981 N TYR A 66 0.397 -0.015 6.603 1.00 0.00 N ATOM 982 CA TYR A 66 -0.859 -0.722 6.821 1.00 0.00 C ATOM 983 C TYR A 66 -0.665 -2.230 6.688 1.00 0.00 C ATOM 984 O TYR A 66 -0.389 -2.738 5.602 1.00 0.00 O ATOM 985 CB TYR A 66 -1.919 -0.244 5.828 1.00 0.00 C ATOM 986 CG TYR A 66 -2.138 1.253 5.853 1.00 0.00 C ATOM 987 CD1 TYR A 66 -2.851 1.854 6.883 1.00 0.00 C ATOM 988 CD2 TYR A 66 -1.635 2.065 4.844 1.00 0.00 C ATOM 989 CE1 TYR A 66 -3.055 3.220 6.909 1.00 0.00 C ATOM 990 CE2 TYR A 66 -1.833 3.432 4.862 1.00 0.00 C ATOM 991 CZ TYR A 66 -2.544 4.004 5.897 1.00 0.00 C ATOM 992 OH TYR A 66 -2.745 5.365 5.919 1.00 0.00 O ATOM 0 H TYR A 66 0.873 -0.260 5.735 1.00 0.00 H new ATOM 0 HA TYR A 66 -1.197 -0.504 7.834 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -1.624 -0.543 4.822 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -2.862 -0.745 6.046 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -3.253 1.242 7.677 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -1.080 1.620 4.032 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -3.611 3.671 7.717 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -1.434 4.049 4.071 1.00 0.00 H new ATOM 0 HH TYR A 66 -2.320 5.771 5.135 1.00 0.00 H new ATOM 1002 N HIS A 67 -0.814 -2.940 7.803 1.00 0.00 N ATOM 1003 CA HIS A 67 -0.658 -4.390 7.811 1.00 0.00 C ATOM 1004 C HIS A 67 -1.952 -5.079 7.387 1.00 0.00 C ATOM 1005 O HIS A 67 -3.010 -4.846 7.972 1.00 0.00 O ATOM 1006 CB HIS A 67 -0.242 -4.871 9.202 1.00 0.00 C ATOM 1007 CG HIS A 67 0.209 -6.298 9.232 1.00 0.00 C ATOM 1008 ND1 HIS A 67 -0.336 -7.242 10.077 1.00 0.00 N ATOM 1009 CD2 HIS A 67 1.158 -6.943 8.513 1.00 0.00 C ATOM 1010 CE1 HIS A 67 0.260 -8.404 9.878 1.00 0.00 C ATOM 1011 NE2 HIS A 67 1.170 -8.250 8.934 1.00 0.00 N ATOM 0 H HIS A 67 -1.042 -2.535 8.711 1.00 0.00 H new ATOM 0 HA HIS A 67 0.122 -4.651 7.096 1.00 0.00 H new ATOM 0 HB2 HIS A 67 0.564 -4.236 9.571 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -1.082 -4.750 9.886 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -1.083 -7.070 10.750 1.00 0.00 H new ATOM 0 HD2 HIS A 67 1.788 -6.510 7.750 1.00 0.00 H new ATOM 0 HE1 HIS A 67 0.040 -9.324 10.399 1.00 0.00 H new ATOM 1020 N VAL A 68 -1.859 -5.926 6.368 1.00 0.00 N ATOM 1021 CA VAL A 68 -3.021 -6.649 5.866 1.00 0.00 C ATOM 1022 C VAL A 68 -3.571 -7.605 6.919 1.00 0.00 C ATOM 1023 O VAL A 68 -3.041 -8.699 7.117 1.00 0.00 O ATOM 1024 CB VAL A 68 -2.681 -7.446 4.593 1.00 0.00 C ATOM 1025 CG1 VAL A 68 -3.902 -8.202 4.093 1.00 0.00 C ATOM 1026 CG2 VAL A 68 -2.138 -6.520 3.514 1.00 0.00 C ATOM 0 H VAL A 68 -0.990 -6.129 5.873 1.00 0.00 H new ATOM 0 HA VAL A 68 -3.778 -5.902 5.626 1.00 0.00 H new ATOM 0 HB VAL A 68 -1.908 -8.175 4.838 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -3.642 -8.759 3.193 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -4.241 -8.895 4.863 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -4.699 -7.495 3.864 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -1.903 -7.100 2.621 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -2.887 -5.767 3.270 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -1.235 -6.030 3.876 1.00 0.00 H new ATOM 1036 N HIS A 69 -4.637 -7.185 7.592 1.00 0.00 N ATOM 1037 CA HIS A 69 -5.260 -8.004 8.626 1.00 0.00 C ATOM 1038 C HIS A 69 -6.176 -9.056 8.006 1.00 0.00 C ATOM 1039 O HIS A 69 -6.556 -8.954 6.839 1.00 0.00 O ATOM 1040 CB HIS A 69 -6.053 -7.126 9.594 1.00 0.00 C ATOM 1041 CG HIS A 69 -5.222 -6.082 10.275 1.00 0.00 C ATOM 1042 ND1 HIS A 69 -3.995 -6.352 10.844 1.00 0.00 N ATOM 1043 CD2 HIS A 69 -5.446 -4.764 10.474 1.00 0.00 C ATOM 1044 CE1 HIS A 69 -3.502 -5.243 11.365 1.00 0.00 C ATOM 1045 NE2 HIS A 69 -4.363 -4.265 11.154 1.00 0.00 N ATOM 0 H HIS A 69 -5.088 -6.283 7.440 1.00 0.00 H new ATOM 0 HA HIS A 69 -4.470 -8.514 9.176 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -6.861 -6.637 9.049 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -6.516 -7.760 10.350 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -6.315 -4.207 10.157 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -2.555 -5.152 11.877 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -4.243 -3.296 11.448 1.00 0.00 H new ATOM 1054 N THR A 70 -6.528 -10.066 8.795 1.00 0.00 N ATOM 1055 CA THR A 70 -7.398 -11.137 8.324 1.00 0.00 C ATOM 1056 C THR A 70 -8.531 -11.399 9.310 1.00 0.00 C ATOM 1057 O THR A 70 -8.341 -11.322 10.523 1.00 0.00 O ATOM 1058 CB THR A 70 -6.612 -12.443 8.104 1.00 0.00 C ATOM 1059 OG1 THR A 70 -5.429 -12.180 7.340 1.00 0.00 O ATOM 1060 CG2 THR A 70 -7.467 -13.475 7.384 1.00 0.00 C ATOM 0 H THR A 70 -6.224 -10.165 9.764 1.00 0.00 H new ATOM 0 HA THR A 70 -7.817 -10.809 7.373 1.00 0.00 H new ATOM 0 HB THR A 70 -6.334 -12.842 9.079 1.00 0.00 H new ATOM 0 HG1 THR A 70 -4.934 -13.015 7.206 1.00 0.00 H new ATOM 0 HG21 THR A 70 -6.890 -14.389 7.240 1.00 0.00 H new ATOM 0 HG22 THR A 70 -8.352 -13.695 7.981 1.00 0.00 H new ATOM 0 HG23 THR A 70 -7.772 -13.082 6.414 1.00 0.00 H new ATOM 1068 N ASN A 71 -9.710 -11.709 8.781 1.00 0.00 N ATOM 1069 CA ASN A 71 -10.874 -11.982 9.616 1.00 0.00 C ATOM 1070 C ASN A 71 -11.091 -13.485 9.770 1.00 0.00 C ATOM 1071 O ASN A 71 -10.315 -14.291 9.258 1.00 0.00 O ATOM 1072 CB ASN A 71 -12.122 -11.335 9.014 1.00 0.00 C ATOM 1073 CG ASN A 71 -12.822 -12.241 8.019 1.00 0.00 C ATOM 1074 OD1 ASN A 71 -12.223 -13.176 7.486 1.00 0.00 O ATOM 1075 ND2 ASN A 71 -14.096 -11.967 7.764 1.00 0.00 N ATOM 0 H ASN A 71 -9.885 -11.777 7.778 1.00 0.00 H new ATOM 0 HA ASN A 71 -10.692 -11.555 10.602 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -12.815 -11.075 9.814 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -11.843 -10.405 8.520 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -14.619 -12.542 7.103 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -14.552 -11.182 8.229 1.00 0.00 H new ATOM 1082 N ALA A 72 -12.153 -13.853 10.479 1.00 0.00 N ATOM 1083 CA ALA A 72 -12.474 -15.258 10.699 1.00 0.00 C ATOM 1084 C ALA A 72 -12.611 -16.004 9.375 1.00 0.00 C ATOM 1085 O ALA A 72 -12.187 -17.153 9.254 1.00 0.00 O ATOM 1086 CB ALA A 72 -13.754 -15.385 11.513 1.00 0.00 C ATOM 0 H ALA A 72 -12.805 -13.198 10.911 1.00 0.00 H new ATOM 0 HA ALA A 72 -11.654 -15.710 11.257 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -13.982 -16.439 11.670 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -13.622 -14.895 12.478 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -14.576 -14.912 10.975 1.00 0.00 H new ATOM 1092 N GLU A 73 -13.205 -15.343 8.388 1.00 0.00 N ATOM 1093 CA GLU A 73 -13.397 -15.946 7.074 1.00 0.00 C ATOM 1094 C GLU A 73 -12.171 -15.731 6.192 1.00 0.00 C ATOM 1095 O GLU A 73 -12.291 -15.518 4.986 1.00 0.00 O ATOM 1096 CB GLU A 73 -14.636 -15.358 6.396 1.00 0.00 C ATOM 1097 CG GLU A 73 -15.916 -15.554 7.191 1.00 0.00 C ATOM 1098 CD GLU A 73 -16.945 -14.474 6.916 1.00 0.00 C ATOM 1099 OE1 GLU A 73 -16.540 -13.337 6.597 1.00 0.00 O ATOM 1100 OE2 GLU A 73 -18.154 -14.766 7.021 1.00 0.00 O ATOM 0 H GLU A 73 -13.561 -14.391 8.472 1.00 0.00 H new ATOM 0 HA GLU A 73 -13.540 -17.018 7.211 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -14.479 -14.292 6.233 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -14.754 -15.816 5.414 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -16.343 -16.527 6.950 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -15.680 -15.564 8.255 1.00 0.00 H new ATOM 1107 N ASN A 74 -10.993 -15.787 6.803 1.00 0.00 N ATOM 1108 CA ASN A 74 -9.744 -15.597 6.074 1.00 0.00 C ATOM 1109 C ASN A 74 -9.888 -14.501 5.022 1.00 0.00 C ATOM 1110 O ASN A 74 -9.501 -14.679 3.867 1.00 0.00 O ATOM 1111 CB ASN A 74 -9.314 -16.905 5.408 1.00 0.00 C ATOM 1112 CG ASN A 74 -8.770 -17.911 6.404 1.00 0.00 C ATOM 1113 OD1 ASN A 74 -9.464 -18.849 6.797 1.00 0.00 O ATOM 1114 ND2 ASN A 74 -7.523 -17.719 6.819 1.00 0.00 N ATOM 0 H ASN A 74 -10.876 -15.962 7.801 1.00 0.00 H new ATOM 0 HA ASN A 74 -8.979 -15.292 6.788 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -10.166 -17.340 4.885 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -8.553 -16.694 4.657 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -7.104 -18.363 7.490 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -6.984 -16.928 6.467 1.00 0.00 H new ATOM 1121 N LYS A 75 -10.448 -13.367 5.430 1.00 0.00 N ATOM 1122 CA LYS A 75 -10.644 -12.241 4.526 1.00 0.00 C ATOM 1123 C LYS A 75 -9.596 -11.159 4.771 1.00 0.00 C ATOM 1124 O LYS A 75 -9.461 -10.652 5.885 1.00 0.00 O ATOM 1125 CB LYS A 75 -12.047 -11.658 4.700 1.00 0.00 C ATOM 1126 CG LYS A 75 -13.120 -12.419 3.942 1.00 0.00 C ATOM 1127 CD LYS A 75 -13.160 -12.015 2.478 1.00 0.00 C ATOM 1128 CE LYS A 75 -13.675 -13.147 1.602 1.00 0.00 C ATOM 1129 NZ LYS A 75 -14.151 -12.654 0.280 1.00 0.00 N ATOM 0 H LYS A 75 -10.774 -13.204 6.383 1.00 0.00 H new ATOM 0 HA LYS A 75 -10.534 -12.604 3.504 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -12.299 -11.650 5.760 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -12.044 -10.621 4.366 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -12.932 -13.490 4.020 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -14.092 -12.232 4.399 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -13.800 -11.141 2.358 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -12.161 -11.726 2.152 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -12.882 -13.880 1.452 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -14.490 -13.660 2.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -14.494 -13.456 -0.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -14.925 -11.974 0.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -13.367 -12.187 -0.219 1.00 0.00 H new ATOM 1143 N LEU A 76 -8.860 -10.808 3.724 1.00 0.00 N ATOM 1144 CA LEU A 76 -7.825 -9.783 3.825 1.00 0.00 C ATOM 1145 C LEU A 76 -8.424 -8.387 3.676 1.00 0.00 C ATOM 1146 O LEU A 76 -9.397 -8.193 2.946 1.00 0.00 O ATOM 1147 CB LEU A 76 -6.753 -10.006 2.757 1.00 0.00 C ATOM 1148 CG LEU A 76 -6.298 -11.451 2.554 1.00 0.00 C ATOM 1149 CD1 LEU A 76 -5.815 -11.665 1.128 1.00 0.00 C ATOM 1150 CD2 LEU A 76 -5.204 -11.811 3.548 1.00 0.00 C ATOM 0 H LEU A 76 -8.959 -11.217 2.795 1.00 0.00 H new ATOM 0 HA LEU A 76 -7.368 -9.859 4.812 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -7.131 -9.628 1.807 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -5.881 -9.405 3.015 1.00 0.00 H new ATOM 0 HG LEU A 76 -7.151 -12.107 2.729 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -5.495 -12.700 1.004 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -6.626 -11.450 0.433 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -4.976 -10.999 0.924 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -4.893 -12.843 3.388 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -4.350 -11.148 3.405 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -5.584 -11.700 4.564 1.00 0.00 H new ATOM 1162 N TYR A 77 -7.836 -7.421 4.370 1.00 0.00 N ATOM 1163 CA TYR A 77 -8.312 -6.043 4.316 1.00 0.00 C ATOM 1164 C TYR A 77 -7.329 -5.100 5.002 1.00 0.00 C ATOM 1165 O TYR A 77 -6.588 -5.502 5.900 1.00 0.00 O ATOM 1166 CB TYR A 77 -9.688 -5.931 4.974 1.00 0.00 C ATOM 1167 CG TYR A 77 -9.717 -6.419 6.405 1.00 0.00 C ATOM 1168 CD1 TYR A 77 -9.989 -7.749 6.700 1.00 0.00 C ATOM 1169 CD2 TYR A 77 -9.472 -5.551 7.462 1.00 0.00 C ATOM 1170 CE1 TYR A 77 -10.017 -8.200 8.005 1.00 0.00 C ATOM 1171 CE2 TYR A 77 -9.497 -5.993 8.770 1.00 0.00 C ATOM 1172 CZ TYR A 77 -9.770 -7.319 9.037 1.00 0.00 C ATOM 1173 OH TYR A 77 -9.797 -7.763 10.339 1.00 0.00 O ATOM 0 H TYR A 77 -7.029 -7.565 4.977 1.00 0.00 H new ATOM 0 HA TYR A 77 -8.393 -5.754 3.268 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -10.010 -4.890 4.947 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -10.409 -6.503 4.389 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -10.182 -8.442 5.895 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -9.258 -4.512 7.257 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -10.231 -9.237 8.216 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -9.304 -5.305 9.580 1.00 0.00 H new ATOM 0 HH TYR A 77 -9.601 -7.017 10.943 1.00 0.00 H new ATOM 1183 N LEU A 78 -7.328 -3.842 4.574 1.00 0.00 N ATOM 1184 CA LEU A 78 -6.437 -2.839 5.146 1.00 0.00 C ATOM 1185 C LEU A 78 -7.177 -1.964 6.153 1.00 0.00 C ATOM 1186 O LEU A 78 -6.603 -1.525 7.148 1.00 0.00 O ATOM 1187 CB LEU A 78 -5.840 -1.969 4.039 1.00 0.00 C ATOM 1188 CG LEU A 78 -4.681 -2.584 3.252 1.00 0.00 C ATOM 1189 CD1 LEU A 78 -4.283 -1.681 2.095 1.00 0.00 C ATOM 1190 CD2 LEU A 78 -3.492 -2.839 4.166 1.00 0.00 C ATOM 0 H LEU A 78 -7.935 -3.493 3.832 1.00 0.00 H new ATOM 0 HA LEU A 78 -5.632 -3.358 5.666 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -6.634 -1.714 3.337 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -5.496 -1.036 4.484 1.00 0.00 H new ATOM 0 HG LEU A 78 -5.011 -3.539 2.843 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -3.457 -2.135 1.547 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -5.134 -1.550 1.426 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -3.972 -0.710 2.481 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -2.677 -3.277 3.589 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.162 -1.897 4.604 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -3.784 -3.526 4.960 1.00 0.00 H new ATOM 1202 N ALA A 79 -8.456 -1.718 5.888 1.00 0.00 N ATOM 1203 CA ALA A 79 -9.276 -0.900 6.773 1.00 0.00 C ATOM 1204 C ALA A 79 -10.335 -1.743 7.475 1.00 0.00 C ATOM 1205 O ALA A 79 -10.886 -2.675 6.891 1.00 0.00 O ATOM 1206 CB ALA A 79 -9.930 0.230 5.992 1.00 0.00 C ATOM 0 H ALA A 79 -8.947 -2.074 5.067 1.00 0.00 H new ATOM 0 HA ALA A 79 -8.627 -0.471 7.536 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -10.539 0.833 6.665 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -9.159 0.856 5.543 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -10.561 -0.188 5.208 1.00 0.00 H new ATOM 1212 N GLU A 80 -10.613 -1.409 8.731 1.00 0.00 N ATOM 1213 CA GLU A 80 -11.606 -2.137 9.513 1.00 0.00 C ATOM 1214 C GLU A 80 -12.990 -2.020 8.880 1.00 0.00 C ATOM 1215 O GLU A 80 -13.218 -1.177 8.013 1.00 0.00 O ATOM 1216 CB GLU A 80 -11.643 -1.611 10.949 1.00 0.00 C ATOM 1217 CG GLU A 80 -10.352 -1.845 11.716 1.00 0.00 C ATOM 1218 CD GLU A 80 -10.529 -1.694 13.215 1.00 0.00 C ATOM 1219 OE1 GLU A 80 -10.509 -0.545 13.703 1.00 0.00 O ATOM 1220 OE2 GLU A 80 -10.689 -2.726 13.900 1.00 0.00 O ATOM 0 H GLU A 80 -10.165 -0.640 9.229 1.00 0.00 H new ATOM 0 HA GLU A 80 -11.320 -3.189 9.527 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -11.856 -0.542 10.930 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -12.464 -2.090 11.482 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -9.980 -2.846 11.497 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -9.595 -1.141 11.370 1.00 0.00 H new ATOM 1227 N ASN A 81 -13.909 -2.871 9.321 1.00 0.00 N ATOM 1228 CA ASN A 81 -15.271 -2.865 8.798 1.00 0.00 C ATOM 1229 C ASN A 81 -15.270 -2.999 7.279 1.00 0.00 C ATOM 1230 O ASN A 81 -16.189 -2.534 6.603 1.00 0.00 O ATOM 1231 CB ASN A 81 -15.990 -1.577 9.207 1.00 0.00 C ATOM 1232 CG ASN A 81 -16.677 -1.701 10.554 1.00 0.00 C ATOM 1233 OD1 ASN A 81 -17.379 -2.677 10.817 1.00 0.00 O ATOM 1234 ND2 ASN A 81 -16.476 -0.710 11.414 1.00 0.00 N ATOM 0 H ASN A 81 -13.736 -3.574 10.039 1.00 0.00 H new ATOM 0 HA ASN A 81 -15.800 -3.719 9.220 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -15.271 -0.758 9.243 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -16.729 -1.320 8.448 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -16.912 -0.739 12.336 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -15.886 0.080 11.153 1.00 0.00 H new ATOM 1241 N TYR A 82 -14.234 -3.637 6.747 1.00 0.00 N ATOM 1242 CA TYR A 82 -14.112 -3.831 5.307 1.00 0.00 C ATOM 1243 C TYR A 82 -13.501 -5.192 4.990 1.00 0.00 C ATOM 1244 O TYR A 82 -12.731 -5.738 5.781 1.00 0.00 O ATOM 1245 CB TYR A 82 -13.258 -2.721 4.692 1.00 0.00 C ATOM 1246 CG TYR A 82 -14.040 -1.470 4.359 1.00 0.00 C ATOM 1247 CD1 TYR A 82 -14.928 -1.446 3.289 1.00 0.00 C ATOM 1248 CD2 TYR A 82 -13.890 -0.312 5.112 1.00 0.00 C ATOM 1249 CE1 TYR A 82 -15.643 -0.305 2.981 1.00 0.00 C ATOM 1250 CE2 TYR A 82 -14.603 0.832 4.812 1.00 0.00 C ATOM 1251 CZ TYR A 82 -15.478 0.831 3.745 1.00 0.00 C ATOM 1252 OH TYR A 82 -16.189 1.969 3.442 1.00 0.00 O ATOM 0 H TYR A 82 -13.466 -4.029 7.292 1.00 0.00 H new ATOM 0 HA TYR A 82 -15.112 -3.793 4.875 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -12.456 -2.465 5.385 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -12.787 -3.097 3.784 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -15.061 -2.334 2.689 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -13.204 -0.306 5.946 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -16.328 -0.303 2.146 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -14.476 1.723 5.409 1.00 0.00 H new ATOM 0 HH TYR A 82 -15.958 2.678 4.077 1.00 0.00 H new ATOM 1262 N CYS A 83 -13.850 -5.734 3.829 1.00 0.00 N ATOM 1263 CA CYS A 83 -13.337 -7.032 3.406 1.00 0.00 C ATOM 1264 C CYS A 83 -13.085 -7.054 1.902 1.00 0.00 C ATOM 1265 O CYS A 83 -13.872 -6.517 1.123 1.00 0.00 O ATOM 1266 CB CYS A 83 -14.319 -8.141 3.787 1.00 0.00 C ATOM 1267 SG CYS A 83 -15.991 -7.900 3.143 1.00 0.00 S ATOM 0 H CYS A 83 -14.486 -5.295 3.164 1.00 0.00 H new ATOM 0 HA CYS A 83 -12.390 -7.204 3.917 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -13.934 -9.093 3.422 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -14.366 -8.212 4.874 1.00 0.00 H new ATOM 0 HG CYS A 83 -15.935 -7.230 2.030 1.00 0.00 H new ATOM 1273 N PHE A 84 -11.981 -7.677 1.501 1.00 0.00 N ATOM 1274 CA PHE A 84 -11.624 -7.766 0.090 1.00 0.00 C ATOM 1275 C PHE A 84 -11.451 -9.221 -0.337 1.00 0.00 C ATOM 1276 O PHE A 84 -11.658 -10.139 0.456 1.00 0.00 O ATOM 1277 CB PHE A 84 -10.336 -6.986 -0.182 1.00 0.00 C ATOM 1278 CG PHE A 84 -10.426 -5.532 0.181 1.00 0.00 C ATOM 1279 CD1 PHE A 84 -10.391 -5.132 1.507 1.00 0.00 C ATOM 1280 CD2 PHE A 84 -10.547 -4.565 -0.803 1.00 0.00 C ATOM 1281 CE1 PHE A 84 -10.476 -3.794 1.844 1.00 0.00 C ATOM 1282 CE2 PHE A 84 -10.631 -3.225 -0.472 1.00 0.00 C ATOM 1283 CZ PHE A 84 -10.594 -2.839 0.853 1.00 0.00 C ATOM 0 H PHE A 84 -11.319 -8.127 2.133 1.00 0.00 H new ATOM 0 HA PHE A 84 -12.435 -7.329 -0.493 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -9.520 -7.442 0.378 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -10.085 -7.073 -1.239 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -10.296 -5.874 2.286 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -10.576 -4.861 -1.841 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -10.450 -3.496 2.882 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -10.725 -2.481 -1.249 1.00 0.00 H new ATOM 0 HZ PHE A 84 -10.657 -1.793 1.114 1.00 0.00 H new ATOM 1293 N ASP A 85 -11.071 -9.421 -1.593 1.00 0.00 N ATOM 1294 CA ASP A 85 -10.870 -10.763 -2.127 1.00 0.00 C ATOM 1295 C ASP A 85 -9.401 -11.166 -2.045 1.00 0.00 C ATOM 1296 O ASP A 85 -9.075 -12.286 -1.650 1.00 0.00 O ATOM 1297 CB ASP A 85 -11.351 -10.837 -3.577 1.00 0.00 C ATOM 1298 CG ASP A 85 -11.207 -12.227 -4.165 1.00 0.00 C ATOM 1299 OD1 ASP A 85 -10.126 -12.829 -4.004 1.00 0.00 O ATOM 1300 OD2 ASP A 85 -12.176 -12.711 -4.786 1.00 0.00 O ATOM 0 H ASP A 85 -10.896 -8.671 -2.261 1.00 0.00 H new ATOM 0 HA ASP A 85 -11.454 -11.458 -1.523 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -12.396 -10.532 -3.626 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -10.783 -10.129 -4.181 1.00 0.00 H new ATOM 1305 N SER A 86 -8.518 -10.246 -2.419 1.00 0.00 N ATOM 1306 CA SER A 86 -7.084 -10.507 -2.392 1.00 0.00 C ATOM 1307 C SER A 86 -6.297 -9.205 -2.276 1.00 0.00 C ATOM 1308 O SER A 86 -6.877 -8.123 -2.187 1.00 0.00 O ATOM 1309 CB SER A 86 -6.658 -11.262 -3.653 1.00 0.00 C ATOM 1310 OG SER A 86 -5.430 -11.940 -3.451 1.00 0.00 O ATOM 0 H SER A 86 -8.771 -9.313 -2.744 1.00 0.00 H new ATOM 0 HA SER A 86 -6.868 -11.122 -1.518 1.00 0.00 H new ATOM 0 HB2 SER A 86 -7.431 -11.978 -3.930 1.00 0.00 H new ATOM 0 HB3 SER A 86 -6.559 -10.563 -4.483 1.00 0.00 H new ATOM 0 HG SER A 86 -5.180 -12.416 -4.270 1.00 0.00 H new ATOM 1316 N ILE A 87 -4.973 -9.320 -2.276 1.00 0.00 N ATOM 1317 CA ILE A 87 -4.106 -8.152 -2.172 1.00 0.00 C ATOM 1318 C ILE A 87 -4.251 -7.248 -3.391 1.00 0.00 C ATOM 1319 O ILE A 87 -4.591 -6.070 -3.284 1.00 0.00 O ATOM 1320 CB ILE A 87 -2.628 -8.560 -2.022 1.00 0.00 C ATOM 1321 CG1 ILE A 87 -2.267 -8.715 -0.544 1.00 0.00 C ATOM 1322 CG2 ILE A 87 -1.726 -7.534 -2.689 1.00 0.00 C ATOM 1323 CD1 ILE A 87 -2.644 -10.063 0.033 1.00 0.00 C ATOM 0 H ILE A 87 -4.478 -10.209 -2.347 1.00 0.00 H new ATOM 0 HA ILE A 87 -4.417 -7.607 -1.281 1.00 0.00 H new ATOM 0 HB ILE A 87 -2.479 -9.521 -2.515 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -1.194 -8.564 -0.423 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -2.766 -7.932 0.027 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -0.685 -7.836 -2.575 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -1.971 -7.469 -3.749 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -1.875 -6.560 -2.222 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -2.358 -10.102 1.084 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -3.721 -10.209 -0.056 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -2.125 -10.851 -0.513 1.00 0.00 H new ATOM 1335 N PRO A 88 -3.989 -7.811 -4.580 1.00 0.00 N ATOM 1336 CA PRO A 88 -4.087 -7.075 -5.843 1.00 0.00 C ATOM 1337 C PRO A 88 -5.528 -6.740 -6.210 1.00 0.00 C ATOM 1338 O PRO A 88 -5.782 -5.884 -7.057 1.00 0.00 O ATOM 1339 CB PRO A 88 -3.487 -8.044 -6.866 1.00 0.00 C ATOM 1340 CG PRO A 88 -3.687 -9.395 -6.271 1.00 0.00 C ATOM 1341 CD PRO A 88 -3.579 -9.212 -4.782 1.00 0.00 C ATOM 0 HA PRO A 88 -3.576 -6.114 -5.794 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -3.986 -7.959 -7.832 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -2.430 -7.838 -7.034 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -4.661 -9.802 -6.545 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -2.935 -10.096 -6.634 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -4.229 -9.902 -4.244 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -2.563 -9.389 -4.428 1.00 0.00 H new ATOM 1349 N LYS A 89 -6.471 -7.418 -5.564 1.00 0.00 N ATOM 1350 CA LYS A 89 -7.889 -7.192 -5.820 1.00 0.00 C ATOM 1351 C LYS A 89 -8.410 -6.021 -4.995 1.00 0.00 C ATOM 1352 O LYS A 89 -9.498 -5.503 -5.250 1.00 0.00 O ATOM 1353 CB LYS A 89 -8.693 -8.454 -5.501 1.00 0.00 C ATOM 1354 CG LYS A 89 -8.378 -9.625 -6.415 1.00 0.00 C ATOM 1355 CD LYS A 89 -9.075 -9.489 -7.758 1.00 0.00 C ATOM 1356 CE LYS A 89 -8.328 -10.236 -8.852 1.00 0.00 C ATOM 1357 NZ LYS A 89 -8.817 -9.867 -10.209 1.00 0.00 N ATOM 0 H LYS A 89 -6.279 -8.129 -4.859 1.00 0.00 H new ATOM 0 HA LYS A 89 -8.009 -6.951 -6.876 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -8.498 -8.747 -4.469 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -9.756 -8.225 -5.572 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -7.301 -9.688 -6.568 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -8.687 -10.554 -5.936 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -10.092 -9.874 -7.682 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -9.153 -8.435 -8.024 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -7.263 -10.018 -8.778 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -8.445 -11.310 -8.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -8.283 -10.397 -10.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -9.828 -10.098 -10.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -8.682 -8.847 -10.361 1.00 0.00 H new ATOM 1371 N LEU A 90 -7.627 -5.606 -4.004 1.00 0.00 N ATOM 1372 CA LEU A 90 -8.010 -4.494 -3.142 1.00 0.00 C ATOM 1373 C LEU A 90 -7.477 -3.173 -3.687 1.00 0.00 C ATOM 1374 O LEU A 90 -8.188 -2.168 -3.710 1.00 0.00 O ATOM 1375 CB LEU A 90 -7.486 -4.720 -1.722 1.00 0.00 C ATOM 1376 CG LEU A 90 -7.341 -3.471 -0.853 1.00 0.00 C ATOM 1377 CD1 LEU A 90 -7.545 -3.815 0.615 1.00 0.00 C ATOM 1378 CD2 LEU A 90 -5.978 -2.828 -1.067 1.00 0.00 C ATOM 0 H LEU A 90 -6.724 -6.023 -3.778 1.00 0.00 H new ATOM 0 HA LEU A 90 -9.099 -4.444 -3.118 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -8.156 -5.415 -1.215 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -6.513 -5.207 -1.789 1.00 0.00 H new ATOM 0 HG LEU A 90 -8.109 -2.756 -1.148 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -7.438 -2.913 1.218 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -8.543 -4.230 0.756 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -6.800 -4.549 0.924 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -5.892 -1.940 -0.440 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -5.195 -3.538 -0.800 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -5.870 -2.545 -2.114 1.00 0.00 H new ATOM 1390 N ILE A 91 -6.224 -3.184 -4.127 1.00 0.00 N ATOM 1391 CA ILE A 91 -5.597 -1.988 -4.676 1.00 0.00 C ATOM 1392 C ILE A 91 -6.339 -1.498 -5.916 1.00 0.00 C ATOM 1393 O ILE A 91 -6.510 -0.295 -6.116 1.00 0.00 O ATOM 1394 CB ILE A 91 -4.123 -2.240 -5.040 1.00 0.00 C ATOM 1395 CG1 ILE A 91 -3.276 -2.371 -3.772 1.00 0.00 C ATOM 1396 CG2 ILE A 91 -3.595 -1.119 -5.923 1.00 0.00 C ATOM 1397 CD1 ILE A 91 -3.296 -3.760 -3.173 1.00 0.00 C ATOM 0 H ILE A 91 -5.623 -4.008 -4.114 1.00 0.00 H new ATOM 0 HA ILE A 91 -5.645 -1.223 -3.901 1.00 0.00 H new ATOM 0 HB ILE A 91 -4.057 -3.175 -5.596 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -2.246 -2.098 -4.003 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -3.635 -1.659 -3.029 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -2.551 -1.312 -6.171 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -4.183 -1.070 -6.839 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -3.672 -0.170 -5.392 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -2.675 -3.779 -2.278 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -4.319 -4.028 -2.910 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -2.908 -4.475 -3.899 1.00 0.00 H new ATOM 1409 N HIS A 92 -6.779 -2.440 -6.745 1.00 0.00 N ATOM 1410 CA HIS A 92 -7.505 -2.105 -7.965 1.00 0.00 C ATOM 1411 C HIS A 92 -8.686 -1.187 -7.660 1.00 0.00 C ATOM 1412 O HIS A 92 -9.104 -0.396 -8.506 1.00 0.00 O ATOM 1413 CB HIS A 92 -7.997 -3.377 -8.656 1.00 0.00 C ATOM 1414 CG HIS A 92 -8.160 -3.228 -10.138 1.00 0.00 C ATOM 1415 ND1 HIS A 92 -7.530 -4.048 -11.050 1.00 0.00 N ATOM 1416 CD2 HIS A 92 -8.889 -2.350 -10.864 1.00 0.00 C ATOM 1417 CE1 HIS A 92 -7.862 -3.679 -12.274 1.00 0.00 C ATOM 1418 NE2 HIS A 92 -8.687 -2.651 -12.189 1.00 0.00 N ATOM 0 H HIS A 92 -6.646 -3.440 -6.594 1.00 0.00 H new ATOM 0 HA HIS A 92 -6.822 -1.579 -8.632 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -7.294 -4.185 -8.455 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -8.952 -3.671 -8.221 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -9.514 -1.560 -10.475 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -7.518 -4.139 -13.188 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -9.106 -2.160 -12.979 1.00 0.00 H new ATOM 1427 N TYR A 93 -9.218 -1.299 -6.448 1.00 0.00 N ATOM 1428 CA TYR A 93 -10.352 -0.482 -6.033 1.00 0.00 C ATOM 1429 C TYR A 93 -9.884 0.866 -5.493 1.00 0.00 C ATOM 1430 O TYR A 93 -10.445 1.910 -5.825 1.00 0.00 O ATOM 1431 CB TYR A 93 -11.173 -1.214 -4.970 1.00 0.00 C ATOM 1432 CG TYR A 93 -12.093 -2.271 -5.537 1.00 0.00 C ATOM 1433 CD1 TYR A 93 -12.884 -2.007 -6.648 1.00 0.00 C ATOM 1434 CD2 TYR A 93 -12.170 -3.533 -4.962 1.00 0.00 C ATOM 1435 CE1 TYR A 93 -13.728 -2.969 -7.168 1.00 0.00 C ATOM 1436 CE2 TYR A 93 -13.009 -4.503 -5.477 1.00 0.00 C ATOM 1437 CZ TYR A 93 -13.786 -4.215 -6.580 1.00 0.00 C ATOM 1438 OH TYR A 93 -14.624 -5.178 -7.097 1.00 0.00 O ATOM 0 H TYR A 93 -8.882 -1.947 -5.736 1.00 0.00 H new ATOM 0 HA TYR A 93 -10.979 -0.304 -6.907 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -10.494 -1.680 -4.256 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -11.767 -0.486 -4.417 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -12.838 -1.033 -7.113 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -11.564 -3.760 -4.098 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -14.339 -2.747 -8.030 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -13.056 -5.480 -5.019 1.00 0.00 H new ATOM 0 HH TYR A 93 -14.545 -5.999 -6.568 1.00 0.00 H new ATOM 1448 N HIS A 94 -8.851 0.833 -4.656 1.00 0.00 N ATOM 1449 CA HIS A 94 -8.305 2.053 -4.068 1.00 0.00 C ATOM 1450 C HIS A 94 -7.775 2.987 -5.151 1.00 0.00 C ATOM 1451 O HIS A 94 -7.916 4.205 -5.054 1.00 0.00 O ATOM 1452 CB HIS A 94 -7.189 1.711 -3.081 1.00 0.00 C ATOM 1453 CG HIS A 94 -7.688 1.308 -1.728 1.00 0.00 C ATOM 1454 ND1 HIS A 94 -8.146 2.215 -0.794 1.00 0.00 N ATOM 1455 CD2 HIS A 94 -7.803 0.089 -1.152 1.00 0.00 C ATOM 1456 CE1 HIS A 94 -8.518 1.570 0.297 1.00 0.00 C ATOM 1457 NE2 HIS A 94 -8.321 0.278 0.105 1.00 0.00 N ATOM 0 H HIS A 94 -8.376 -0.023 -4.370 1.00 0.00 H new ATOM 0 HA HIS A 94 -9.108 2.563 -3.535 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -6.587 0.901 -3.493 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -6.532 2.574 -2.975 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -7.537 -0.858 -1.599 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -8.916 2.022 1.194 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -8.521 -0.459 0.781 1.00 0.00 H new ATOM 1466 N GLN A 95 -7.164 2.407 -6.180 1.00 0.00 N ATOM 1467 CA GLN A 95 -6.612 3.189 -7.279 1.00 0.00 C ATOM 1468 C GLN A 95 -7.616 4.228 -7.767 1.00 0.00 C ATOM 1469 O GLN A 95 -7.256 5.374 -8.040 1.00 0.00 O ATOM 1470 CB GLN A 95 -6.208 2.271 -8.433 1.00 0.00 C ATOM 1471 CG GLN A 95 -4.786 1.745 -8.325 1.00 0.00 C ATOM 1472 CD GLN A 95 -4.459 0.721 -9.395 1.00 0.00 C ATOM 1473 OE1 GLN A 95 -4.330 -0.470 -9.113 1.00 0.00 O ATOM 1474 NE2 GLN A 95 -4.323 1.182 -10.632 1.00 0.00 N ATOM 0 H GLN A 95 -7.039 1.399 -6.275 1.00 0.00 H new ATOM 0 HA GLN A 95 -5.728 3.710 -6.912 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -6.896 1.427 -8.472 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -6.315 2.814 -9.372 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -4.088 2.579 -8.400 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -4.642 1.296 -7.342 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -4.439 2.178 -10.821 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -4.103 0.541 -11.394 1.00 0.00 H new ATOM 1483 N HIS A 96 -8.876 3.821 -7.874 1.00 0.00 N ATOM 1484 CA HIS A 96 -9.934 4.717 -8.328 1.00 0.00 C ATOM 1485 C HIS A 96 -10.743 5.246 -7.147 1.00 0.00 C ATOM 1486 O HIS A 96 -10.713 6.440 -6.849 1.00 0.00 O ATOM 1487 CB HIS A 96 -10.856 3.994 -9.310 1.00 0.00 C ATOM 1488 CG HIS A 96 -10.345 3.984 -10.718 1.00 0.00 C ATOM 1489 ND1 HIS A 96 -11.160 3.805 -11.814 1.00 0.00 N ATOM 1490 CD2 HIS A 96 -9.090 4.134 -11.204 1.00 0.00 C ATOM 1491 CE1 HIS A 96 -10.430 3.844 -12.915 1.00 0.00 C ATOM 1492 NE2 HIS A 96 -9.171 4.044 -12.572 1.00 0.00 N ATOM 0 H HIS A 96 -9.190 2.876 -7.653 1.00 0.00 H new ATOM 0 HA HIS A 96 -9.468 5.563 -8.834 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -10.994 2.966 -8.975 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -11.837 4.470 -9.292 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -8.193 4.294 -10.624 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -10.800 3.731 -13.923 1.00 0.00 H new ATOM 0 HE2 HIS A 96 -8.386 4.119 -13.218 1.00 0.00 H new ATOM 1501 N ASN A 97 -11.463 4.351 -6.480 1.00 0.00 N ATOM 1502 CA ASN A 97 -12.281 4.729 -5.334 1.00 0.00 C ATOM 1503 C ASN A 97 -11.537 4.469 -4.027 1.00 0.00 C ATOM 1504 O ASN A 97 -11.176 3.333 -3.721 1.00 0.00 O ATOM 1505 CB ASN A 97 -13.601 3.955 -5.345 1.00 0.00 C ATOM 1506 CG ASN A 97 -14.379 4.159 -6.631 1.00 0.00 C ATOM 1507 OD1 ASN A 97 -15.361 4.902 -6.664 1.00 0.00 O ATOM 1508 ND2 ASN A 97 -13.944 3.496 -7.696 1.00 0.00 N ATOM 0 H ASN A 97 -11.497 3.359 -6.713 1.00 0.00 H new ATOM 0 HA ASN A 97 -12.493 5.796 -5.406 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -13.397 2.893 -5.211 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -14.212 4.271 -4.500 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -14.428 3.591 -8.589 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -13.126 2.892 -7.621 1.00 0.00 H new ATOM 1515 N SER A 98 -11.313 5.531 -3.260 1.00 0.00 N ATOM 1516 CA SER A 98 -10.610 5.419 -1.987 1.00 0.00 C ATOM 1517 C SER A 98 -11.548 4.928 -0.889 1.00 0.00 C ATOM 1518 O SER A 98 -12.746 5.214 -0.907 1.00 0.00 O ATOM 1519 CB SER A 98 -10.008 6.769 -1.592 1.00 0.00 C ATOM 1520 OG SER A 98 -10.911 7.828 -1.859 1.00 0.00 O ATOM 0 H SER A 98 -11.608 6.478 -3.497 1.00 0.00 H new ATOM 0 HA SER A 98 -9.807 4.692 -2.107 1.00 0.00 H new ATOM 0 HB2 SER A 98 -9.755 6.762 -0.532 1.00 0.00 H new ATOM 0 HB3 SER A 98 -9.080 6.931 -2.140 1.00 0.00 H new ATOM 0 HG SER A 98 -10.503 8.680 -1.596 1.00 0.00 H new ATOM 1526 N ALA A 99 -10.995 4.186 0.065 1.00 0.00 N ATOM 1527 CA ALA A 99 -11.781 3.656 1.172 1.00 0.00 C ATOM 1528 C ALA A 99 -10.979 3.663 2.469 1.00 0.00 C ATOM 1529 O ALA A 99 -9.753 3.773 2.450 1.00 0.00 O ATOM 1530 CB ALA A 99 -12.259 2.246 0.853 1.00 0.00 C ATOM 0 H ALA A 99 -10.006 3.938 0.093 1.00 0.00 H new ATOM 0 HA ALA A 99 -12.649 4.301 1.309 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -12.845 1.863 1.689 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -12.877 2.266 -0.045 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -11.398 1.599 0.686 1.00 0.00 H new ATOM 1536 N GLY A 100 -11.678 3.547 3.593 1.00 0.00 N ATOM 1537 CA GLY A 100 -11.013 3.543 4.884 1.00 0.00 C ATOM 1538 C GLY A 100 -10.016 4.675 5.025 1.00 0.00 C ATOM 1539 O GLY A 100 -8.906 4.476 5.518 1.00 0.00 O ATOM 0 H GLY A 100 -12.693 3.456 3.634 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -11.760 3.620 5.674 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -10.500 2.591 5.022 1.00 0.00 H new ATOM 1543 N MET A 101 -10.410 5.867 4.590 1.00 0.00 N ATOM 1544 CA MET A 101 -9.541 7.035 4.669 1.00 0.00 C ATOM 1545 C MET A 101 -8.196 6.760 4.004 1.00 0.00 C ATOM 1546 O MET A 101 -7.165 7.281 4.429 1.00 0.00 O ATOM 1547 CB MET A 101 -9.328 7.440 6.130 1.00 0.00 C ATOM 1548 CG MET A 101 -10.591 7.367 6.972 1.00 0.00 C ATOM 1549 SD MET A 101 -10.275 7.646 8.724 1.00 0.00 S ATOM 1550 CE MET A 101 -11.936 7.551 9.388 1.00 0.00 C ATOM 0 H MET A 101 -11.326 6.050 4.179 1.00 0.00 H new ATOM 0 HA MET A 101 -10.026 7.854 4.139 1.00 0.00 H new ATOM 0 HB2 MET A 101 -8.570 6.793 6.571 1.00 0.00 H new ATOM 0 HB3 MET A 101 -8.938 8.457 6.163 1.00 0.00 H new ATOM 0 HG2 MET A 101 -11.305 8.108 6.613 1.00 0.00 H new ATOM 0 HG3 MET A 101 -11.054 6.389 6.842 1.00 0.00 H new ATOM 0 HE1 MET A 101 -11.906 7.704 10.467 1.00 0.00 H new ATOM 0 HE2 MET A 101 -12.556 8.321 8.929 1.00 0.00 H new ATOM 0 HE3 MET A 101 -12.358 6.570 9.173 1.00 0.00 H new ATOM 1560 N ILE A 102 -8.215 5.939 2.959 1.00 0.00 N ATOM 1561 CA ILE A 102 -6.998 5.595 2.235 1.00 0.00 C ATOM 1562 C ILE A 102 -6.841 6.454 0.985 1.00 0.00 C ATOM 1563 O ILE A 102 -7.454 6.183 -0.049 1.00 0.00 O ATOM 1564 CB ILE A 102 -6.984 4.110 1.830 1.00 0.00 C ATOM 1565 CG1 ILE A 102 -7.043 3.219 3.072 1.00 0.00 C ATOM 1566 CG2 ILE A 102 -5.744 3.798 1.006 1.00 0.00 C ATOM 1567 CD1 ILE A 102 -5.840 3.364 3.977 1.00 0.00 C ATOM 0 H ILE A 102 -9.061 5.500 2.595 1.00 0.00 H new ATOM 0 HA ILE A 102 -6.164 5.786 2.911 1.00 0.00 H new ATOM 0 HB ILE A 102 -7.863 3.907 1.219 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -7.944 3.457 3.638 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -7.129 2.178 2.759 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -5.748 2.744 0.727 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -5.742 4.412 0.105 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -4.852 4.014 1.594 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -5.950 2.703 4.837 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -4.937 3.098 3.428 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -5.765 4.396 4.320 1.00 0.00 H new ATOM 1579 N THR A 103 -6.016 7.491 1.085 1.00 0.00 N ATOM 1580 CA THR A 103 -5.777 8.389 -0.037 1.00 0.00 C ATOM 1581 C THR A 103 -5.775 7.630 -1.359 1.00 0.00 C ATOM 1582 O THR A 103 -5.182 6.556 -1.467 1.00 0.00 O ATOM 1583 CB THR A 103 -4.438 9.135 0.114 1.00 0.00 C ATOM 1584 OG1 THR A 103 -4.194 9.946 -1.040 1.00 0.00 O ATOM 1585 CG2 THR A 103 -3.291 8.154 0.303 1.00 0.00 C ATOM 0 H THR A 103 -5.502 7.730 1.933 1.00 0.00 H new ATOM 0 HA THR A 103 -6.591 9.114 -0.038 1.00 0.00 H new ATOM 0 HB THR A 103 -4.500 9.772 0.997 1.00 0.00 H new ATOM 0 HG1 THR A 103 -3.342 10.418 -0.934 1.00 0.00 H new ATOM 0 HG21 THR A 103 -2.356 8.704 0.407 1.00 0.00 H new ATOM 0 HG22 THR A 103 -3.465 7.560 1.200 1.00 0.00 H new ATOM 0 HG23 THR A 103 -3.230 7.495 -0.563 1.00 0.00 H new ATOM 1593 N ARG A 104 -6.440 8.194 -2.361 1.00 0.00 N ATOM 1594 CA ARG A 104 -6.515 7.569 -3.676 1.00 0.00 C ATOM 1595 C ARG A 104 -5.120 7.312 -4.237 1.00 0.00 C ATOM 1596 O ARG A 104 -4.465 8.224 -4.745 1.00 0.00 O ATOM 1597 CB ARG A 104 -7.309 8.452 -4.640 1.00 0.00 C ATOM 1598 CG ARG A 104 -7.670 7.759 -5.945 1.00 0.00 C ATOM 1599 CD ARG A 104 -7.897 8.764 -7.064 1.00 0.00 C ATOM 1600 NE ARG A 104 -8.273 8.112 -8.315 1.00 0.00 N ATOM 1601 CZ ARG A 104 -8.657 8.772 -9.402 1.00 0.00 C ATOM 1602 NH1 ARG A 104 -8.715 10.097 -9.390 1.00 0.00 N ATOM 1603 NH2 ARG A 104 -8.983 8.109 -10.504 1.00 0.00 N ATOM 0 H ARG A 104 -6.935 9.083 -2.288 1.00 0.00 H new ATOM 0 HA ARG A 104 -7.025 6.612 -3.566 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -8.224 8.781 -4.148 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -6.728 9.347 -4.862 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -6.872 7.073 -6.227 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -8.570 7.160 -5.804 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -8.679 9.464 -6.770 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -6.989 9.347 -7.217 1.00 0.00 H new ATOM 0 HE ARG A 104 -8.239 7.093 -8.357 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -8.465 10.611 -8.545 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -9.010 10.602 -10.226 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -8.939 7.090 -10.518 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -9.278 8.618 -11.337 1.00 0.00 H new ATOM 1617 N LEU A 105 -4.669 6.066 -4.141 1.00 0.00 N ATOM 1618 CA LEU A 105 -3.350 5.689 -4.637 1.00 0.00 C ATOM 1619 C LEU A 105 -2.996 6.476 -5.895 1.00 0.00 C ATOM 1620 O LEU A 105 -3.453 6.150 -6.991 1.00 0.00 O ATOM 1621 CB LEU A 105 -3.304 4.188 -4.930 1.00 0.00 C ATOM 1622 CG LEU A 105 -3.776 3.270 -3.804 1.00 0.00 C ATOM 1623 CD1 LEU A 105 -3.318 1.841 -4.051 1.00 0.00 C ATOM 1624 CD2 LEU A 105 -3.267 3.769 -2.459 1.00 0.00 C ATOM 0 H LEU A 105 -5.197 5.300 -3.724 1.00 0.00 H new ATOM 0 HA LEU A 105 -2.617 5.925 -3.865 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -3.914 3.991 -5.812 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -2.279 3.919 -5.185 1.00 0.00 H new ATOM 0 HG LEU A 105 -4.866 3.283 -3.786 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -3.664 1.202 -3.238 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -3.732 1.484 -4.994 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -2.229 1.811 -4.098 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -3.613 3.103 -1.669 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -2.177 3.787 -2.467 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -3.646 4.775 -2.277 1.00 0.00 H new ATOM 1636 N ARG A 106 -2.179 7.510 -5.730 1.00 0.00 N ATOM 1637 CA ARG A 106 -1.764 8.343 -6.853 1.00 0.00 C ATOM 1638 C ARG A 106 -1.007 7.519 -7.890 1.00 0.00 C ATOM 1639 O ARG A 106 -1.538 7.206 -8.957 1.00 0.00 O ATOM 1640 CB ARG A 106 -0.887 9.496 -6.363 1.00 0.00 C ATOM 1641 CG ARG A 106 -0.400 10.409 -7.477 1.00 0.00 C ATOM 1642 CD ARG A 106 -1.534 11.250 -8.043 1.00 0.00 C ATOM 1643 NE ARG A 106 -1.079 12.137 -9.109 1.00 0.00 N ATOM 1644 CZ ARG A 106 -1.840 13.076 -9.659 1.00 0.00 C ATOM 1645 NH1 ARG A 106 -3.088 13.250 -9.245 1.00 0.00 N ATOM 1646 NH2 ARG A 106 -1.353 13.845 -10.625 1.00 0.00 N ATOM 0 H ARG A 106 -1.791 7.792 -4.830 1.00 0.00 H new ATOM 0 HA ARG A 106 -2.660 8.751 -7.322 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -1.450 10.087 -5.640 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -0.024 9.087 -5.837 1.00 0.00 H new ATOM 0 HG2 ARG A 106 0.385 11.063 -7.096 1.00 0.00 H new ATOM 0 HG3 ARG A 106 0.043 9.810 -8.273 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -2.315 10.594 -8.426 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -1.979 11.843 -7.244 1.00 0.00 H new ATOM 0 HE ARG A 106 -0.124 12.030 -9.450 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -3.466 12.662 -8.502 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -3.670 13.972 -9.669 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -0.393 13.715 -10.946 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -1.938 14.566 -11.047 1.00 0.00 H new ATOM 1660 N HIS A 107 0.235 7.170 -7.570 1.00 0.00 N ATOM 1661 CA HIS A 107 1.065 6.382 -8.474 1.00 0.00 C ATOM 1662 C HIS A 107 1.783 5.268 -7.720 1.00 0.00 C ATOM 1663 O HIS A 107 2.144 5.408 -6.551 1.00 0.00 O ATOM 1664 CB HIS A 107 2.085 7.279 -9.176 1.00 0.00 C ATOM 1665 CG HIS A 107 1.562 7.917 -10.427 1.00 0.00 C ATOM 1666 ND1 HIS A 107 1.278 7.206 -11.573 1.00 0.00 N ATOM 1667 CD2 HIS A 107 1.270 9.209 -10.705 1.00 0.00 C ATOM 1668 CE1 HIS A 107 0.836 8.031 -12.503 1.00 0.00 C ATOM 1669 NE2 HIS A 107 0.821 9.254 -12.002 1.00 0.00 N ATOM 0 H HIS A 107 0.689 7.420 -6.691 1.00 0.00 H new ATOM 0 HA HIS A 107 0.415 5.929 -9.223 1.00 0.00 H new ATOM 0 HB2 HIS A 107 2.405 8.060 -8.486 1.00 0.00 H new ATOM 0 HB3 HIS A 107 2.968 6.689 -9.421 1.00 0.00 H new ATOM 0 HD2 HIS A 107 1.371 10.048 -10.032 1.00 0.00 H new ATOM 0 HE1 HIS A 107 0.537 7.754 -13.503 1.00 0.00 H new ATOM 0 HE2 HIS A 107 0.524 10.094 -12.498 1.00 0.00 H new ATOM 1678 N PRO A 108 1.997 4.133 -8.402 1.00 0.00 N ATOM 1679 CA PRO A 108 2.674 2.973 -7.815 1.00 0.00 C ATOM 1680 C PRO A 108 4.159 3.225 -7.580 1.00 0.00 C ATOM 1681 O PRO A 108 4.789 4.000 -8.300 1.00 0.00 O ATOM 1682 CB PRO A 108 2.478 1.878 -8.868 1.00 0.00 C ATOM 1683 CG PRO A 108 2.299 2.615 -10.151 1.00 0.00 C ATOM 1684 CD PRO A 108 1.594 3.895 -9.798 1.00 0.00 C ATOM 0 HA PRO A 108 2.271 2.719 -6.835 1.00 0.00 H new ATOM 0 HB2 PRO A 108 3.339 1.211 -8.911 1.00 0.00 H new ATOM 0 HB3 PRO A 108 1.608 1.261 -8.641 1.00 0.00 H new ATOM 0 HG2 PRO A 108 3.261 2.816 -10.623 1.00 0.00 H new ATOM 0 HG3 PRO A 108 1.713 2.029 -10.859 1.00 0.00 H new ATOM 0 HD2 PRO A 108 1.899 4.714 -10.449 1.00 0.00 H new ATOM 0 HD3 PRO A 108 0.513 3.797 -9.893 1.00 0.00 H new ATOM 1692 N VAL A 109 4.714 2.566 -6.567 1.00 0.00 N ATOM 1693 CA VAL A 109 6.126 2.719 -6.238 1.00 0.00 C ATOM 1694 C VAL A 109 6.834 1.369 -6.213 1.00 0.00 C ATOM 1695 O VAL A 109 6.419 0.452 -5.504 1.00 0.00 O ATOM 1696 CB VAL A 109 6.312 3.408 -4.873 1.00 0.00 C ATOM 1697 CG1 VAL A 109 7.734 3.217 -4.367 1.00 0.00 C ATOM 1698 CG2 VAL A 109 5.967 4.886 -4.970 1.00 0.00 C ATOM 0 H VAL A 109 4.207 1.921 -5.960 1.00 0.00 H new ATOM 0 HA VAL A 109 6.566 3.343 -7.016 1.00 0.00 H new ATOM 0 HB VAL A 109 5.632 2.946 -4.158 1.00 0.00 H new ATOM 0 HG11 VAL A 109 7.846 3.711 -3.402 1.00 0.00 H new ATOM 0 HG12 VAL A 109 7.941 2.153 -4.256 1.00 0.00 H new ATOM 0 HG13 VAL A 109 8.435 3.651 -5.080 1.00 0.00 H new ATOM 0 HG21 VAL A 109 6.104 5.356 -3.996 1.00 0.00 H new ATOM 0 HG22 VAL A 109 6.620 5.365 -5.700 1.00 0.00 H new ATOM 0 HG23 VAL A 109 4.929 4.998 -5.284 1.00 0.00 H new ATOM 1708 N SER A 110 7.904 1.254 -6.993 1.00 0.00 N ATOM 1709 CA SER A 110 8.668 0.015 -7.065 1.00 0.00 C ATOM 1710 C SER A 110 9.964 0.220 -7.843 1.00 0.00 C ATOM 1711 O SER A 110 10.232 1.310 -8.345 1.00 0.00 O ATOM 1712 CB SER A 110 7.834 -1.087 -7.722 1.00 0.00 C ATOM 1713 OG SER A 110 7.625 -0.817 -9.098 1.00 0.00 O ATOM 0 H SER A 110 8.261 2.005 -7.584 1.00 0.00 H new ATOM 0 HA SER A 110 8.919 -0.287 -6.048 1.00 0.00 H new ATOM 0 HB2 SER A 110 8.339 -2.046 -7.609 1.00 0.00 H new ATOM 0 HB3 SER A 110 6.873 -1.171 -7.215 1.00 0.00 H new ATOM 0 HG SER A 110 6.759 -1.182 -9.375 1.00 0.00 H new