USER MOD reduce.3.24.130724 H: found=0, std=0, add=816, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 815 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 86 TYR OH : rot -50:sc= 0.128 USER MOD Set 1.2: A 90 HIS : no HD1:sc=0.000297 X(o=0.13,f=-0.036) USER MOD Set 2.1: A 42 CYS SG : rot -160:sc= -0.0872 USER MOD Set 2.2: A 60 LYS NZ :NH3+ -162:sc= -0.0596 (180deg=-0.361) USER MOD Set 3.1: A 28 THR OG1 : rot 87:sc= 1.36 USER MOD Set 3.2: A 100 ASN : amide:sc= -0.975 X(o=0.38,f=0.22) USER MOD Set 4.1: A 15 SER OG : rot 120:sc= 0.405 USER MOD Set 4.2: A 44 SER OG : rot -172:sc= 0.173 USER MOD Single : A 6 TYR OH : rot 180:sc= -0.987 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 1.15 (180deg=1.15) USER MOD Single : A 11 THR OG1 : rot 180:sc=0.000797 USER MOD Single : A 21 ASN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 24 ASN : amide:sc= 0.259 K(o=0.26,f=-0.6) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.0279 USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.0971 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -0.0115 X(o=-0.012,f=-0.012) USER MOD Single : A 57 LYS NZ :NH3+ 168:sc=-0.00871 (180deg=-0.139) USER MOD Single : A 58 HIS : no HE2:sc= -0.299 X(o=-0.3,f=-0.49) USER MOD Single : A 59 TYR OH : rot 30:sc= -0.138 USER MOD Single : A 63 LYS NZ :NH3+ -115:sc=-0.00334 (180deg=-0.211) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 180:sc= 0.774 USER MOD Single : A 72 THR OG1 : rot -104:sc= 0.269 USER MOD Single : A 73 SER OG : rot 180:sc= 0.0303 USER MOD Single : A 75 THR OG1 : rot 79:sc= 1.29 USER MOD Single : A 76 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 78 SER OG : rot 180:sc= 0.0116 USER MOD Single : A 79 SER OG : rot -160:sc= -0.073 USER MOD Single : A 81 GLN : amide:sc= 0.844 K(o=0.84,f=-4!) USER MOD Single : A 82 GLN : amide:sc= -0.395 X(o=-0.4,f=-0.17) USER MOD Single : A 87 TYR OH : rot 27:sc= 0.0186 USER MOD Single : A 88 SER OG : rot 77:sc= 1.21 USER MOD Single : A 89 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0182) USER MOD Single : A 95 CYS SG : rot -20:sc= 0.137 USER MOD Single : A 96 HIS : no HD1:sc= 0.729 K(o=0.73,f=-4.9!) USER MOD Single : A 99 THR OG1 : rot 41:sc= 0.379 USER MOD Single : A 102 CYS SG : rot -47:sc= 0.343 USER MOD Single : A 104 THR OG1 : rot 180:sc= 0.0379 USER MOD ----------------------------------------------------------------- ATOM 30 N GLU A 3 4.527 -3.444 -11.260 1.00 0.00 N ATOM 31 CA GLU A 3 4.008 -2.186 -11.775 1.00 0.00 C ATOM 32 C GLU A 3 4.419 -1.011 -10.889 1.00 0.00 C ATOM 33 O GLU A 3 5.209 -1.172 -9.960 1.00 0.00 O ATOM 34 CB GLU A 3 2.483 -2.264 -11.881 1.00 0.00 C ATOM 35 CG GLU A 3 1.978 -3.536 -12.555 1.00 0.00 C ATOM 36 CD GLU A 3 2.617 -3.785 -13.909 1.00 0.00 C ATOM 37 OE1 GLU A 3 2.340 -3.018 -14.854 1.00 0.00 O ATOM 38 OE2 GLU A 3 3.403 -4.747 -14.036 1.00 0.00 O ATOM 0 HA GLU A 3 4.432 -2.018 -12.765 1.00 0.00 H new ATOM 0 HB2 GLU A 3 2.055 -2.199 -10.881 1.00 0.00 H new ATOM 0 HB3 GLU A 3 2.122 -1.400 -12.439 1.00 0.00 H new ATOM 0 HG2 GLU A 3 2.175 -4.388 -11.904 1.00 0.00 H new ATOM 0 HG3 GLU A 3 0.897 -3.471 -12.676 1.00 0.00 H new ATOM 45 N GLU A 4 3.867 0.165 -11.186 1.00 0.00 N ATOM 46 CA GLU A 4 4.178 1.397 -10.454 1.00 0.00 C ATOM 47 C GLU A 4 4.057 1.200 -8.945 1.00 0.00 C ATOM 48 O GLU A 4 4.976 1.506 -8.190 1.00 0.00 O ATOM 49 CB GLU A 4 3.224 2.517 -10.884 1.00 0.00 C ATOM 50 CG GLU A 4 3.227 2.803 -12.374 1.00 0.00 C ATOM 51 CD GLU A 4 4.578 3.268 -12.872 1.00 0.00 C ATOM 52 OE1 GLU A 4 4.870 4.478 -12.775 1.00 0.00 O ATOM 53 OE2 GLU A 4 5.356 2.427 -13.361 1.00 0.00 O ATOM 0 H GLU A 4 3.192 0.293 -11.940 1.00 0.00 H new ATOM 0 HA GLU A 4 5.208 1.666 -10.689 1.00 0.00 H new ATOM 0 HB2 GLU A 4 2.211 2.253 -10.579 1.00 0.00 H new ATOM 0 HB3 GLU A 4 3.490 3.429 -10.350 1.00 0.00 H new ATOM 0 HG2 GLU A 4 2.935 1.903 -12.914 1.00 0.00 H new ATOM 0 HG3 GLU A 4 2.480 3.565 -12.596 1.00 0.00 H new ATOM 60 N TRP A 5 2.918 0.676 -8.531 1.00 0.00 N ATOM 61 CA TRP A 5 2.575 0.547 -7.121 1.00 0.00 C ATOM 62 C TRP A 5 3.152 -0.723 -6.502 1.00 0.00 C ATOM 63 O TRP A 5 3.363 -0.792 -5.289 1.00 0.00 O ATOM 64 CB TRP A 5 1.050 0.560 -6.975 1.00 0.00 C ATOM 65 CG TRP A 5 0.341 0.008 -8.179 1.00 0.00 C ATOM 66 CD1 TRP A 5 -0.104 0.718 -9.257 1.00 0.00 C ATOM 67 CD2 TRP A 5 0.003 -1.363 -8.439 1.00 0.00 C ATOM 68 NE1 TRP A 5 -0.692 -0.124 -10.169 1.00 0.00 N ATOM 69 CE2 TRP A 5 -0.640 -1.404 -9.688 1.00 0.00 C ATOM 70 CE3 TRP A 5 0.182 -2.557 -7.737 1.00 0.00 C ATOM 71 CZ2 TRP A 5 -1.100 -2.593 -10.251 1.00 0.00 C ATOM 72 CZ3 TRP A 5 -0.274 -3.734 -8.296 1.00 0.00 C ATOM 73 CH2 TRP A 5 -0.907 -3.746 -9.543 1.00 0.00 C ATOM 0 H TRP A 5 2.199 0.325 -9.164 1.00 0.00 H new ATOM 0 HA TRP A 5 3.013 1.390 -6.586 1.00 0.00 H new ATOM 0 HB2 TRP A 5 0.770 -0.021 -6.097 1.00 0.00 H new ATOM 0 HB3 TRP A 5 0.716 1.583 -6.800 1.00 0.00 H new ATOM 0 HD1 TRP A 5 -0.008 1.787 -9.375 1.00 0.00 H new ATOM 0 HE1 TRP A 5 -1.101 0.159 -11.060 1.00 0.00 H new ATOM 0 HE3 TRP A 5 0.669 -2.559 -6.773 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 -1.592 -2.603 -11.213 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 -0.139 -4.662 -7.761 1.00 0.00 H new ATOM 0 HH2 TRP A 5 -1.250 -4.684 -9.954 1.00 0.00 H new ATOM 84 N TYR A 6 3.421 -1.713 -7.337 1.00 0.00 N ATOM 85 CA TYR A 6 3.833 -3.028 -6.864 1.00 0.00 C ATOM 86 C TYR A 6 5.337 -3.063 -6.624 1.00 0.00 C ATOM 87 O TYR A 6 6.123 -3.091 -7.570 1.00 0.00 O ATOM 88 CB TYR A 6 3.438 -4.093 -7.887 1.00 0.00 C ATOM 89 CG TYR A 6 3.388 -5.496 -7.324 1.00 0.00 C ATOM 90 CD1 TYR A 6 2.249 -5.960 -6.676 1.00 0.00 C ATOM 91 CD2 TYR A 6 4.472 -6.356 -7.441 1.00 0.00 C ATOM 92 CE1 TYR A 6 2.193 -7.242 -6.163 1.00 0.00 C ATOM 93 CE2 TYR A 6 4.422 -7.638 -6.930 1.00 0.00 C ATOM 94 CZ TYR A 6 3.281 -8.076 -6.293 1.00 0.00 C ATOM 95 OH TYR A 6 3.231 -9.352 -5.784 1.00 0.00 O ATOM 0 H TYR A 6 3.361 -1.632 -8.352 1.00 0.00 H new ATOM 0 HA TYR A 6 3.329 -3.235 -5.920 1.00 0.00 H new ATOM 0 HB2 TYR A 6 2.460 -3.842 -8.299 1.00 0.00 H new ATOM 0 HB3 TYR A 6 4.148 -4.069 -8.714 1.00 0.00 H new ATOM 0 HD1 TYR A 6 1.394 -5.308 -6.572 1.00 0.00 H new ATOM 0 HD2 TYR A 6 5.368 -6.017 -7.939 1.00 0.00 H new ATOM 0 HE1 TYR A 6 1.301 -7.588 -5.663 1.00 0.00 H new ATOM 0 HE2 TYR A 6 5.274 -8.295 -7.029 1.00 0.00 H new ATOM 0 HH TYR A 6 4.080 -9.808 -5.961 1.00 0.00 H new ATOM 105 N PHE A 7 5.735 -3.068 -5.359 1.00 0.00 N ATOM 106 CA PHE A 7 7.148 -3.042 -5.012 1.00 0.00 C ATOM 107 C PHE A 7 7.731 -4.451 -4.978 1.00 0.00 C ATOM 108 O PHE A 7 8.944 -4.637 -5.098 1.00 0.00 O ATOM 109 CB PHE A 7 7.358 -2.341 -3.670 1.00 0.00 C ATOM 110 CG PHE A 7 8.373 -1.237 -3.748 1.00 0.00 C ATOM 111 CD1 PHE A 7 8.013 0.019 -4.215 1.00 0.00 C ATOM 112 CD2 PHE A 7 9.686 -1.457 -3.370 1.00 0.00 C ATOM 113 CE1 PHE A 7 8.947 1.032 -4.299 1.00 0.00 C ATOM 114 CE2 PHE A 7 10.625 -0.446 -3.455 1.00 0.00 C ATOM 115 CZ PHE A 7 10.253 0.802 -3.920 1.00 0.00 C ATOM 0 H PHE A 7 5.102 -3.090 -4.560 1.00 0.00 H new ATOM 0 HA PHE A 7 7.674 -2.479 -5.783 1.00 0.00 H new ATOM 0 HB2 PHE A 7 6.408 -1.933 -3.325 1.00 0.00 H new ATOM 0 HB3 PHE A 7 7.679 -3.073 -2.928 1.00 0.00 H new ATOM 0 HD1 PHE A 7 6.993 0.206 -4.516 1.00 0.00 H new ATOM 0 HD2 PHE A 7 9.980 -2.430 -3.004 1.00 0.00 H new ATOM 0 HE1 PHE A 7 8.655 2.006 -4.662 1.00 0.00 H new ATOM 0 HE2 PHE A 7 11.647 -0.631 -3.159 1.00 0.00 H new ATOM 0 HZ PHE A 7 10.983 1.595 -3.986 1.00 0.00 H new ATOM 125 N GLY A 8 6.866 -5.441 -4.811 1.00 0.00 N ATOM 126 CA GLY A 8 7.302 -6.820 -4.896 1.00 0.00 C ATOM 127 C GLY A 8 7.150 -7.583 -3.595 1.00 0.00 C ATOM 128 O GLY A 8 6.444 -7.152 -2.681 1.00 0.00 O ATOM 0 H GLY A 8 5.872 -5.315 -4.619 1.00 0.00 H new ATOM 0 HA2 GLY A 8 6.730 -7.326 -5.674 1.00 0.00 H new ATOM 0 HA3 GLY A 8 8.348 -6.844 -5.202 1.00 0.00 H new ATOM 132 N LYS A 9 7.833 -8.719 -3.516 1.00 0.00 N ATOM 133 CA LYS A 9 7.753 -9.613 -2.362 1.00 0.00 C ATOM 134 C LYS A 9 8.701 -9.166 -1.249 1.00 0.00 C ATOM 135 O LYS A 9 9.565 -9.925 -0.813 1.00 0.00 O ATOM 136 CB LYS A 9 8.113 -11.036 -2.795 1.00 0.00 C ATOM 137 CG LYS A 9 7.241 -11.577 -3.919 1.00 0.00 C ATOM 138 CD LYS A 9 7.868 -12.803 -4.569 1.00 0.00 C ATOM 139 CE LYS A 9 8.040 -13.946 -3.581 1.00 0.00 C ATOM 140 NZ LYS A 9 6.744 -14.572 -3.217 1.00 0.00 N ATOM 0 H LYS A 9 8.459 -9.049 -4.250 1.00 0.00 H new ATOM 0 HA LYS A 9 6.734 -9.584 -1.976 1.00 0.00 H new ATOM 0 HB2 LYS A 9 9.155 -11.055 -3.115 1.00 0.00 H new ATOM 0 HB3 LYS A 9 8.032 -11.699 -1.934 1.00 0.00 H new ATOM 0 HG2 LYS A 9 6.257 -11.835 -3.526 1.00 0.00 H new ATOM 0 HG3 LYS A 9 7.091 -10.802 -4.670 1.00 0.00 H new ATOM 0 HD2 LYS A 9 7.244 -13.132 -5.399 1.00 0.00 H new ATOM 0 HD3 LYS A 9 8.839 -12.536 -4.987 1.00 0.00 H new ATOM 0 HE2 LYS A 9 8.698 -14.701 -4.012 1.00 0.00 H new ATOM 0 HE3 LYS A 9 8.528 -13.575 -2.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 6.910 -15.346 -2.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 6.124 -13.859 -2.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 6.289 -14.950 -4.072 1.00 0.00 H new ATOM 154 N ILE A 10 8.546 -7.932 -0.801 1.00 0.00 N ATOM 155 CA ILE A 10 9.362 -7.419 0.283 1.00 0.00 C ATOM 156 C ILE A 10 8.686 -7.690 1.620 1.00 0.00 C ATOM 157 O ILE A 10 7.464 -7.572 1.752 1.00 0.00 O ATOM 158 CB ILE A 10 9.648 -5.905 0.137 1.00 0.00 C ATOM 159 CG1 ILE A 10 8.343 -5.102 0.064 1.00 0.00 C ATOM 160 CG2 ILE A 10 10.506 -5.647 -1.095 1.00 0.00 C ATOM 161 CD1 ILE A 10 8.551 -3.603 0.042 1.00 0.00 C ATOM 0 H ILE A 10 7.864 -7.269 -1.171 1.00 0.00 H new ATOM 0 HA ILE A 10 10.319 -7.939 0.240 1.00 0.00 H new ATOM 0 HB ILE A 10 10.195 -5.574 1.020 1.00 0.00 H new ATOM 0 HG12 ILE A 10 7.795 -5.397 -0.831 1.00 0.00 H new ATOM 0 HG13 ILE A 10 7.719 -5.361 0.920 1.00 0.00 H new ATOM 0 HG21 ILE A 10 10.700 -4.578 -1.186 1.00 0.00 H new ATOM 0 HG22 ILE A 10 11.452 -6.180 -0.998 1.00 0.00 H new ATOM 0 HG23 ILE A 10 9.981 -5.998 -1.984 1.00 0.00 H new ATOM 0 HD11 ILE A 10 7.584 -3.102 -0.010 1.00 0.00 H new ATOM 0 HD12 ILE A 10 9.071 -3.294 0.949 1.00 0.00 H new ATOM 0 HD13 ILE A 10 9.148 -3.331 -0.829 1.00 0.00 H new ATOM 173 N THR A 11 9.481 -8.078 2.601 1.00 0.00 N ATOM 174 CA THR A 11 8.967 -8.389 3.922 1.00 0.00 C ATOM 175 C THR A 11 8.696 -7.112 4.711 1.00 0.00 C ATOM 176 O THR A 11 8.955 -6.010 4.218 1.00 0.00 O ATOM 177 CB THR A 11 9.948 -9.288 4.696 1.00 0.00 C ATOM 178 OG1 THR A 11 11.251 -8.685 4.720 1.00 0.00 O ATOM 179 CG2 THR A 11 10.032 -10.670 4.064 1.00 0.00 C ATOM 0 H THR A 11 10.491 -8.186 2.506 1.00 0.00 H new ATOM 0 HA THR A 11 8.028 -8.928 3.795 1.00 0.00 H new ATOM 0 HB THR A 11 9.580 -9.397 5.716 1.00 0.00 H new ATOM 0 HG1 THR A 11 11.869 -9.262 5.216 1.00 0.00 H new ATOM 0 HG21 THR A 11 10.731 -11.286 4.629 1.00 0.00 H new ATOM 0 HG22 THR A 11 9.047 -11.136 4.075 1.00 0.00 H new ATOM 0 HG23 THR A 11 10.378 -10.579 3.035 1.00 0.00 H new ATOM 187 N ARG A 12 8.173 -7.255 5.925 1.00 0.00 N ATOM 188 CA ARG A 12 7.816 -6.099 6.741 1.00 0.00 C ATOM 189 C ARG A 12 9.003 -5.153 6.929 1.00 0.00 C ATOM 190 O ARG A 12 8.865 -3.938 6.758 1.00 0.00 O ATOM 191 CB ARG A 12 7.290 -6.526 8.113 1.00 0.00 C ATOM 192 CG ARG A 12 7.016 -5.335 9.015 1.00 0.00 C ATOM 193 CD ARG A 12 6.675 -5.742 10.433 1.00 0.00 C ATOM 194 NE ARG A 12 6.803 -4.608 11.341 1.00 0.00 N ATOM 195 CZ ARG A 12 6.385 -4.592 12.600 1.00 0.00 C ATOM 196 NH1 ARG A 12 5.800 -5.655 13.134 1.00 0.00 N ATOM 197 NH2 ARG A 12 6.555 -3.501 13.334 1.00 0.00 N ATOM 0 H ARG A 12 7.987 -8.157 6.364 1.00 0.00 H new ATOM 0 HA ARG A 12 7.027 -5.572 6.205 1.00 0.00 H new ATOM 0 HB2 ARG A 12 6.374 -7.103 7.986 1.00 0.00 H new ATOM 0 HB3 ARG A 12 8.017 -7.183 8.591 1.00 0.00 H new ATOM 0 HG2 ARG A 12 7.891 -4.686 9.028 1.00 0.00 H new ATOM 0 HG3 ARG A 12 6.193 -4.752 8.601 1.00 0.00 H new ATOM 0 HD2 ARG A 12 5.657 -6.131 10.470 1.00 0.00 H new ATOM 0 HD3 ARG A 12 7.336 -6.547 10.754 1.00 0.00 H new ATOM 0 HE ARG A 12 7.247 -3.763 10.981 1.00 0.00 H new ATOM 0 HH11 ARG A 12 5.667 -6.498 12.576 1.00 0.00 H new ATOM 0 HH12 ARG A 12 5.483 -5.630 14.103 1.00 0.00 H new ATOM 0 HH21 ARG A 12 7.005 -2.680 12.930 1.00 0.00 H new ATOM 0 HH22 ARG A 12 6.236 -3.483 14.303 1.00 0.00 H new ATOM 211 N ARG A 13 10.163 -5.717 7.268 1.00 0.00 N ATOM 212 CA ARG A 13 11.357 -4.914 7.536 1.00 0.00 C ATOM 213 C ARG A 13 11.686 -4.024 6.349 1.00 0.00 C ATOM 214 O ARG A 13 11.903 -2.829 6.508 1.00 0.00 O ATOM 215 CB ARG A 13 12.563 -5.805 7.839 1.00 0.00 C ATOM 216 CG ARG A 13 13.722 -5.051 8.474 1.00 0.00 C ATOM 217 CD ARG A 13 15.063 -5.683 8.135 1.00 0.00 C ATOM 218 NE ARG A 13 15.098 -7.117 8.412 1.00 0.00 N ATOM 219 CZ ARG A 13 16.105 -7.915 8.052 1.00 0.00 C ATOM 220 NH1 ARG A 13 17.188 -7.406 7.473 1.00 0.00 N ATOM 221 NH2 ARG A 13 16.037 -9.219 8.278 1.00 0.00 N ATOM 0 H ARG A 13 10.301 -6.723 7.363 1.00 0.00 H new ATOM 0 HA ARG A 13 11.142 -4.294 8.407 1.00 0.00 H new ATOM 0 HB2 ARG A 13 12.253 -6.610 8.505 1.00 0.00 H new ATOM 0 HB3 ARG A 13 12.904 -6.270 6.914 1.00 0.00 H new ATOM 0 HG2 ARG A 13 13.712 -4.016 8.133 1.00 0.00 H new ATOM 0 HG3 ARG A 13 13.593 -5.031 9.556 1.00 0.00 H new ATOM 0 HD2 ARG A 13 15.282 -5.516 7.081 1.00 0.00 H new ATOM 0 HD3 ARG A 13 15.848 -5.188 8.706 1.00 0.00 H new ATOM 0 HE ARG A 13 14.309 -7.531 8.908 1.00 0.00 H new ATOM 0 HH11 ARG A 13 17.251 -6.402 7.303 1.00 0.00 H new ATOM 0 HH12 ARG A 13 17.956 -8.019 7.199 1.00 0.00 H new ATOM 0 HH21 ARG A 13 15.213 -9.616 8.729 1.00 0.00 H new ATOM 0 HH22 ARG A 13 16.809 -9.826 8.001 1.00 0.00 H new ATOM 235 N GLU A 14 11.700 -4.616 5.159 1.00 0.00 N ATOM 236 CA GLU A 14 12.019 -3.889 3.934 1.00 0.00 C ATOM 237 C GLU A 14 11.037 -2.743 3.699 1.00 0.00 C ATOM 238 O GLU A 14 11.420 -1.680 3.218 1.00 0.00 O ATOM 239 CB GLU A 14 12.004 -4.840 2.737 1.00 0.00 C ATOM 240 CG GLU A 14 13.175 -5.807 2.708 1.00 0.00 C ATOM 241 CD GLU A 14 14.493 -5.114 2.432 1.00 0.00 C ATOM 242 OE1 GLU A 14 14.732 -4.736 1.266 1.00 0.00 O ATOM 243 OE2 GLU A 14 15.301 -4.952 3.370 1.00 0.00 O ATOM 0 H GLU A 14 11.493 -5.604 5.016 1.00 0.00 H new ATOM 0 HA GLU A 14 13.017 -3.465 4.046 1.00 0.00 H new ATOM 0 HB2 GLU A 14 11.075 -5.410 2.749 1.00 0.00 H new ATOM 0 HB3 GLU A 14 12.007 -4.253 1.818 1.00 0.00 H new ATOM 0 HG2 GLU A 14 13.235 -6.328 3.663 1.00 0.00 H new ATOM 0 HG3 GLU A 14 12.999 -6.563 1.943 1.00 0.00 H new ATOM 250 N SER A 15 9.776 -2.963 4.051 1.00 0.00 N ATOM 251 CA SER A 15 8.750 -1.948 3.880 1.00 0.00 C ATOM 252 C SER A 15 9.046 -0.735 4.763 1.00 0.00 C ATOM 253 O SER A 15 9.114 0.395 4.280 1.00 0.00 O ATOM 254 CB SER A 15 7.371 -2.532 4.212 1.00 0.00 C ATOM 255 OG SER A 15 6.341 -1.586 3.985 1.00 0.00 O ATOM 0 H SER A 15 9.442 -3.837 4.457 1.00 0.00 H new ATOM 0 HA SER A 15 8.749 -1.622 2.840 1.00 0.00 H new ATOM 0 HB2 SER A 15 7.193 -3.419 3.603 1.00 0.00 H new ATOM 0 HB3 SER A 15 7.351 -2.851 5.254 1.00 0.00 H new ATOM 0 HG SER A 15 5.718 -1.936 3.314 1.00 0.00 H new ATOM 261 N GLU A 16 9.251 -0.983 6.053 1.00 0.00 N ATOM 262 CA GLU A 16 9.525 0.090 7.001 1.00 0.00 C ATOM 263 C GLU A 16 10.914 0.684 6.757 1.00 0.00 C ATOM 264 O GLU A 16 11.152 1.866 7.009 1.00 0.00 O ATOM 265 CB GLU A 16 9.412 -0.431 8.435 1.00 0.00 C ATOM 266 CG GLU A 16 8.016 -0.929 8.784 1.00 0.00 C ATOM 267 CD GLU A 16 7.894 -1.411 10.217 1.00 0.00 C ATOM 268 OE1 GLU A 16 8.187 -2.594 10.475 1.00 0.00 O ATOM 269 OE2 GLU A 16 7.490 -0.615 11.086 1.00 0.00 O ATOM 0 H GLU A 16 9.233 -1.916 6.465 1.00 0.00 H new ATOM 0 HA GLU A 16 8.786 0.878 6.855 1.00 0.00 H new ATOM 0 HB2 GLU A 16 10.126 -1.242 8.577 1.00 0.00 H new ATOM 0 HB3 GLU A 16 9.691 0.364 9.127 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.298 -0.126 8.615 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.749 -1.743 8.110 1.00 0.00 H new ATOM 276 N ARG A 17 11.813 -0.145 6.251 1.00 0.00 N ATOM 277 CA ARG A 17 13.180 0.263 5.950 1.00 0.00 C ATOM 278 C ARG A 17 13.199 1.433 4.967 1.00 0.00 C ATOM 279 O ARG A 17 13.987 2.366 5.113 1.00 0.00 O ATOM 280 CB ARG A 17 13.944 -0.930 5.372 1.00 0.00 C ATOM 281 CG ARG A 17 15.422 -0.686 5.133 1.00 0.00 C ATOM 282 CD ARG A 17 16.085 -1.937 4.577 1.00 0.00 C ATOM 283 NE ARG A 17 17.515 -1.752 4.344 1.00 0.00 N ATOM 284 CZ ARG A 17 18.322 -2.694 3.860 1.00 0.00 C ATOM 285 NH1 ARG A 17 17.844 -3.890 3.532 1.00 0.00 N ATOM 286 NH2 ARG A 17 19.612 -2.433 3.700 1.00 0.00 N ATOM 0 H ARG A 17 11.617 -1.123 6.036 1.00 0.00 H new ATOM 0 HA ARG A 17 13.661 0.595 6.870 1.00 0.00 H new ATOM 0 HB2 ARG A 17 13.835 -1.776 6.051 1.00 0.00 H new ATOM 0 HB3 ARG A 17 13.481 -1.217 4.428 1.00 0.00 H new ATOM 0 HG2 ARG A 17 15.552 0.142 4.436 1.00 0.00 H new ATOM 0 HG3 ARG A 17 15.904 -0.396 6.066 1.00 0.00 H new ATOM 0 HD2 ARG A 17 15.937 -2.763 5.272 1.00 0.00 H new ATOM 0 HD3 ARG A 17 15.600 -2.217 3.642 1.00 0.00 H new ATOM 0 HE ARG A 17 17.921 -0.843 4.566 1.00 0.00 H new ATOM 0 HH11 ARG A 17 16.851 -4.092 3.650 1.00 0.00 H new ATOM 0 HH12 ARG A 17 18.470 -4.605 3.162 1.00 0.00 H new ATOM 0 HH21 ARG A 17 19.981 -1.515 3.947 1.00 0.00 H new ATOM 0 HH22 ARG A 17 20.235 -3.150 3.330 1.00 0.00 H new ATOM 300 N LEU A 18 12.313 1.383 3.982 1.00 0.00 N ATOM 301 CA LEU A 18 12.252 2.418 2.958 1.00 0.00 C ATOM 302 C LEU A 18 11.344 3.574 3.371 1.00 0.00 C ATOM 303 O LEU A 18 11.573 4.724 2.994 1.00 0.00 O ATOM 304 CB LEU A 18 11.752 1.820 1.642 1.00 0.00 C ATOM 305 CG LEU A 18 12.646 0.737 1.034 1.00 0.00 C ATOM 306 CD1 LEU A 18 11.965 0.095 -0.163 1.00 0.00 C ATOM 307 CD2 LEU A 18 13.987 1.323 0.624 1.00 0.00 C ATOM 0 H LEU A 18 11.626 0.637 3.870 1.00 0.00 H new ATOM 0 HA LEU A 18 13.260 2.812 2.829 1.00 0.00 H new ATOM 0 HB2 LEU A 18 10.760 1.399 1.807 1.00 0.00 H new ATOM 0 HB3 LEU A 18 11.640 2.625 0.916 1.00 0.00 H new ATOM 0 HG LEU A 18 12.818 -0.030 1.789 1.00 0.00 H new ATOM 0 HD11 LEU A 18 12.615 -0.673 -0.583 1.00 0.00 H new ATOM 0 HD12 LEU A 18 11.025 -0.358 0.153 1.00 0.00 H new ATOM 0 HD13 LEU A 18 11.766 0.855 -0.919 1.00 0.00 H new ATOM 0 HD21 LEU A 18 14.610 0.539 0.194 1.00 0.00 H new ATOM 0 HD22 LEU A 18 13.830 2.109 -0.115 1.00 0.00 H new ATOM 0 HD23 LEU A 18 14.484 1.742 1.499 1.00 0.00 H new ATOM 319 N LEU A 19 10.312 3.275 4.154 1.00 0.00 N ATOM 320 CA LEU A 19 9.294 4.270 4.464 1.00 0.00 C ATOM 321 C LEU A 19 9.702 5.200 5.603 1.00 0.00 C ATOM 322 O LEU A 19 9.301 6.359 5.613 1.00 0.00 O ATOM 323 CB LEU A 19 7.956 3.603 4.783 1.00 0.00 C ATOM 324 CG LEU A 19 7.310 2.857 3.615 1.00 0.00 C ATOM 325 CD1 LEU A 19 5.945 2.335 4.018 1.00 0.00 C ATOM 326 CD2 LEU A 19 7.196 3.757 2.393 1.00 0.00 C ATOM 0 H LEU A 19 10.160 2.361 4.581 1.00 0.00 H new ATOM 0 HA LEU A 19 9.185 4.884 3.570 1.00 0.00 H new ATOM 0 HB2 LEU A 19 8.103 2.902 5.605 1.00 0.00 H new ATOM 0 HB3 LEU A 19 7.262 4.366 5.135 1.00 0.00 H new ATOM 0 HG LEU A 19 7.946 2.011 3.354 1.00 0.00 H new ATOM 0 HD11 LEU A 19 5.495 1.806 3.178 1.00 0.00 H new ATOM 0 HD12 LEU A 19 6.051 1.653 4.862 1.00 0.00 H new ATOM 0 HD13 LEU A 19 5.306 3.170 4.305 1.00 0.00 H new ATOM 0 HD21 LEU A 19 6.734 3.204 1.576 1.00 0.00 H new ATOM 0 HD22 LEU A 19 6.583 4.625 2.636 1.00 0.00 H new ATOM 0 HD23 LEU A 19 8.190 4.088 2.091 1.00 0.00 H new ATOM 338 N LEU A 20 10.504 4.719 6.554 1.00 0.00 N ATOM 339 CA LEU A 20 10.936 5.563 7.672 1.00 0.00 C ATOM 340 C LEU A 20 12.049 6.529 7.270 1.00 0.00 C ATOM 341 O LEU A 20 12.845 6.957 8.108 1.00 0.00 O ATOM 342 CB LEU A 20 11.387 4.728 8.873 1.00 0.00 C ATOM 343 CG LEU A 20 10.270 4.286 9.826 1.00 0.00 C ATOM 344 CD1 LEU A 20 9.312 5.437 10.114 1.00 0.00 C ATOM 345 CD2 LEU A 20 9.521 3.090 9.276 1.00 0.00 C ATOM 0 H LEU A 20 10.864 3.765 6.575 1.00 0.00 H new ATOM 0 HA LEU A 20 10.063 6.149 7.961 1.00 0.00 H new ATOM 0 HB2 LEU A 20 11.899 3.839 8.504 1.00 0.00 H new ATOM 0 HB3 LEU A 20 12.118 5.304 9.440 1.00 0.00 H new ATOM 0 HG LEU A 20 10.735 3.987 10.765 1.00 0.00 H new ATOM 0 HD11 LEU A 20 8.529 5.098 10.792 1.00 0.00 H new ATOM 0 HD12 LEU A 20 9.859 6.260 10.574 1.00 0.00 H new ATOM 0 HD13 LEU A 20 8.862 5.778 9.182 1.00 0.00 H new ATOM 0 HD21 LEU A 20 8.736 2.800 9.974 1.00 0.00 H new ATOM 0 HD22 LEU A 20 9.075 3.350 8.316 1.00 0.00 H new ATOM 0 HD23 LEU A 20 10.212 2.258 9.142 1.00 0.00 H new ATOM 357 N ASN A 21 12.092 6.879 5.997 1.00 0.00 N ATOM 358 CA ASN A 21 13.005 7.896 5.511 1.00 0.00 C ATOM 359 C ASN A 21 12.252 9.215 5.373 1.00 0.00 C ATOM 360 O ASN A 21 11.279 9.301 4.628 1.00 0.00 O ATOM 361 CB ASN A 21 13.614 7.474 4.168 1.00 0.00 C ATOM 362 CG ASN A 21 14.531 6.266 4.295 1.00 0.00 C ATOM 363 OD1 ASN A 21 15.202 6.082 5.310 1.00 0.00 O ATOM 364 ND2 ASN A 21 14.555 5.428 3.268 1.00 0.00 N ATOM 0 H ASN A 21 11.499 6.469 5.276 1.00 0.00 H new ATOM 0 HA ASN A 21 13.822 8.021 6.221 1.00 0.00 H new ATOM 0 HB2 ASN A 21 12.812 7.245 3.466 1.00 0.00 H new ATOM 0 HB3 ASN A 21 14.175 8.309 3.749 1.00 0.00 H new ATOM 0 HD21 ASN A 21 15.144 4.596 3.302 1.00 0.00 H new ATOM 0 HD22 ASN A 21 13.984 5.615 2.444 1.00 0.00 H new ATOM 371 N PRO A 22 12.691 10.259 6.096 1.00 0.00 N ATOM 372 CA PRO A 22 11.973 11.549 6.183 1.00 0.00 C ATOM 373 C PRO A 22 11.834 12.277 4.843 1.00 0.00 C ATOM 374 O PRO A 22 11.189 13.323 4.759 1.00 0.00 O ATOM 375 CB PRO A 22 12.829 12.374 7.152 1.00 0.00 C ATOM 376 CG PRO A 22 14.171 11.731 7.126 1.00 0.00 C ATOM 377 CD PRO A 22 13.926 10.269 6.895 1.00 0.00 C ATOM 0 HA PRO A 22 10.944 11.397 6.509 1.00 0.00 H new ATOM 0 HB2 PRO A 22 12.885 13.417 6.839 1.00 0.00 H new ATOM 0 HB3 PRO A 22 12.407 12.365 8.157 1.00 0.00 H new ATOM 0 HG2 PRO A 22 14.790 12.153 6.334 1.00 0.00 H new ATOM 0 HG3 PRO A 22 14.700 11.894 8.065 1.00 0.00 H new ATOM 0 HD2 PRO A 22 14.754 9.801 6.363 1.00 0.00 H new ATOM 0 HD3 PRO A 22 13.803 9.728 7.833 1.00 0.00 H new ATOM 385 N GLU A 23 12.425 11.719 3.794 1.00 0.00 N ATOM 386 CA GLU A 23 12.311 12.291 2.459 1.00 0.00 C ATOM 387 C GLU A 23 10.952 11.956 1.849 1.00 0.00 C ATOM 388 O GLU A 23 10.551 12.530 0.837 1.00 0.00 O ATOM 389 CB GLU A 23 13.433 11.771 1.557 1.00 0.00 C ATOM 390 CG GLU A 23 14.823 12.034 2.108 1.00 0.00 C ATOM 391 CD GLU A 23 15.924 11.597 1.162 1.00 0.00 C ATOM 392 OE1 GLU A 23 16.271 10.397 1.159 1.00 0.00 O ATOM 393 OE2 GLU A 23 16.457 12.457 0.430 1.00 0.00 O ATOM 0 H GLU A 23 12.989 10.870 3.842 1.00 0.00 H new ATOM 0 HA GLU A 23 12.401 13.374 2.541 1.00 0.00 H new ATOM 0 HB2 GLU A 23 13.305 10.698 1.413 1.00 0.00 H new ATOM 0 HB3 GLU A 23 13.345 12.237 0.576 1.00 0.00 H new ATOM 0 HG2 GLU A 23 14.931 13.099 2.316 1.00 0.00 H new ATOM 0 HG3 GLU A 23 14.937 11.511 3.057 1.00 0.00 H new ATOM 400 N ASN A 24 10.247 11.024 2.483 1.00 0.00 N ATOM 401 CA ASN A 24 8.942 10.580 2.000 1.00 0.00 C ATOM 402 C ASN A 24 7.835 11.515 2.478 1.00 0.00 C ATOM 403 O ASN A 24 7.705 11.775 3.674 1.00 0.00 O ATOM 404 CB ASN A 24 8.648 9.155 2.488 1.00 0.00 C ATOM 405 CG ASN A 24 9.619 8.127 1.939 1.00 0.00 C ATOM 406 OD1 ASN A 24 10.122 8.257 0.824 1.00 0.00 O ATOM 407 ND2 ASN A 24 9.898 7.101 2.729 1.00 0.00 N ATOM 0 H ASN A 24 10.558 10.559 3.336 1.00 0.00 H new ATOM 0 HA ASN A 24 8.969 10.593 0.910 1.00 0.00 H new ATOM 0 HB2 ASN A 24 8.684 9.135 3.577 1.00 0.00 H new ATOM 0 HB3 ASN A 24 7.634 8.880 2.198 1.00 0.00 H new ATOM 0 HD21 ASN A 24 10.552 6.382 2.419 1.00 0.00 H new ATOM 0 HD22 ASN A 24 9.459 7.030 3.647 1.00 0.00 H new ATOM 414 N PRO A 25 7.044 12.056 1.542 1.00 0.00 N ATOM 415 CA PRO A 25 5.883 12.884 1.874 1.00 0.00 C ATOM 416 C PRO A 25 4.682 12.046 2.317 1.00 0.00 C ATOM 417 O PRO A 25 4.527 10.891 1.910 1.00 0.00 O ATOM 418 CB PRO A 25 5.583 13.601 0.556 1.00 0.00 C ATOM 419 CG PRO A 25 6.080 12.681 -0.505 1.00 0.00 C ATOM 420 CD PRO A 25 7.242 11.927 0.087 1.00 0.00 C ATOM 0 HA PRO A 25 6.079 13.557 2.708 1.00 0.00 H new ATOM 0 HB2 PRO A 25 4.516 13.792 0.445 1.00 0.00 H new ATOM 0 HB3 PRO A 25 6.086 14.567 0.509 1.00 0.00 H new ATOM 0 HG2 PRO A 25 5.294 11.995 -0.822 1.00 0.00 H new ATOM 0 HG3 PRO A 25 6.390 13.240 -1.388 1.00 0.00 H new ATOM 0 HD2 PRO A 25 7.241 10.883 -0.225 1.00 0.00 H new ATOM 0 HD3 PRO A 25 8.195 12.353 -0.226 1.00 0.00 H new ATOM 428 N ARG A 26 3.847 12.634 3.167 1.00 0.00 N ATOM 429 CA ARG A 26 2.635 11.980 3.652 1.00 0.00 C ATOM 430 C ARG A 26 1.750 11.551 2.485 1.00 0.00 C ATOM 431 O ARG A 26 1.218 12.387 1.752 1.00 0.00 O ATOM 432 CB ARG A 26 1.873 12.929 4.584 1.00 0.00 C ATOM 433 CG ARG A 26 0.613 12.331 5.192 1.00 0.00 C ATOM 434 CD ARG A 26 0.000 13.266 6.228 1.00 0.00 C ATOM 435 NE ARG A 26 -0.362 14.568 5.661 1.00 0.00 N ATOM 436 CZ ARG A 26 -0.264 15.728 6.316 1.00 0.00 C ATOM 437 NH1 ARG A 26 0.176 15.754 7.569 1.00 0.00 N ATOM 438 NH2 ARG A 26 -0.608 16.864 5.713 1.00 0.00 N ATOM 0 H ARG A 26 3.989 13.573 3.538 1.00 0.00 H new ATOM 0 HA ARG A 26 2.916 11.086 4.208 1.00 0.00 H new ATOM 0 HB2 ARG A 26 2.538 13.241 5.389 1.00 0.00 H new ATOM 0 HB3 ARG A 26 1.603 13.827 4.028 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -0.114 12.131 4.405 1.00 0.00 H new ATOM 0 HG3 ARG A 26 0.850 11.374 5.658 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -0.888 12.799 6.655 1.00 0.00 H new ATOM 0 HD3 ARG A 26 0.707 13.412 7.045 1.00 0.00 H new ATOM 0 HE ARG A 26 -0.712 14.590 4.703 1.00 0.00 H new ATOM 0 HH11 ARG A 26 0.441 14.886 8.035 1.00 0.00 H new ATOM 0 HH12 ARG A 26 0.249 16.642 8.065 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -0.946 16.849 4.751 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -0.533 17.750 6.213 1.00 0.00 H new ATOM 452 N GLY A 27 1.605 10.243 2.315 1.00 0.00 N ATOM 453 CA GLY A 27 0.843 9.716 1.197 1.00 0.00 C ATOM 454 C GLY A 27 1.687 8.838 0.291 1.00 0.00 C ATOM 455 O GLY A 27 1.260 8.477 -0.811 1.00 0.00 O ATOM 0 H GLY A 27 2.002 9.535 2.933 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -0.002 9.140 1.575 1.00 0.00 H new ATOM 0 HA3 GLY A 27 0.431 10.543 0.618 1.00 0.00 H new ATOM 459 N THR A 28 2.893 8.518 0.749 1.00 0.00 N ATOM 460 CA THR A 28 3.786 7.621 0.029 1.00 0.00 C ATOM 461 C THR A 28 3.443 6.167 0.337 1.00 0.00 C ATOM 462 O THR A 28 3.583 5.720 1.474 1.00 0.00 O ATOM 463 CB THR A 28 5.255 7.900 0.411 1.00 0.00 C ATOM 464 OG1 THR A 28 5.578 9.266 0.122 1.00 0.00 O ATOM 465 CG2 THR A 28 6.207 6.977 -0.335 1.00 0.00 C ATOM 0 H THR A 28 3.276 8.872 1.626 1.00 0.00 H new ATOM 0 HA THR A 28 3.657 7.798 -1.039 1.00 0.00 H new ATOM 0 HB THR A 28 5.369 7.712 1.478 1.00 0.00 H new ATOM 0 HG1 THR A 28 5.344 9.827 0.891 1.00 0.00 H new ATOM 0 HG21 THR A 28 7.233 7.200 -0.043 1.00 0.00 H new ATOM 0 HG22 THR A 28 5.977 5.941 -0.089 1.00 0.00 H new ATOM 0 HG23 THR A 28 6.094 7.129 -1.409 1.00 0.00 H new ATOM 473 N PHE A 29 2.995 5.435 -0.669 1.00 0.00 N ATOM 474 CA PHE A 29 2.541 4.065 -0.470 1.00 0.00 C ATOM 475 C PHE A 29 3.321 3.093 -1.343 1.00 0.00 C ATOM 476 O PHE A 29 3.976 3.493 -2.303 1.00 0.00 O ATOM 477 CB PHE A 29 1.045 3.951 -0.787 1.00 0.00 C ATOM 478 CG PHE A 29 0.711 4.128 -2.247 1.00 0.00 C ATOM 479 CD1 PHE A 29 0.586 5.392 -2.794 1.00 0.00 C ATOM 480 CD2 PHE A 29 0.517 3.026 -3.066 1.00 0.00 C ATOM 481 CE1 PHE A 29 0.278 5.556 -4.132 1.00 0.00 C ATOM 482 CE2 PHE A 29 0.209 3.184 -4.404 1.00 0.00 C ATOM 483 CZ PHE A 29 0.090 4.450 -4.938 1.00 0.00 C ATOM 0 H PHE A 29 2.935 5.765 -1.632 1.00 0.00 H new ATOM 0 HA PHE A 29 2.713 3.806 0.575 1.00 0.00 H new ATOM 0 HB2 PHE A 29 0.688 2.975 -0.459 1.00 0.00 H new ATOM 0 HB3 PHE A 29 0.504 4.699 -0.208 1.00 0.00 H new ATOM 0 HD1 PHE A 29 0.731 6.261 -2.169 1.00 0.00 H new ATOM 0 HD2 PHE A 29 0.608 2.032 -2.653 1.00 0.00 H new ATOM 0 HE1 PHE A 29 0.184 6.549 -4.547 1.00 0.00 H new ATOM 0 HE2 PHE A 29 0.062 2.317 -5.031 1.00 0.00 H new ATOM 0 HZ PHE A 29 -0.150 4.576 -5.983 1.00 0.00 H new ATOM 493 N LEU A 30 3.250 1.820 -0.991 1.00 0.00 N ATOM 494 CA LEU A 30 3.807 0.754 -1.814 1.00 0.00 C ATOM 495 C LEU A 30 3.147 -0.572 -1.447 1.00 0.00 C ATOM 496 O LEU A 30 3.065 -0.932 -0.271 1.00 0.00 O ATOM 497 CB LEU A 30 5.343 0.659 -1.675 1.00 0.00 C ATOM 498 CG LEU A 30 5.895 0.035 -0.378 1.00 0.00 C ATOM 499 CD1 LEU A 30 7.407 -0.078 -0.450 1.00 0.00 C ATOM 500 CD2 LEU A 30 5.504 0.849 0.841 1.00 0.00 C ATOM 0 H LEU A 30 2.807 1.495 -0.131 1.00 0.00 H new ATOM 0 HA LEU A 30 3.598 0.986 -2.858 1.00 0.00 H new ATOM 0 HB2 LEU A 30 5.723 0.080 -2.517 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.754 1.664 -1.768 1.00 0.00 H new ATOM 0 HG LEU A 30 5.459 -0.959 -0.280 1.00 0.00 H new ATOM 0 HD11 LEU A 30 7.783 -0.520 0.473 1.00 0.00 H new ATOM 0 HD12 LEU A 30 7.685 -0.709 -1.294 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.840 0.914 -0.580 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.910 0.380 1.737 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.903 1.859 0.747 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.417 0.894 0.915 1.00 0.00 H new ATOM 512 N VAL A 31 2.645 -1.287 -2.440 1.00 0.00 N ATOM 513 CA VAL A 31 2.002 -2.561 -2.171 1.00 0.00 C ATOM 514 C VAL A 31 2.989 -3.709 -2.346 1.00 0.00 C ATOM 515 O VAL A 31 3.592 -3.891 -3.407 1.00 0.00 O ATOM 516 CB VAL A 31 0.731 -2.783 -3.030 1.00 0.00 C ATOM 517 CG1 VAL A 31 1.012 -2.585 -4.501 1.00 0.00 C ATOM 518 CG2 VAL A 31 0.146 -4.164 -2.784 1.00 0.00 C ATOM 0 H VAL A 31 2.669 -1.013 -3.422 1.00 0.00 H new ATOM 0 HA VAL A 31 1.673 -2.538 -1.132 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.001 -2.035 -2.726 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.098 -2.749 -5.071 1.00 0.00 H new ATOM 0 HG12 VAL A 31 1.368 -1.569 -4.670 1.00 0.00 H new ATOM 0 HG13 VAL A 31 1.774 -3.294 -4.825 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.745 -4.296 -3.398 1.00 0.00 H new ATOM 0 HG22 VAL A 31 0.883 -4.923 -3.046 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -0.120 -4.264 -1.732 1.00 0.00 H new ATOM 528 N ARG A 32 3.170 -4.456 -1.274 1.00 0.00 N ATOM 529 CA ARG A 32 4.081 -5.581 -1.258 1.00 0.00 C ATOM 530 C ARG A 32 3.292 -6.883 -1.215 1.00 0.00 C ATOM 531 O ARG A 32 2.115 -6.888 -0.851 1.00 0.00 O ATOM 532 CB ARG A 32 5.002 -5.491 -0.039 1.00 0.00 C ATOM 533 CG ARG A 32 4.260 -5.560 1.283 1.00 0.00 C ATOM 534 CD ARG A 32 5.214 -5.548 2.467 1.00 0.00 C ATOM 535 NE ARG A 32 4.527 -5.871 3.715 1.00 0.00 N ATOM 536 CZ ARG A 32 4.588 -7.065 4.307 1.00 0.00 C ATOM 537 NH1 ARG A 32 5.348 -8.028 3.794 1.00 0.00 N ATOM 538 NH2 ARG A 32 3.898 -7.299 5.415 1.00 0.00 N ATOM 0 H ARG A 32 2.688 -4.299 -0.389 1.00 0.00 H new ATOM 0 HA ARG A 32 4.688 -5.560 -2.163 1.00 0.00 H new ATOM 0 HB2 ARG A 32 5.729 -6.302 -0.082 1.00 0.00 H new ATOM 0 HB3 ARG A 32 5.562 -4.557 -0.084 1.00 0.00 H new ATOM 0 HG2 ARG A 32 3.575 -4.716 1.360 1.00 0.00 H new ATOM 0 HG3 ARG A 32 3.654 -6.466 1.313 1.00 0.00 H new ATOM 0 HD2 ARG A 32 6.016 -6.266 2.296 1.00 0.00 H new ATOM 0 HD3 ARG A 32 5.679 -4.566 2.551 1.00 0.00 H new ATOM 0 HE ARG A 32 3.969 -5.142 4.159 1.00 0.00 H new ATOM 0 HH11 ARG A 32 5.887 -7.855 2.945 1.00 0.00 H new ATOM 0 HH12 ARG A 32 5.392 -8.940 4.249 1.00 0.00 H new ATOM 0 HH21 ARG A 32 3.317 -6.564 5.819 1.00 0.00 H new ATOM 0 HH22 ARG A 32 3.948 -8.214 5.863 1.00 0.00 H new ATOM 552 N GLU A 33 3.932 -7.974 -1.599 1.00 0.00 N ATOM 553 CA GLU A 33 3.314 -9.290 -1.512 1.00 0.00 C ATOM 554 C GLU A 33 3.674 -9.941 -0.187 1.00 0.00 C ATOM 555 O GLU A 33 4.825 -9.881 0.246 1.00 0.00 O ATOM 556 CB GLU A 33 3.788 -10.193 -2.655 1.00 0.00 C ATOM 557 CG GLU A 33 3.096 -11.550 -2.682 1.00 0.00 C ATOM 558 CD GLU A 33 3.983 -12.657 -3.217 1.00 0.00 C ATOM 559 OE1 GLU A 33 4.111 -12.785 -4.450 1.00 0.00 O ATOM 560 OE2 GLU A 33 4.552 -13.415 -2.403 1.00 0.00 O ATOM 0 H GLU A 33 4.880 -7.977 -1.975 1.00 0.00 H new ATOM 0 HA GLU A 33 2.234 -9.163 -1.586 1.00 0.00 H new ATOM 0 HB2 GLU A 33 3.614 -9.686 -3.604 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.864 -10.344 -2.566 1.00 0.00 H new ATOM 0 HG2 GLU A 33 2.772 -11.807 -1.673 1.00 0.00 H new ATOM 0 HG3 GLU A 33 2.199 -11.482 -3.297 1.00 0.00 H new ATOM 567 N SER A 34 2.697 -10.544 0.464 1.00 0.00 N ATOM 568 CA SER A 34 2.968 -11.320 1.654 1.00 0.00 C ATOM 569 C SER A 34 3.066 -12.794 1.274 1.00 0.00 C ATOM 570 O SER A 34 2.053 -13.465 1.075 1.00 0.00 O ATOM 571 CB SER A 34 1.884 -11.093 2.715 1.00 0.00 C ATOM 572 OG SER A 34 2.252 -11.671 3.960 1.00 0.00 O ATOM 0 H SER A 34 1.715 -10.511 0.189 1.00 0.00 H new ATOM 0 HA SER A 34 3.915 -10.998 2.088 1.00 0.00 H new ATOM 0 HB2 SER A 34 1.716 -10.024 2.843 1.00 0.00 H new ATOM 0 HB3 SER A 34 0.943 -11.525 2.375 1.00 0.00 H new ATOM 0 HG SER A 34 1.544 -11.510 4.618 1.00 0.00 H new ATOM 578 N GLU A 35 4.301 -13.273 1.170 1.00 0.00 N ATOM 579 CA GLU A 35 4.597 -14.606 0.653 1.00 0.00 C ATOM 580 C GLU A 35 3.821 -15.710 1.372 1.00 0.00 C ATOM 581 O GLU A 35 3.415 -16.694 0.754 1.00 0.00 O ATOM 582 CB GLU A 35 6.096 -14.877 0.774 1.00 0.00 C ATOM 583 CG GLU A 35 6.600 -14.817 2.204 1.00 0.00 C ATOM 584 CD GLU A 35 8.086 -15.057 2.320 1.00 0.00 C ATOM 585 OE1 GLU A 35 8.534 -16.197 2.071 1.00 0.00 O ATOM 586 OE2 GLU A 35 8.811 -14.121 2.701 1.00 0.00 O ATOM 0 H GLU A 35 5.130 -12.745 1.443 1.00 0.00 H new ATOM 0 HA GLU A 35 4.284 -14.622 -0.391 1.00 0.00 H new ATOM 0 HB2 GLU A 35 6.316 -15.861 0.359 1.00 0.00 H new ATOM 0 HB3 GLU A 35 6.640 -14.149 0.173 1.00 0.00 H new ATOM 0 HG2 GLU A 35 6.362 -13.841 2.626 1.00 0.00 H new ATOM 0 HG3 GLU A 35 6.071 -15.560 2.801 1.00 0.00 H new ATOM 593 N THR A 36 3.598 -15.535 2.669 1.00 0.00 N ATOM 594 CA THR A 36 3.003 -16.578 3.492 1.00 0.00 C ATOM 595 C THR A 36 1.474 -16.547 3.467 1.00 0.00 C ATOM 596 O THR A 36 0.820 -17.089 4.356 1.00 0.00 O ATOM 597 CB THR A 36 3.509 -16.474 4.942 1.00 0.00 C ATOM 598 OG1 THR A 36 3.530 -15.098 5.360 1.00 0.00 O ATOM 599 CG2 THR A 36 4.904 -17.070 5.060 1.00 0.00 C ATOM 0 H THR A 36 3.822 -14.677 3.174 1.00 0.00 H new ATOM 0 HA THR A 36 3.314 -17.531 3.065 1.00 0.00 H new ATOM 0 HB THR A 36 2.831 -17.033 5.587 1.00 0.00 H new ATOM 0 HG1 THR A 36 3.852 -15.042 6.284 1.00 0.00 H new ATOM 0 HG21 THR A 36 5.248 -16.989 6.091 1.00 0.00 H new ATOM 0 HG22 THR A 36 4.877 -18.120 4.768 1.00 0.00 H new ATOM 0 HG23 THR A 36 5.587 -16.529 4.406 1.00 0.00 H new ATOM 607 N THR A 37 0.906 -15.901 2.459 1.00 0.00 N ATOM 608 CA THR A 37 -0.537 -15.909 2.257 1.00 0.00 C ATOM 609 C THR A 37 -0.860 -15.726 0.777 1.00 0.00 C ATOM 610 O THR A 37 -0.429 -14.757 0.149 1.00 0.00 O ATOM 611 CB THR A 37 -1.243 -14.814 3.085 1.00 0.00 C ATOM 612 OG1 THR A 37 -0.842 -14.895 4.461 1.00 0.00 O ATOM 613 CG2 THR A 37 -2.755 -14.960 2.994 1.00 0.00 C ATOM 0 H THR A 37 1.424 -15.362 1.765 1.00 0.00 H new ATOM 0 HA THR A 37 -0.909 -16.875 2.598 1.00 0.00 H new ATOM 0 HB THR A 37 -0.954 -13.845 2.678 1.00 0.00 H new ATOM 0 HG1 THR A 37 -1.295 -14.195 4.976 1.00 0.00 H new ATOM 0 HG21 THR A 37 -3.232 -14.178 3.585 1.00 0.00 H new ATOM 0 HG22 THR A 37 -3.067 -14.870 1.954 1.00 0.00 H new ATOM 0 HG23 THR A 37 -3.050 -15.936 3.378 1.00 0.00 H new ATOM 621 N LYS A 38 -1.614 -16.663 0.227 1.00 0.00 N ATOM 622 CA LYS A 38 -1.901 -16.680 -1.202 1.00 0.00 C ATOM 623 C LYS A 38 -2.836 -15.539 -1.602 1.00 0.00 C ATOM 624 O LYS A 38 -4.038 -15.579 -1.333 1.00 0.00 O ATOM 625 CB LYS A 38 -2.529 -18.016 -1.597 1.00 0.00 C ATOM 626 CG LYS A 38 -1.674 -19.226 -1.256 1.00 0.00 C ATOM 627 CD LYS A 38 -2.398 -20.520 -1.589 1.00 0.00 C ATOM 628 CE LYS A 38 -2.711 -20.622 -3.074 1.00 0.00 C ATOM 629 NZ LYS A 38 -3.656 -21.729 -3.372 1.00 0.00 N ATOM 0 H LYS A 38 -2.042 -17.427 0.750 1.00 0.00 H new ATOM 0 HA LYS A 38 -0.956 -16.547 -1.729 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -3.494 -18.114 -1.099 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -2.723 -18.012 -2.670 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -0.735 -19.179 -1.808 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -1.422 -19.210 -0.196 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -1.784 -21.369 -1.287 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -3.324 -20.577 -1.017 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -3.137 -19.680 -3.420 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -1.786 -20.777 -3.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -3.841 -21.762 -4.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -3.240 -22.632 -3.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -4.549 -21.569 -2.864 1.00 0.00 H new ATOM 643 N GLY A 39 -2.272 -14.518 -2.234 1.00 0.00 N ATOM 644 CA GLY A 39 -3.081 -13.440 -2.768 1.00 0.00 C ATOM 645 C GLY A 39 -3.259 -12.293 -1.795 1.00 0.00 C ATOM 646 O GLY A 39 -4.010 -11.358 -2.067 1.00 0.00 O ATOM 0 H GLY A 39 -1.269 -14.417 -2.386 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -2.619 -13.065 -3.682 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -4.061 -13.831 -3.043 1.00 0.00 H new ATOM 650 N ALA A 40 -2.580 -12.355 -0.662 1.00 0.00 N ATOM 651 CA ALA A 40 -2.662 -11.289 0.318 1.00 0.00 C ATOM 652 C ALA A 40 -1.520 -10.312 0.129 1.00 0.00 C ATOM 653 O ALA A 40 -0.348 -10.651 0.320 1.00 0.00 O ATOM 654 CB ALA A 40 -2.658 -11.837 1.732 1.00 0.00 C ATOM 0 H ALA A 40 -1.969 -13.129 -0.400 1.00 0.00 H new ATOM 0 HA ALA A 40 -3.606 -10.765 0.165 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -2.720 -11.012 2.442 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -3.513 -12.499 1.868 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -1.737 -12.394 1.904 1.00 0.00 H new ATOM 660 N TYR A 41 -1.866 -9.104 -0.257 1.00 0.00 N ATOM 661 CA TYR A 41 -0.886 -8.064 -0.471 1.00 0.00 C ATOM 662 C TYR A 41 -0.936 -7.085 0.686 1.00 0.00 C ATOM 663 O TYR A 41 -1.838 -7.148 1.518 1.00 0.00 O ATOM 664 CB TYR A 41 -1.151 -7.353 -1.798 1.00 0.00 C ATOM 665 CG TYR A 41 -1.209 -8.298 -2.977 1.00 0.00 C ATOM 666 CD1 TYR A 41 -0.045 -8.806 -3.539 1.00 0.00 C ATOM 667 CD2 TYR A 41 -2.426 -8.691 -3.518 1.00 0.00 C ATOM 668 CE1 TYR A 41 -0.093 -9.682 -4.607 1.00 0.00 C ATOM 669 CE2 TYR A 41 -2.480 -9.563 -4.587 1.00 0.00 C ATOM 670 CZ TYR A 41 -1.312 -10.055 -5.127 1.00 0.00 C ATOM 671 OH TYR A 41 -1.367 -10.931 -6.189 1.00 0.00 O ATOM 0 H TYR A 41 -2.829 -8.816 -0.430 1.00 0.00 H new ATOM 0 HA TYR A 41 0.110 -8.504 -0.519 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -2.093 -6.809 -1.730 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -0.368 -6.615 -1.970 1.00 0.00 H new ATOM 0 HD1 TYR A 41 0.913 -8.512 -3.135 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -3.344 -8.309 -3.096 1.00 0.00 H new ATOM 0 HE1 TYR A 41 0.821 -10.072 -5.031 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -3.434 -9.858 -4.998 1.00 0.00 H new ATOM 0 HH TYR A 41 -2.303 -11.091 -6.433 1.00 0.00 H new ATOM 681 N CYS A 42 0.034 -6.199 0.763 1.00 0.00 N ATOM 682 CA CYS A 42 0.051 -5.207 1.821 1.00 0.00 C ATOM 683 C CYS A 42 0.349 -3.829 1.255 1.00 0.00 C ATOM 684 O CYS A 42 1.467 -3.551 0.820 1.00 0.00 O ATOM 685 CB CYS A 42 1.074 -5.589 2.890 1.00 0.00 C ATOM 686 SG CYS A 42 0.773 -7.208 3.641 1.00 0.00 S ATOM 0 H CYS A 42 0.817 -6.144 0.111 1.00 0.00 H new ATOM 0 HA CYS A 42 -0.935 -5.176 2.286 1.00 0.00 H new ATOM 0 HB2 CYS A 42 2.069 -5.584 2.446 1.00 0.00 H new ATOM 0 HB3 CYS A 42 1.070 -4.829 3.672 1.00 0.00 H new ATOM 0 HG CYS A 42 1.390 -7.278 4.783 1.00 0.00 H new ATOM 692 N LEU A 43 -0.669 -2.984 1.249 1.00 0.00 N ATOM 693 CA LEU A 43 -0.530 -1.610 0.811 1.00 0.00 C ATOM 694 C LEU A 43 0.006 -0.792 1.980 1.00 0.00 C ATOM 695 O LEU A 43 -0.753 -0.212 2.753 1.00 0.00 O ATOM 696 CB LEU A 43 -1.895 -1.069 0.332 1.00 0.00 C ATOM 697 CG LEU A 43 -1.872 0.178 -0.580 1.00 0.00 C ATOM 698 CD1 LEU A 43 -1.331 1.397 0.146 1.00 0.00 C ATOM 699 CD2 LEU A 43 -1.064 -0.082 -1.842 1.00 0.00 C ATOM 0 H LEU A 43 -1.612 -3.233 1.547 1.00 0.00 H new ATOM 0 HA LEU A 43 0.163 -1.542 -0.027 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -2.409 -1.869 -0.200 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.495 -0.835 1.212 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.904 0.385 -0.862 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.331 2.253 -0.529 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.960 1.616 1.009 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.313 1.199 0.481 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.065 0.812 -2.465 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.039 -0.335 -1.572 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.509 -0.910 -2.395 1.00 0.00 H new ATOM 711 N SER A 44 1.315 -0.798 2.129 1.00 0.00 N ATOM 712 CA SER A 44 1.952 -0.053 3.191 1.00 0.00 C ATOM 713 C SER A 44 2.082 1.406 2.777 1.00 0.00 C ATOM 714 O SER A 44 2.570 1.710 1.690 1.00 0.00 O ATOM 715 CB SER A 44 3.321 -0.659 3.510 1.00 0.00 C ATOM 716 OG SER A 44 3.988 0.055 4.521 1.00 0.00 O ATOM 0 H SER A 44 1.958 -1.312 1.526 1.00 0.00 H new ATOM 0 HA SER A 44 1.343 -0.106 4.093 1.00 0.00 H new ATOM 0 HB2 SER A 44 3.195 -1.696 3.821 1.00 0.00 H new ATOM 0 HB3 SER A 44 3.933 -0.668 2.608 1.00 0.00 H new ATOM 0 HG SER A 44 4.903 -0.283 4.611 1.00 0.00 H new ATOM 722 N VAL A 45 1.614 2.302 3.624 1.00 0.00 N ATOM 723 CA VAL A 45 1.670 3.720 3.329 1.00 0.00 C ATOM 724 C VAL A 45 2.369 4.461 4.462 1.00 0.00 C ATOM 725 O VAL A 45 2.179 4.142 5.640 1.00 0.00 O ATOM 726 CB VAL A 45 0.253 4.305 3.087 1.00 0.00 C ATOM 727 CG1 VAL A 45 -0.611 4.193 4.332 1.00 0.00 C ATOM 728 CG2 VAL A 45 0.327 5.749 2.613 1.00 0.00 C ATOM 0 H VAL A 45 1.190 2.073 4.523 1.00 0.00 H new ATOM 0 HA VAL A 45 2.242 3.853 2.411 1.00 0.00 H new ATOM 0 HB VAL A 45 -0.214 3.714 2.299 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -1.597 4.612 4.130 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -0.712 3.144 4.611 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -0.144 4.743 5.149 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -0.681 6.131 2.452 1.00 0.00 H new ATOM 0 HG22 VAL A 45 0.828 6.355 3.368 1.00 0.00 H new ATOM 0 HG23 VAL A 45 0.887 5.797 1.679 1.00 0.00 H new ATOM 738 N SER A 46 3.213 5.410 4.104 1.00 0.00 N ATOM 739 CA SER A 46 3.910 6.203 5.091 1.00 0.00 C ATOM 740 C SER A 46 2.990 7.268 5.655 1.00 0.00 C ATOM 741 O SER A 46 2.477 8.131 4.935 1.00 0.00 O ATOM 742 CB SER A 46 5.170 6.829 4.500 1.00 0.00 C ATOM 743 OG SER A 46 5.834 7.645 5.447 1.00 0.00 O ATOM 0 H SER A 46 3.431 5.648 3.136 1.00 0.00 H new ATOM 0 HA SER A 46 4.217 5.546 5.905 1.00 0.00 H new ATOM 0 HB2 SER A 46 5.843 6.043 4.159 1.00 0.00 H new ATOM 0 HB3 SER A 46 4.907 7.424 3.626 1.00 0.00 H new ATOM 0 HG SER A 46 6.638 8.031 5.040 1.00 0.00 H new ATOM 749 N ASP A 47 2.792 7.177 6.951 1.00 0.00 N ATOM 750 CA ASP A 47 1.952 8.107 7.679 1.00 0.00 C ATOM 751 C ASP A 47 2.831 9.186 8.276 1.00 0.00 C ATOM 752 O ASP A 47 4.007 8.949 8.532 1.00 0.00 O ATOM 753 CB ASP A 47 1.173 7.377 8.779 1.00 0.00 C ATOM 754 CG ASP A 47 0.306 8.308 9.599 1.00 0.00 C ATOM 755 OD1 ASP A 47 -0.367 9.176 9.003 1.00 0.00 O ATOM 756 OD2 ASP A 47 0.296 8.180 10.841 1.00 0.00 O ATOM 0 H ASP A 47 3.211 6.453 7.534 1.00 0.00 H new ATOM 0 HA ASP A 47 1.227 8.558 7.001 1.00 0.00 H new ATOM 0 HB2 ASP A 47 0.546 6.609 8.326 1.00 0.00 H new ATOM 0 HB3 ASP A 47 1.875 6.867 9.438 1.00 0.00 H new ATOM 761 N PHE A 48 2.282 10.361 8.498 1.00 0.00 N ATOM 762 CA PHE A 48 3.087 11.470 8.966 1.00 0.00 C ATOM 763 C PHE A 48 2.381 12.221 10.082 1.00 0.00 C ATOM 764 O PHE A 48 1.389 12.917 9.849 1.00 0.00 O ATOM 765 CB PHE A 48 3.401 12.421 7.812 1.00 0.00 C ATOM 766 CG PHE A 48 4.823 12.905 7.806 1.00 0.00 C ATOM 767 CD1 PHE A 48 5.230 13.927 8.650 1.00 0.00 C ATOM 768 CD2 PHE A 48 5.755 12.332 6.957 1.00 0.00 C ATOM 769 CE1 PHE A 48 6.542 14.367 8.643 1.00 0.00 C ATOM 770 CE2 PHE A 48 7.065 12.767 6.946 1.00 0.00 C ATOM 771 CZ PHE A 48 7.459 13.786 7.790 1.00 0.00 C ATOM 0 H PHE A 48 1.293 10.573 8.364 1.00 0.00 H new ATOM 0 HA PHE A 48 4.021 11.068 9.360 1.00 0.00 H new ATOM 0 HB2 PHE A 48 3.193 11.916 6.869 1.00 0.00 H new ATOM 0 HB3 PHE A 48 2.733 13.281 7.868 1.00 0.00 H new ATOM 0 HD1 PHE A 48 4.516 14.384 9.319 1.00 0.00 H new ATOM 0 HD2 PHE A 48 5.453 11.534 6.295 1.00 0.00 H new ATOM 0 HE1 PHE A 48 6.848 15.164 9.304 1.00 0.00 H new ATOM 0 HE2 PHE A 48 7.781 12.311 6.278 1.00 0.00 H new ATOM 0 HZ PHE A 48 8.483 14.128 7.783 1.00 0.00 H new ATOM 781 N ASP A 49 2.884 12.055 11.292 1.00 0.00 N ATOM 782 CA ASP A 49 2.404 12.819 12.428 1.00 0.00 C ATOM 783 C ASP A 49 3.244 14.078 12.541 1.00 0.00 C ATOM 784 O ASP A 49 4.461 14.036 12.365 1.00 0.00 O ATOM 785 CB ASP A 49 2.507 12.006 13.716 1.00 0.00 C ATOM 786 CG ASP A 49 1.790 12.654 14.883 1.00 0.00 C ATOM 787 OD1 ASP A 49 2.410 13.491 15.572 1.00 0.00 O ATOM 788 OD2 ASP A 49 0.611 12.313 15.130 1.00 0.00 O ATOM 0 H ASP A 49 3.629 11.394 11.513 1.00 0.00 H new ATOM 0 HA ASP A 49 1.354 13.072 12.279 1.00 0.00 H new ATOM 0 HB2 ASP A 49 2.091 11.013 13.547 1.00 0.00 H new ATOM 0 HB3 ASP A 49 3.558 11.872 13.972 1.00 0.00 H new ATOM 793 N ASN A 50 2.605 15.183 12.851 1.00 0.00 N ATOM 794 CA ASN A 50 3.271 16.481 12.830 1.00 0.00 C ATOM 795 C ASN A 50 4.012 16.739 14.131 1.00 0.00 C ATOM 796 O ASN A 50 4.659 17.775 14.293 1.00 0.00 O ATOM 797 CB ASN A 50 2.259 17.597 12.578 1.00 0.00 C ATOM 798 CG ASN A 50 1.604 17.500 11.215 1.00 0.00 C ATOM 799 OD1 ASN A 50 2.200 17.026 10.246 1.00 0.00 O ATOM 800 ND2 ASN A 50 0.366 17.948 11.132 1.00 0.00 N ATOM 0 H ASN A 50 1.622 15.217 13.122 1.00 0.00 H new ATOM 0 HA ASN A 50 3.998 16.469 12.018 1.00 0.00 H new ATOM 0 HB2 ASN A 50 1.489 17.564 13.349 1.00 0.00 H new ATOM 0 HB3 ASN A 50 2.759 18.561 12.668 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -0.132 17.909 10.243 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -0.093 18.333 11.957 1.00 0.00 H new ATOM 807 N ALA A 51 3.905 15.803 15.057 1.00 0.00 N ATOM 808 CA ALA A 51 4.590 15.913 16.331 1.00 0.00 C ATOM 809 C ALA A 51 5.543 14.747 16.535 1.00 0.00 C ATOM 810 O ALA A 51 6.725 14.937 16.829 1.00 0.00 O ATOM 811 CB ALA A 51 3.583 15.967 17.465 1.00 0.00 C ATOM 0 H ALA A 51 3.348 14.955 14.949 1.00 0.00 H new ATOM 0 HA ALA A 51 5.171 16.835 16.327 1.00 0.00 H new ATOM 0 HB1 ALA A 51 4.110 16.049 18.416 1.00 0.00 H new ATOM 0 HB2 ALA A 51 2.933 16.832 17.334 1.00 0.00 H new ATOM 0 HB3 ALA A 51 2.982 15.058 17.461 1.00 0.00 H new ATOM 817 N LYS A 52 5.027 13.542 16.357 1.00 0.00 N ATOM 818 CA LYS A 52 5.794 12.338 16.631 1.00 0.00 C ATOM 819 C LYS A 52 6.662 11.944 15.443 1.00 0.00 C ATOM 820 O LYS A 52 7.697 11.300 15.614 1.00 0.00 O ATOM 821 CB LYS A 52 4.857 11.195 17.016 1.00 0.00 C ATOM 822 CG LYS A 52 3.984 11.519 18.219 1.00 0.00 C ATOM 823 CD LYS A 52 4.824 11.932 19.417 1.00 0.00 C ATOM 824 CE LYS A 52 3.957 12.382 20.579 1.00 0.00 C ATOM 825 NZ LYS A 52 4.775 12.804 21.747 1.00 0.00 N ATOM 0 H LYS A 52 4.078 13.371 16.023 1.00 0.00 H new ATOM 0 HA LYS A 52 6.461 12.547 17.467 1.00 0.00 H new ATOM 0 HB2 LYS A 52 4.219 10.954 16.166 1.00 0.00 H new ATOM 0 HB3 LYS A 52 5.448 10.305 17.233 1.00 0.00 H new ATOM 0 HG2 LYS A 52 3.292 12.322 17.963 1.00 0.00 H new ATOM 0 HG3 LYS A 52 3.381 10.649 18.478 1.00 0.00 H new ATOM 0 HD2 LYS A 52 5.448 11.095 19.731 1.00 0.00 H new ATOM 0 HD3 LYS A 52 5.496 12.740 19.129 1.00 0.00 H new ATOM 0 HE2 LYS A 52 3.324 13.210 20.261 1.00 0.00 H new ATOM 0 HE3 LYS A 52 3.294 11.569 20.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 4.147 13.104 22.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 5.361 12.007 22.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 5.389 13.597 21.472 1.00 0.00 H new ATOM 839 N GLY A 53 6.252 12.342 14.250 1.00 0.00 N ATOM 840 CA GLY A 53 7.049 12.066 13.071 1.00 0.00 C ATOM 841 C GLY A 53 6.383 11.096 12.118 1.00 0.00 C ATOM 842 O GLY A 53 5.190 10.811 12.237 1.00 0.00 O ATOM 0 H GLY A 53 5.385 12.850 14.075 1.00 0.00 H new ATOM 0 HA2 GLY A 53 7.249 13.001 12.548 1.00 0.00 H new ATOM 0 HA3 GLY A 53 8.013 11.660 13.378 1.00 0.00 H new ATOM 846 N LEU A 54 7.157 10.591 11.169 1.00 0.00 N ATOM 847 CA LEU A 54 6.637 9.670 10.167 1.00 0.00 C ATOM 848 C LEU A 54 6.511 8.254 10.721 1.00 0.00 C ATOM 849 O LEU A 54 7.310 7.823 11.555 1.00 0.00 O ATOM 850 CB LEU A 54 7.508 9.669 8.900 1.00 0.00 C ATOM 851 CG LEU A 54 8.909 9.054 9.015 1.00 0.00 C ATOM 852 CD1 LEU A 54 9.513 8.902 7.634 1.00 0.00 C ATOM 853 CD2 LEU A 54 9.833 9.894 9.885 1.00 0.00 C ATOM 0 H LEU A 54 8.150 10.804 11.071 1.00 0.00 H new ATOM 0 HA LEU A 54 5.641 10.021 9.898 1.00 0.00 H new ATOM 0 HB2 LEU A 54 6.967 9.135 8.118 1.00 0.00 H new ATOM 0 HB3 LEU A 54 7.618 10.700 8.564 1.00 0.00 H new ATOM 0 HG LEU A 54 8.803 8.079 9.490 1.00 0.00 H new ATOM 0 HD11 LEU A 54 10.508 8.465 7.718 1.00 0.00 H new ATOM 0 HD12 LEU A 54 8.881 8.251 7.030 1.00 0.00 H new ATOM 0 HD13 LEU A 54 9.585 9.880 7.159 1.00 0.00 H new ATOM 0 HD21 LEU A 54 10.813 9.420 9.938 1.00 0.00 H new ATOM 0 HD22 LEU A 54 9.934 10.890 9.453 1.00 0.00 H new ATOM 0 HD23 LEU A 54 9.414 9.975 10.888 1.00 0.00 H new ATOM 865 N ASN A 55 5.493 7.549 10.247 1.00 0.00 N ATOM 866 CA ASN A 55 5.205 6.186 10.674 1.00 0.00 C ATOM 867 C ASN A 55 4.848 5.344 9.453 1.00 0.00 C ATOM 868 O ASN A 55 4.803 5.855 8.334 1.00 0.00 O ATOM 869 CB ASN A 55 4.034 6.163 11.667 1.00 0.00 C ATOM 870 CG ASN A 55 4.285 6.998 12.912 1.00 0.00 C ATOM 871 OD1 ASN A 55 4.846 6.522 13.898 1.00 0.00 O ATOM 872 ND2 ASN A 55 3.839 8.245 12.885 1.00 0.00 N ATOM 0 H ASN A 55 4.840 7.909 9.551 1.00 0.00 H new ATOM 0 HA ASN A 55 6.088 5.779 11.167 1.00 0.00 H new ATOM 0 HB2 ASN A 55 3.136 6.528 11.168 1.00 0.00 H new ATOM 0 HB3 ASN A 55 3.838 5.132 11.963 1.00 0.00 H new ATOM 0 HD21 ASN A 55 3.956 8.846 13.701 1.00 0.00 H new ATOM 0 HD22 ASN A 55 3.379 8.604 12.049 1.00 0.00 H new ATOM 879 N VAL A 56 4.592 4.060 9.660 1.00 0.00 N ATOM 880 CA VAL A 56 4.180 3.181 8.574 1.00 0.00 C ATOM 881 C VAL A 56 2.834 2.552 8.887 1.00 0.00 C ATOM 882 O VAL A 56 2.631 1.990 9.964 1.00 0.00 O ATOM 883 CB VAL A 56 5.214 2.068 8.294 1.00 0.00 C ATOM 884 CG1 VAL A 56 4.729 1.152 7.179 1.00 0.00 C ATOM 885 CG2 VAL A 56 6.554 2.673 7.930 1.00 0.00 C ATOM 0 H VAL A 56 4.662 3.604 10.569 1.00 0.00 H new ATOM 0 HA VAL A 56 4.104 3.798 7.679 1.00 0.00 H new ATOM 0 HB VAL A 56 5.332 1.474 9.201 1.00 0.00 H new ATOM 0 HG11 VAL A 56 5.472 0.375 6.997 1.00 0.00 H new ATOM 0 HG12 VAL A 56 3.786 0.691 7.471 1.00 0.00 H new ATOM 0 HG13 VAL A 56 4.582 1.733 6.269 1.00 0.00 H new ATOM 0 HG21 VAL A 56 7.272 1.876 7.736 1.00 0.00 H new ATOM 0 HG22 VAL A 56 6.445 3.289 7.037 1.00 0.00 H new ATOM 0 HG23 VAL A 56 6.911 3.290 8.755 1.00 0.00 H new ATOM 895 N LYS A 57 1.919 2.661 7.946 1.00 0.00 N ATOM 896 CA LYS A 57 0.580 2.135 8.111 1.00 0.00 C ATOM 897 C LYS A 57 0.378 0.949 7.172 1.00 0.00 C ATOM 898 O LYS A 57 0.071 1.126 5.994 1.00 0.00 O ATOM 899 CB LYS A 57 -0.430 3.245 7.810 1.00 0.00 C ATOM 900 CG LYS A 57 -1.697 3.189 8.641 1.00 0.00 C ATOM 901 CD LYS A 57 -2.577 4.388 8.339 1.00 0.00 C ATOM 902 CE LYS A 57 -3.796 4.444 9.238 1.00 0.00 C ATOM 903 NZ LYS A 57 -3.441 4.669 10.663 1.00 0.00 N ATOM 0 H LYS A 57 2.082 3.116 7.048 1.00 0.00 H new ATOM 0 HA LYS A 57 0.434 1.791 9.135 1.00 0.00 H new ATOM 0 HB2 LYS A 57 0.052 4.210 7.971 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -0.701 3.196 6.755 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -2.240 2.268 8.428 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -1.444 3.172 9.701 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -1.996 5.302 8.460 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -2.897 4.349 7.298 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -4.456 5.243 8.901 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -4.353 3.511 9.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -4.299 4.901 11.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -3.009 3.807 11.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -2.765 5.456 10.732 1.00 0.00 H new ATOM 917 N HIS A 58 0.585 -0.255 7.691 1.00 0.00 N ATOM 918 CA HIS A 58 0.462 -1.469 6.888 1.00 0.00 C ATOM 919 C HIS A 58 -0.998 -1.841 6.660 1.00 0.00 C ATOM 920 O HIS A 58 -1.600 -2.544 7.473 1.00 0.00 O ATOM 921 CB HIS A 58 1.179 -2.651 7.559 1.00 0.00 C ATOM 922 CG HIS A 58 2.674 -2.601 7.485 1.00 0.00 C ATOM 923 ND1 HIS A 58 3.371 -3.380 6.592 1.00 0.00 N ATOM 924 CD2 HIS A 58 3.551 -1.887 8.228 1.00 0.00 C ATOM 925 CE1 HIS A 58 4.649 -3.123 6.811 1.00 0.00 C ATOM 926 NE2 HIS A 58 4.807 -2.224 7.792 1.00 0.00 N ATOM 0 H HIS A 58 0.839 -0.419 8.665 1.00 0.00 H new ATOM 0 HA HIS A 58 0.930 -1.260 5.926 1.00 0.00 H new ATOM 0 HB2 HIS A 58 0.882 -2.691 8.607 1.00 0.00 H new ATOM 0 HB3 HIS A 58 0.837 -3.576 7.095 1.00 0.00 H new ATOM 0 HD1 HIS A 58 2.982 -4.023 5.903 1.00 0.00 H new ATOM 0 HD2 HIS A 58 3.309 -1.186 9.013 1.00 0.00 H new ATOM 0 HE1 HIS A 58 5.463 -3.580 6.268 1.00 0.00 H new ATOM 934 N TYR A 59 -1.570 -1.358 5.567 1.00 0.00 N ATOM 935 CA TYR A 59 -2.887 -1.807 5.147 1.00 0.00 C ATOM 936 C TYR A 59 -2.757 -3.166 4.473 1.00 0.00 C ATOM 937 O TYR A 59 -1.836 -3.385 3.691 1.00 0.00 O ATOM 938 CB TYR A 59 -3.528 -0.809 4.175 1.00 0.00 C ATOM 939 CG TYR A 59 -4.036 0.465 4.815 1.00 0.00 C ATOM 940 CD1 TYR A 59 -5.324 0.534 5.334 1.00 0.00 C ATOM 941 CD2 TYR A 59 -3.242 1.602 4.880 1.00 0.00 C ATOM 942 CE1 TYR A 59 -5.806 1.698 5.899 1.00 0.00 C ATOM 943 CE2 TYR A 59 -3.720 2.771 5.440 1.00 0.00 C ATOM 944 CZ TYR A 59 -5.001 2.814 5.950 1.00 0.00 C ATOM 945 OH TYR A 59 -5.483 3.983 6.496 1.00 0.00 O ATOM 0 H TYR A 59 -1.145 -0.659 4.958 1.00 0.00 H new ATOM 0 HA TYR A 59 -3.527 -1.882 6.026 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -2.797 -0.548 3.410 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -4.358 -1.300 3.668 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -5.959 -0.339 5.294 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -2.236 1.572 4.487 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -6.809 1.733 6.299 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -3.092 3.649 5.478 1.00 0.00 H new ATOM 0 HH TYR A 59 -6.144 3.773 7.188 1.00 0.00 H new ATOM 955 N LYS A 60 -3.655 -4.082 4.779 1.00 0.00 N ATOM 956 CA LYS A 60 -3.593 -5.409 4.187 1.00 0.00 C ATOM 957 C LYS A 60 -4.656 -5.576 3.112 1.00 0.00 C ATOM 958 O LYS A 60 -5.816 -5.206 3.300 1.00 0.00 O ATOM 959 CB LYS A 60 -3.738 -6.496 5.257 1.00 0.00 C ATOM 960 CG LYS A 60 -2.497 -6.666 6.120 1.00 0.00 C ATOM 961 CD LYS A 60 -2.655 -7.820 7.097 1.00 0.00 C ATOM 962 CE LYS A 60 -1.361 -8.107 7.848 1.00 0.00 C ATOM 963 NZ LYS A 60 -0.253 -8.502 6.935 1.00 0.00 N ATOM 0 H LYS A 60 -4.429 -3.937 5.427 1.00 0.00 H new ATOM 0 HA LYS A 60 -2.614 -5.518 3.720 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -4.586 -6.254 5.897 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -3.966 -7.445 4.771 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -1.630 -6.843 5.483 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -2.306 -5.745 6.670 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -3.445 -7.586 7.811 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -2.967 -8.714 6.557 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -1.066 -7.221 8.411 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -1.533 -8.903 8.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 0.496 -8.973 7.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -0.616 -9.154 6.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 0.136 -7.655 6.474 1.00 0.00 H new ATOM 977 N ILE A 61 -4.236 -6.119 1.981 1.00 0.00 N ATOM 978 CA ILE A 61 -5.122 -6.384 0.863 1.00 0.00 C ATOM 979 C ILE A 61 -5.419 -7.873 0.806 1.00 0.00 C ATOM 980 O ILE A 61 -4.633 -8.655 0.267 1.00 0.00 O ATOM 981 CB ILE A 61 -4.486 -5.938 -0.474 1.00 0.00 C ATOM 982 CG1 ILE A 61 -4.154 -4.445 -0.437 1.00 0.00 C ATOM 983 CG2 ILE A 61 -5.409 -6.257 -1.642 1.00 0.00 C ATOM 984 CD1 ILE A 61 -3.484 -3.935 -1.694 1.00 0.00 C ATOM 0 H ILE A 61 -3.267 -6.389 1.813 1.00 0.00 H new ATOM 0 HA ILE A 61 -6.042 -5.818 1.009 1.00 0.00 H new ATOM 0 HB ILE A 61 -3.558 -6.492 -0.615 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -5.073 -3.882 -0.273 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -3.503 -4.248 0.415 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -4.942 -5.935 -2.573 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.590 -7.331 -1.680 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -6.356 -5.734 -1.511 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -3.281 -2.869 -1.591 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.547 -4.470 -1.850 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -4.141 -4.098 -2.548 1.00 0.00 H new ATOM 996 N ARG A 62 -6.540 -8.271 1.378 1.00 0.00 N ATOM 997 CA ARG A 62 -6.874 -9.676 1.450 1.00 0.00 C ATOM 998 C ARG A 62 -7.632 -10.106 0.203 1.00 0.00 C ATOM 999 O ARG A 62 -8.530 -9.400 -0.271 1.00 0.00 O ATOM 1000 CB ARG A 62 -7.687 -9.977 2.711 1.00 0.00 C ATOM 1001 CG ARG A 62 -7.861 -11.463 2.960 1.00 0.00 C ATOM 1002 CD ARG A 62 -8.363 -11.750 4.366 1.00 0.00 C ATOM 1003 NE ARG A 62 -9.739 -11.299 4.579 1.00 0.00 N ATOM 1004 CZ ARG A 62 -10.550 -11.816 5.501 1.00 0.00 C ATOM 1005 NH1 ARG A 62 -10.120 -12.778 6.310 1.00 0.00 N ATOM 1006 NH2 ARG A 62 -11.793 -11.373 5.614 1.00 0.00 N ATOM 0 H ARG A 62 -7.228 -7.645 1.796 1.00 0.00 H new ATOM 0 HA ARG A 62 -5.947 -10.247 1.503 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -7.194 -9.525 3.572 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -8.668 -9.511 2.624 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -8.563 -11.872 2.234 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -6.909 -11.971 2.804 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -8.303 -12.821 4.557 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -7.709 -11.260 5.088 1.00 0.00 H new ATOM 0 HE ARG A 62 -10.097 -10.548 3.989 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -9.164 -13.125 6.227 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -10.746 -13.170 7.014 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -12.130 -10.636 4.995 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -12.413 -11.769 6.320 1.00 0.00 H new ATOM 1020 N LYS A 63 -7.226 -11.246 -0.337 1.00 0.00 N ATOM 1021 CA LYS A 63 -7.874 -11.828 -1.496 1.00 0.00 C ATOM 1022 C LYS A 63 -9.108 -12.612 -1.086 1.00 0.00 C ATOM 1023 O LYS A 63 -9.063 -13.461 -0.190 1.00 0.00 O ATOM 1024 CB LYS A 63 -6.891 -12.731 -2.250 1.00 0.00 C ATOM 1025 CG LYS A 63 -7.551 -13.825 -3.078 1.00 0.00 C ATOM 1026 CD LYS A 63 -6.521 -14.677 -3.803 1.00 0.00 C ATOM 1027 CE LYS A 63 -5.972 -13.972 -5.037 1.00 0.00 C ATOM 1028 NZ LYS A 63 -6.994 -13.878 -6.114 1.00 0.00 N ATOM 0 H LYS A 63 -6.439 -11.790 0.017 1.00 0.00 H new ATOM 0 HA LYS A 63 -8.190 -11.021 -2.158 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.280 -12.113 -2.908 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -6.216 -13.194 -1.530 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -8.156 -14.458 -2.429 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -8.227 -13.374 -3.804 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.701 -14.913 -3.124 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -6.974 -15.624 -4.097 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -5.636 -12.971 -4.766 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -5.101 -14.512 -5.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -6.688 -14.441 -6.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -7.903 -14.242 -5.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -7.107 -12.884 -6.400 1.00 0.00 H new ATOM 1042 N LEU A 64 -10.209 -12.295 -1.728 1.00 0.00 N ATOM 1043 CA LEU A 64 -11.440 -13.020 -1.548 1.00 0.00 C ATOM 1044 C LEU A 64 -11.615 -14.000 -2.693 1.00 0.00 C ATOM 1045 O LEU A 64 -11.743 -13.595 -3.848 1.00 0.00 O ATOM 1046 CB LEU A 64 -12.621 -12.053 -1.514 1.00 0.00 C ATOM 1047 CG LEU A 64 -12.639 -11.077 -0.339 1.00 0.00 C ATOM 1048 CD1 LEU A 64 -13.860 -10.177 -0.415 1.00 0.00 C ATOM 1049 CD2 LEU A 64 -12.617 -11.831 0.980 1.00 0.00 C ATOM 0 H LEU A 64 -10.273 -11.523 -2.392 1.00 0.00 H new ATOM 0 HA LEU A 64 -11.403 -13.561 -0.603 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -12.625 -11.479 -2.441 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -13.543 -12.634 -1.495 1.00 0.00 H new ATOM 0 HG LEU A 64 -11.746 -10.454 -0.395 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -13.857 -9.488 0.430 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -13.837 -9.610 -1.346 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -14.763 -10.786 -0.383 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -12.630 -11.120 1.806 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -13.492 -12.478 1.044 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -11.713 -12.437 1.038 1.00 0.00 H new ATOM 1061 N ASP A 65 -11.599 -15.287 -2.377 1.00 0.00 N ATOM 1062 CA ASP A 65 -11.811 -16.322 -3.385 1.00 0.00 C ATOM 1063 C ASP A 65 -13.197 -16.181 -3.995 1.00 0.00 C ATOM 1064 O ASP A 65 -13.439 -16.582 -5.133 1.00 0.00 O ATOM 1065 CB ASP A 65 -11.659 -17.715 -2.771 1.00 0.00 C ATOM 1066 CG ASP A 65 -10.234 -18.036 -2.367 1.00 0.00 C ATOM 1067 OD1 ASP A 65 -9.795 -17.573 -1.293 1.00 0.00 O ATOM 1068 OD2 ASP A 65 -9.553 -18.776 -3.107 1.00 0.00 O ATOM 0 H ASP A 65 -11.442 -15.641 -1.434 1.00 0.00 H new ATOM 0 HA ASP A 65 -11.059 -16.199 -4.164 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -12.304 -17.792 -1.896 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -12.004 -18.461 -3.488 1.00 0.00 H new ATOM 1073 N SER A 66 -14.101 -15.594 -3.224 1.00 0.00 N ATOM 1074 CA SER A 66 -15.475 -15.406 -3.653 1.00 0.00 C ATOM 1075 C SER A 66 -15.706 -13.982 -4.166 1.00 0.00 C ATOM 1076 O SER A 66 -16.845 -13.569 -4.375 1.00 0.00 O ATOM 1077 CB SER A 66 -16.414 -15.693 -2.484 1.00 0.00 C ATOM 1078 OG SER A 66 -16.026 -16.878 -1.800 1.00 0.00 O ATOM 0 H SER A 66 -13.902 -15.237 -2.289 1.00 0.00 H new ATOM 0 HA SER A 66 -15.679 -16.096 -4.472 1.00 0.00 H new ATOM 0 HB2 SER A 66 -16.408 -14.851 -1.792 1.00 0.00 H new ATOM 0 HB3 SER A 66 -17.435 -15.798 -2.850 1.00 0.00 H new ATOM 0 HG SER A 66 -16.640 -17.041 -1.054 1.00 0.00 H new ATOM 1084 N GLY A 67 -14.627 -13.234 -4.367 1.00 0.00 N ATOM 1085 CA GLY A 67 -14.764 -11.860 -4.812 1.00 0.00 C ATOM 1086 C GLY A 67 -13.511 -11.326 -5.475 1.00 0.00 C ATOM 1087 O GLY A 67 -13.230 -11.642 -6.632 1.00 0.00 O ATOM 0 H GLY A 67 -13.667 -13.551 -4.231 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -15.596 -11.792 -5.512 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -15.013 -11.230 -3.958 1.00 0.00 H new ATOM 1091 N GLY A 68 -12.755 -10.523 -4.742 1.00 0.00 N ATOM 1092 CA GLY A 68 -11.569 -9.900 -5.297 1.00 0.00 C ATOM 1093 C GLY A 68 -10.630 -9.400 -4.224 1.00 0.00 C ATOM 1094 O GLY A 68 -10.394 -10.089 -3.235 1.00 0.00 O ATOM 0 H GLY A 68 -12.942 -10.290 -3.767 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -11.046 -10.618 -5.929 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -11.863 -9.068 -5.936 1.00 0.00 H new ATOM 1098 N PHE A 69 -10.103 -8.200 -4.409 1.00 0.00 N ATOM 1099 CA PHE A 69 -9.156 -7.628 -3.465 1.00 0.00 C ATOM 1100 C PHE A 69 -9.754 -6.401 -2.791 1.00 0.00 C ATOM 1101 O PHE A 69 -10.412 -5.586 -3.444 1.00 0.00 O ATOM 1102 CB PHE A 69 -7.863 -7.229 -4.182 1.00 0.00 C ATOM 1103 CG PHE A 69 -7.208 -8.349 -4.935 1.00 0.00 C ATOM 1104 CD1 PHE A 69 -6.460 -9.303 -4.268 1.00 0.00 C ATOM 1105 CD2 PHE A 69 -7.332 -8.441 -6.313 1.00 0.00 C ATOM 1106 CE1 PHE A 69 -5.847 -10.329 -4.960 1.00 0.00 C ATOM 1107 CE2 PHE A 69 -6.725 -9.464 -7.010 1.00 0.00 C ATOM 1108 CZ PHE A 69 -5.980 -10.411 -6.333 1.00 0.00 C ATOM 0 H PHE A 69 -10.316 -7.602 -5.207 1.00 0.00 H new ATOM 0 HA PHE A 69 -8.933 -8.382 -2.710 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -8.081 -6.418 -4.876 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -7.159 -6.839 -3.447 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -6.354 -9.245 -3.195 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -7.911 -7.702 -6.847 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -5.264 -11.067 -4.428 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -6.831 -9.525 -8.083 1.00 0.00 H new ATOM 0 HZ PHE A 69 -5.503 -11.213 -6.876 1.00 0.00 H new ATOM 1118 N TYR A 70 -9.535 -6.265 -1.493 1.00 0.00 N ATOM 1119 CA TYR A 70 -10.026 -5.101 -0.773 1.00 0.00 C ATOM 1120 C TYR A 70 -9.091 -4.733 0.368 1.00 0.00 C ATOM 1121 O TYR A 70 -8.495 -5.603 1.010 1.00 0.00 O ATOM 1122 CB TYR A 70 -11.443 -5.350 -0.237 1.00 0.00 C ATOM 1123 CG TYR A 70 -11.514 -6.330 0.915 1.00 0.00 C ATOM 1124 CD1 TYR A 70 -11.306 -7.689 0.718 1.00 0.00 C ATOM 1125 CD2 TYR A 70 -11.801 -5.891 2.201 1.00 0.00 C ATOM 1126 CE1 TYR A 70 -11.379 -8.581 1.769 1.00 0.00 C ATOM 1127 CE2 TYR A 70 -11.873 -6.774 3.257 1.00 0.00 C ATOM 1128 CZ TYR A 70 -11.663 -8.119 3.036 1.00 0.00 C ATOM 1129 OH TYR A 70 -11.743 -9.004 4.089 1.00 0.00 O ATOM 0 H TYR A 70 -9.026 -6.939 -0.921 1.00 0.00 H new ATOM 0 HA TYR A 70 -10.060 -4.266 -1.473 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -11.869 -4.399 0.084 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -12.066 -5.720 -1.051 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -11.083 -8.054 -0.274 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -11.971 -4.839 2.377 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -11.215 -9.635 1.599 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -12.093 -6.415 4.252 1.00 0.00 H new ATOM 0 HH TYR A 70 -11.950 -8.515 4.913 1.00 0.00 H new ATOM 1139 N ILE A 71 -8.946 -3.434 0.589 1.00 0.00 N ATOM 1140 CA ILE A 71 -8.174 -2.922 1.710 1.00 0.00 C ATOM 1141 C ILE A 71 -9.113 -2.619 2.865 1.00 0.00 C ATOM 1142 O ILE A 71 -8.786 -2.824 4.033 1.00 0.00 O ATOM 1143 CB ILE A 71 -7.411 -1.631 1.336 1.00 0.00 C ATOM 1144 CG1 ILE A 71 -6.529 -1.860 0.105 1.00 0.00 C ATOM 1145 CG2 ILE A 71 -6.569 -1.151 2.510 1.00 0.00 C ATOM 1146 CD1 ILE A 71 -5.792 -0.616 -0.346 1.00 0.00 C ATOM 0 H ILE A 71 -9.358 -2.710 -0.000 1.00 0.00 H new ATOM 0 HA ILE A 71 -7.445 -3.682 1.991 1.00 0.00 H new ATOM 0 HB ILE A 71 -8.143 -0.860 1.095 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -5.804 -2.643 0.327 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -7.149 -2.223 -0.715 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -6.038 -0.241 2.229 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -7.217 -0.945 3.362 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -5.848 -1.923 2.780 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -5.186 -0.849 -1.222 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -6.512 0.162 -0.600 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -5.146 -0.264 0.458 1.00 0.00 H new ATOM 1158 N THR A 72 -10.289 -2.131 2.511 1.00 0.00 N ATOM 1159 CA THR A 72 -11.313 -1.779 3.470 1.00 0.00 C ATOM 1160 C THR A 72 -12.643 -2.375 3.030 1.00 0.00 C ATOM 1161 O THR A 72 -12.895 -2.530 1.835 1.00 0.00 O ATOM 1162 CB THR A 72 -11.414 -0.240 3.632 1.00 0.00 C ATOM 1163 OG1 THR A 72 -12.774 0.184 3.813 1.00 0.00 O ATOM 1164 CG2 THR A 72 -10.811 0.473 2.434 1.00 0.00 C ATOM 0 H THR A 72 -10.559 -1.968 1.541 1.00 0.00 H new ATOM 0 HA THR A 72 -11.048 -2.190 4.444 1.00 0.00 H new ATOM 0 HB THR A 72 -10.849 0.025 4.526 1.00 0.00 H new ATOM 0 HG1 THR A 72 -13.105 0.585 2.982 1.00 0.00 H new ATOM 0 HG21 THR A 72 -10.894 1.551 2.572 1.00 0.00 H new ATOM 0 HG22 THR A 72 -9.760 0.200 2.339 1.00 0.00 H new ATOM 0 HG23 THR A 72 -11.345 0.181 1.530 1.00 0.00 H new ATOM 1172 N SER A 73 -13.480 -2.727 3.990 1.00 0.00 N ATOM 1173 CA SER A 73 -14.708 -3.456 3.712 1.00 0.00 C ATOM 1174 C SER A 73 -15.828 -2.553 3.182 1.00 0.00 C ATOM 1175 O SER A 73 -16.970 -2.630 3.644 1.00 0.00 O ATOM 1176 CB SER A 73 -15.152 -4.190 4.980 1.00 0.00 C ATOM 1177 OG SER A 73 -15.140 -3.322 6.102 1.00 0.00 O ATOM 0 H SER A 73 -13.331 -2.518 4.977 1.00 0.00 H new ATOM 0 HA SER A 73 -14.500 -4.175 2.919 1.00 0.00 H new ATOM 0 HB2 SER A 73 -16.155 -4.593 4.839 1.00 0.00 H new ATOM 0 HB3 SER A 73 -14.491 -5.037 5.164 1.00 0.00 H new ATOM 0 HG SER A 73 -15.429 -3.814 6.899 1.00 0.00 H new ATOM 1183 N ARG A 74 -15.510 -1.704 2.214 1.00 0.00 N ATOM 1184 CA ARG A 74 -16.515 -0.882 1.559 1.00 0.00 C ATOM 1185 C ARG A 74 -16.461 -1.089 0.049 1.00 0.00 C ATOM 1186 O ARG A 74 -17.423 -1.573 -0.557 1.00 0.00 O ATOM 1187 CB ARG A 74 -16.316 0.601 1.896 1.00 0.00 C ATOM 1188 CG ARG A 74 -16.276 0.904 3.386 1.00 0.00 C ATOM 1189 CD ARG A 74 -17.533 0.430 4.103 1.00 0.00 C ATOM 1190 NE ARG A 74 -18.753 1.057 3.595 1.00 0.00 N ATOM 1191 CZ ARG A 74 -19.972 0.547 3.768 1.00 0.00 C ATOM 1192 NH1 ARG A 74 -20.129 -0.610 4.397 1.00 0.00 N ATOM 1193 NH2 ARG A 74 -21.033 1.198 3.316 1.00 0.00 N ATOM 0 H ARG A 74 -14.561 -1.567 1.865 1.00 0.00 H new ATOM 0 HA ARG A 74 -17.495 -1.186 1.925 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -15.386 0.943 1.442 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -17.123 1.176 1.442 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -15.404 0.424 3.829 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -16.158 1.978 3.534 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -17.617 -0.652 4.000 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -17.439 0.642 5.168 1.00 0.00 H new ATOM 0 HE ARG A 74 -18.666 1.933 3.080 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -19.315 -1.113 4.750 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -21.064 -0.997 4.527 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -20.917 2.090 2.835 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -21.966 0.807 3.449 1.00 0.00 H new ATOM 1207 N THR A 75 -15.335 -0.737 -0.555 1.00 0.00 N ATOM 1208 CA THR A 75 -15.166 -0.890 -1.990 1.00 0.00 C ATOM 1209 C THR A 75 -14.183 -2.018 -2.299 1.00 0.00 C ATOM 1210 O THR A 75 -13.124 -2.113 -1.683 1.00 0.00 O ATOM 1211 CB THR A 75 -14.677 0.426 -2.619 1.00 0.00 C ATOM 1212 OG1 THR A 75 -15.543 1.500 -2.223 1.00 0.00 O ATOM 1213 CG2 THR A 75 -14.655 0.330 -4.134 1.00 0.00 C ATOM 0 H THR A 75 -14.527 -0.344 -0.073 1.00 0.00 H new ATOM 0 HA THR A 75 -16.134 -1.145 -2.421 1.00 0.00 H new ATOM 0 HB THR A 75 -13.663 0.617 -2.269 1.00 0.00 H new ATOM 0 HG1 THR A 75 -15.319 1.781 -1.311 1.00 0.00 H new ATOM 0 HG21 THR A 75 -14.306 1.274 -4.553 1.00 0.00 H new ATOM 0 HG22 THR A 75 -13.984 -0.473 -4.438 1.00 0.00 H new ATOM 0 HG23 THR A 75 -15.660 0.120 -4.500 1.00 0.00 H new ATOM 1221 N GLN A 76 -14.546 -2.889 -3.235 1.00 0.00 N ATOM 1222 CA GLN A 76 -13.702 -4.025 -3.580 1.00 0.00 C ATOM 1223 C GLN A 76 -13.488 -4.093 -5.090 1.00 0.00 C ATOM 1224 O GLN A 76 -14.438 -3.945 -5.866 1.00 0.00 O ATOM 1225 CB GLN A 76 -14.338 -5.327 -3.085 1.00 0.00 C ATOM 1226 CG GLN A 76 -14.746 -5.290 -1.620 1.00 0.00 C ATOM 1227 CD GLN A 76 -15.350 -6.595 -1.140 1.00 0.00 C ATOM 1228 OE1 GLN A 76 -15.942 -7.343 -1.916 1.00 0.00 O ATOM 1229 NE2 GLN A 76 -15.215 -6.868 0.145 1.00 0.00 N ATOM 0 H GLN A 76 -15.415 -2.830 -3.766 1.00 0.00 H new ATOM 0 HA GLN A 76 -12.735 -3.895 -3.094 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -15.216 -5.546 -3.692 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -13.634 -6.145 -3.236 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -13.873 -5.055 -1.011 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -15.466 -4.486 -1.469 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -14.716 -6.220 0.754 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -15.610 -7.727 0.528 1.00 0.00 H new ATOM 1238 N PHE A 77 -12.249 -4.325 -5.506 1.00 0.00 N ATOM 1239 CA PHE A 77 -11.915 -4.403 -6.925 1.00 0.00 C ATOM 1240 C PHE A 77 -11.308 -5.755 -7.265 1.00 0.00 C ATOM 1241 O PHE A 77 -10.744 -6.429 -6.403 1.00 0.00 O ATOM 1242 CB PHE A 77 -10.938 -3.292 -7.309 1.00 0.00 C ATOM 1243 CG PHE A 77 -11.553 -1.924 -7.315 1.00 0.00 C ATOM 1244 CD1 PHE A 77 -12.344 -1.515 -8.377 1.00 0.00 C ATOM 1245 CD2 PHE A 77 -11.339 -1.046 -6.265 1.00 0.00 C ATOM 1246 CE1 PHE A 77 -12.912 -0.257 -8.392 1.00 0.00 C ATOM 1247 CE2 PHE A 77 -11.903 0.212 -6.275 1.00 0.00 C ATOM 1248 CZ PHE A 77 -12.690 0.609 -7.339 1.00 0.00 C ATOM 0 H PHE A 77 -11.456 -4.463 -4.880 1.00 0.00 H new ATOM 0 HA PHE A 77 -12.838 -4.279 -7.492 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -10.100 -3.301 -6.612 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -10.533 -3.503 -8.299 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -12.518 -2.189 -9.203 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -10.724 -1.350 -5.431 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -13.528 0.049 -9.224 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -11.730 0.888 -5.451 1.00 0.00 H new ATOM 0 HZ PHE A 77 -13.131 1.595 -7.347 1.00 0.00 H new ATOM 1258 N SER A 78 -11.426 -6.150 -8.526 1.00 0.00 N ATOM 1259 CA SER A 78 -10.899 -7.426 -8.979 1.00 0.00 C ATOM 1260 C SER A 78 -9.487 -7.265 -9.539 1.00 0.00 C ATOM 1261 O SER A 78 -8.814 -8.251 -9.852 1.00 0.00 O ATOM 1262 CB SER A 78 -11.830 -8.028 -10.030 1.00 0.00 C ATOM 1263 OG SER A 78 -12.195 -7.063 -11.003 1.00 0.00 O ATOM 0 H SER A 78 -11.884 -5.601 -9.254 1.00 0.00 H new ATOM 0 HA SER A 78 -10.844 -8.103 -8.126 1.00 0.00 H new ATOM 0 HB2 SER A 78 -11.338 -8.871 -10.516 1.00 0.00 H new ATOM 0 HB3 SER A 78 -12.726 -8.418 -9.546 1.00 0.00 H new ATOM 0 HG SER A 78 -12.789 -7.474 -11.665 1.00 0.00 H new ATOM 1269 N SER A 79 -9.045 -6.022 -9.672 1.00 0.00 N ATOM 1270 CA SER A 79 -7.703 -5.737 -10.140 1.00 0.00 C ATOM 1271 C SER A 79 -7.040 -4.704 -9.236 1.00 0.00 C ATOM 1272 O SER A 79 -7.677 -3.743 -8.795 1.00 0.00 O ATOM 1273 CB SER A 79 -7.751 -5.233 -11.583 1.00 0.00 C ATOM 1274 OG SER A 79 -8.657 -4.155 -11.717 1.00 0.00 O ATOM 0 H SER A 79 -9.602 -5.194 -9.460 1.00 0.00 H new ATOM 0 HA SER A 79 -7.113 -6.653 -10.109 1.00 0.00 H new ATOM 0 HB2 SER A 79 -6.756 -4.916 -11.894 1.00 0.00 H new ATOM 0 HB3 SER A 79 -8.048 -6.046 -12.246 1.00 0.00 H new ATOM 0 HG SER A 79 -8.912 -4.057 -12.658 1.00 0.00 H new ATOM 1280 N LEU A 80 -5.762 -4.920 -8.952 1.00 0.00 N ATOM 1281 CA LEU A 80 -5.008 -4.037 -8.077 1.00 0.00 C ATOM 1282 C LEU A 80 -4.794 -2.677 -8.730 1.00 0.00 C ATOM 1283 O LEU A 80 -4.636 -1.676 -8.038 1.00 0.00 O ATOM 1284 CB LEU A 80 -3.657 -4.661 -7.717 1.00 0.00 C ATOM 1285 CG LEU A 80 -3.724 -5.943 -6.885 1.00 0.00 C ATOM 1286 CD1 LEU A 80 -2.323 -6.487 -6.635 1.00 0.00 C ATOM 1287 CD2 LEU A 80 -4.441 -5.685 -5.568 1.00 0.00 C ATOM 0 H LEU A 80 -5.224 -5.705 -9.319 1.00 0.00 H new ATOM 0 HA LEU A 80 -5.587 -3.897 -7.164 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -3.118 -4.875 -8.640 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.070 -3.923 -7.169 1.00 0.00 H new ATOM 0 HG LEU A 80 -4.289 -6.690 -7.443 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.387 -7.399 -6.042 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.843 -6.707 -7.588 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.735 -5.744 -6.096 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.480 -6.607 -4.988 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.902 -4.924 -5.003 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -5.455 -5.339 -5.768 1.00 0.00 H new ATOM 1299 N GLN A 81 -4.790 -2.649 -10.059 1.00 0.00 N ATOM 1300 CA GLN A 81 -4.649 -1.399 -10.800 1.00 0.00 C ATOM 1301 C GLN A 81 -5.822 -0.467 -10.512 1.00 0.00 C ATOM 1302 O GLN A 81 -5.635 0.716 -10.235 1.00 0.00 O ATOM 1303 CB GLN A 81 -4.562 -1.670 -12.303 1.00 0.00 C ATOM 1304 CG GLN A 81 -4.425 -0.408 -13.147 1.00 0.00 C ATOM 1305 CD GLN A 81 -3.130 0.343 -12.890 1.00 0.00 C ATOM 1306 OE1 GLN A 81 -2.108 -0.254 -12.553 1.00 0.00 O ATOM 1307 NE2 GLN A 81 -3.164 1.657 -13.037 1.00 0.00 N ATOM 0 H GLN A 81 -4.883 -3.478 -10.646 1.00 0.00 H new ATOM 0 HA GLN A 81 -3.727 -0.917 -10.474 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -3.709 -2.320 -12.497 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -5.454 -2.212 -12.618 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -4.479 -0.676 -14.202 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -5.268 0.252 -12.942 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -4.030 2.117 -13.318 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -2.324 2.211 -12.870 1.00 0.00 H new ATOM 1316 N GLN A 82 -7.031 -1.011 -10.577 1.00 0.00 N ATOM 1317 CA GLN A 82 -8.233 -0.227 -10.315 1.00 0.00 C ATOM 1318 C GLN A 82 -8.335 0.106 -8.832 1.00 0.00 C ATOM 1319 O GLN A 82 -8.880 1.142 -8.451 1.00 0.00 O ATOM 1320 CB GLN A 82 -9.477 -0.987 -10.785 1.00 0.00 C ATOM 1321 CG GLN A 82 -9.527 -1.197 -12.290 1.00 0.00 C ATOM 1322 CD GLN A 82 -9.470 0.106 -13.071 1.00 0.00 C ATOM 1323 OE1 GLN A 82 -10.497 0.717 -13.370 1.00 0.00 O ATOM 1324 NE2 GLN A 82 -8.267 0.535 -13.415 1.00 0.00 N ATOM 0 H GLN A 82 -7.206 -1.989 -10.808 1.00 0.00 H new ATOM 0 HA GLN A 82 -8.170 0.707 -10.873 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -9.509 -1.957 -10.290 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -10.367 -0.440 -10.473 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -8.694 -1.832 -12.591 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -10.443 -1.729 -12.547 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -7.440 0.001 -13.149 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -8.167 1.400 -13.946 1.00 0.00 H new ATOM 1333 N LEU A 83 -7.794 -0.785 -8.009 1.00 0.00 N ATOM 1334 CA LEU A 83 -7.732 -0.583 -6.569 1.00 0.00 C ATOM 1335 C LEU A 83 -6.996 0.724 -6.253 1.00 0.00 C ATOM 1336 O LEU A 83 -7.581 1.658 -5.702 1.00 0.00 O ATOM 1337 CB LEU A 83 -7.038 -1.803 -5.928 1.00 0.00 C ATOM 1338 CG LEU A 83 -6.881 -1.810 -4.397 1.00 0.00 C ATOM 1339 CD1 LEU A 83 -5.717 -0.930 -3.960 1.00 0.00 C ATOM 1340 CD2 LEU A 83 -8.173 -1.374 -3.717 1.00 0.00 C ATOM 0 H LEU A 83 -7.387 -1.666 -8.322 1.00 0.00 H new ATOM 0 HA LEU A 83 -8.736 -0.496 -6.153 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -7.596 -2.695 -6.213 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -6.045 -1.894 -6.368 1.00 0.00 H new ATOM 0 HG LEU A 83 -6.662 -2.832 -4.089 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -5.630 -0.954 -2.874 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -4.794 -1.300 -4.406 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -5.893 0.095 -4.287 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -8.037 -1.387 -2.636 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -8.431 -0.365 -4.038 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -8.977 -2.058 -3.990 1.00 0.00 H new ATOM 1352 N VAL A 84 -5.727 0.799 -6.638 1.00 0.00 N ATOM 1353 CA VAL A 84 -4.904 1.967 -6.338 1.00 0.00 C ATOM 1354 C VAL A 84 -5.420 3.221 -7.030 1.00 0.00 C ATOM 1355 O VAL A 84 -5.486 4.291 -6.423 1.00 0.00 O ATOM 1356 CB VAL A 84 -3.431 1.746 -6.736 1.00 0.00 C ATOM 1357 CG1 VAL A 84 -2.698 0.956 -5.663 1.00 0.00 C ATOM 1358 CG2 VAL A 84 -3.330 1.030 -8.068 1.00 0.00 C ATOM 0 H VAL A 84 -5.245 0.066 -7.158 1.00 0.00 H new ATOM 0 HA VAL A 84 -4.966 2.108 -5.259 1.00 0.00 H new ATOM 0 HB VAL A 84 -2.962 2.725 -6.834 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -1.660 0.811 -5.963 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -2.730 1.504 -4.722 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -3.178 -0.014 -5.534 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -2.281 0.887 -8.325 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -3.822 0.060 -7.998 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -3.815 1.628 -8.840 1.00 0.00 H new ATOM 1368 N ALA A 85 -5.777 3.081 -8.301 1.00 0.00 N ATOM 1369 CA ALA A 85 -6.293 4.192 -9.095 1.00 0.00 C ATOM 1370 C ALA A 85 -7.481 4.866 -8.418 1.00 0.00 C ATOM 1371 O ALA A 85 -7.537 6.092 -8.334 1.00 0.00 O ATOM 1372 CB ALA A 85 -6.684 3.716 -10.486 1.00 0.00 C ATOM 0 H ALA A 85 -5.718 2.199 -8.809 1.00 0.00 H new ATOM 0 HA ALA A 85 -5.495 4.930 -9.181 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -7.067 4.557 -11.064 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -5.810 3.299 -10.987 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -7.456 2.950 -10.405 1.00 0.00 H new ATOM 1378 N TYR A 86 -8.426 4.072 -7.929 1.00 0.00 N ATOM 1379 CA TYR A 86 -9.609 4.626 -7.283 1.00 0.00 C ATOM 1380 C TYR A 86 -9.277 5.177 -5.900 1.00 0.00 C ATOM 1381 O TYR A 86 -9.768 6.239 -5.518 1.00 0.00 O ATOM 1382 CB TYR A 86 -10.718 3.578 -7.173 1.00 0.00 C ATOM 1383 CG TYR A 86 -11.932 4.072 -6.417 1.00 0.00 C ATOM 1384 CD1 TYR A 86 -12.714 5.104 -6.923 1.00 0.00 C ATOM 1385 CD2 TYR A 86 -12.283 3.524 -5.190 1.00 0.00 C ATOM 1386 CE1 TYR A 86 -13.813 5.571 -6.228 1.00 0.00 C ATOM 1387 CE2 TYR A 86 -13.380 3.986 -4.490 1.00 0.00 C ATOM 1388 CZ TYR A 86 -14.142 5.009 -5.013 1.00 0.00 C ATOM 1389 OH TYR A 86 -15.233 5.477 -4.316 1.00 0.00 O ATOM 0 H TYR A 86 -8.397 3.053 -7.967 1.00 0.00 H new ATOM 0 HA TYR A 86 -9.964 5.446 -7.907 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -11.021 3.273 -8.174 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -10.324 2.692 -6.675 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -12.459 5.548 -7.874 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -11.688 2.723 -4.776 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -14.412 6.373 -6.635 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -13.640 3.548 -3.538 1.00 0.00 H new ATOM 0 HH TYR A 86 -15.183 6.453 -4.246 1.00 0.00 H new ATOM 1399 N TYR A 87 -8.429 4.471 -5.165 1.00 0.00 N ATOM 1400 CA TYR A 87 -8.067 4.878 -3.811 1.00 0.00 C ATOM 1401 C TYR A 87 -7.121 6.079 -3.820 1.00 0.00 C ATOM 1402 O TYR A 87 -6.750 6.607 -2.767 1.00 0.00 O ATOM 1403 CB TYR A 87 -7.455 3.706 -3.045 1.00 0.00 C ATOM 1404 CG TYR A 87 -8.490 2.744 -2.494 1.00 0.00 C ATOM 1405 CD1 TYR A 87 -9.436 2.146 -3.320 1.00 0.00 C ATOM 1406 CD2 TYR A 87 -8.530 2.449 -1.140 1.00 0.00 C ATOM 1407 CE1 TYR A 87 -10.385 1.278 -2.809 1.00 0.00 C ATOM 1408 CE2 TYR A 87 -9.476 1.586 -0.623 1.00 0.00 C ATOM 1409 CZ TYR A 87 -10.401 1.004 -1.458 1.00 0.00 C ATOM 1410 OH TYR A 87 -11.342 0.142 -0.939 1.00 0.00 O ATOM 0 H TYR A 87 -7.978 3.613 -5.482 1.00 0.00 H new ATOM 0 HA TYR A 87 -8.979 5.186 -3.300 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -6.779 3.163 -3.705 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -6.854 4.093 -2.222 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -9.430 2.363 -4.378 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -7.808 2.903 -0.477 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -11.109 0.818 -3.465 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -9.489 1.369 0.435 1.00 0.00 H new ATOM 0 HH TYR A 87 -11.622 -0.493 -1.632 1.00 0.00 H new ATOM 1420 N SER A 88 -6.727 6.500 -5.012 1.00 0.00 N ATOM 1421 CA SER A 88 -5.989 7.739 -5.181 1.00 0.00 C ATOM 1422 C SER A 88 -6.972 8.911 -5.203 1.00 0.00 C ATOM 1423 O SER A 88 -6.640 10.036 -4.819 1.00 0.00 O ATOM 1424 CB SER A 88 -5.183 7.691 -6.484 1.00 0.00 C ATOM 1425 OG SER A 88 -4.317 8.808 -6.607 1.00 0.00 O ATOM 0 H SER A 88 -6.908 5.997 -5.881 1.00 0.00 H new ATOM 0 HA SER A 88 -5.295 7.871 -4.351 1.00 0.00 H new ATOM 0 HB2 SER A 88 -4.598 6.772 -6.516 1.00 0.00 H new ATOM 0 HB3 SER A 88 -5.866 7.665 -7.333 1.00 0.00 H new ATOM 0 HG SER A 88 -3.532 8.678 -6.034 1.00 0.00 H new ATOM 1431 N LYS A 89 -8.198 8.616 -5.628 1.00 0.00 N ATOM 1432 CA LYS A 89 -9.244 9.623 -5.771 1.00 0.00 C ATOM 1433 C LYS A 89 -10.123 9.635 -4.526 1.00 0.00 C ATOM 1434 O LYS A 89 -10.389 10.686 -3.941 1.00 0.00 O ATOM 1435 CB LYS A 89 -10.096 9.311 -7.005 1.00 0.00 C ATOM 1436 CG LYS A 89 -9.272 8.852 -8.198 1.00 0.00 C ATOM 1437 CD LYS A 89 -10.153 8.381 -9.345 1.00 0.00 C ATOM 1438 CE LYS A 89 -9.336 7.674 -10.419 1.00 0.00 C ATOM 1439 NZ LYS A 89 -8.290 8.556 -11.005 1.00 0.00 N ATOM 0 H LYS A 89 -8.493 7.673 -5.882 1.00 0.00 H new ATOM 0 HA LYS A 89 -8.784 10.604 -5.892 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -10.821 8.537 -6.752 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -10.662 10.200 -7.283 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -8.638 9.671 -8.539 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -8.609 8.042 -7.892 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -10.918 7.705 -8.964 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -10.671 9.235 -9.782 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -8.864 6.790 -9.990 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -10.002 7.328 -11.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -7.828 8.067 -11.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -8.729 9.435 -11.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -7.581 8.783 -10.279 1.00 0.00 H new ATOM 1453 N HIS A 90 -10.573 8.450 -4.137 1.00 0.00 N ATOM 1454 CA HIS A 90 -11.333 8.262 -2.909 1.00 0.00 C ATOM 1455 C HIS A 90 -10.659 7.198 -2.063 1.00 0.00 C ATOM 1456 O HIS A 90 -10.523 6.056 -2.494 1.00 0.00 O ATOM 1457 CB HIS A 90 -12.779 7.845 -3.205 1.00 0.00 C ATOM 1458 CG HIS A 90 -13.682 8.978 -3.584 1.00 0.00 C ATOM 1459 ND1 HIS A 90 -14.915 8.796 -4.170 1.00 0.00 N ATOM 1460 CD2 HIS A 90 -13.537 10.314 -3.427 1.00 0.00 C ATOM 1461 CE1 HIS A 90 -15.484 9.970 -4.360 1.00 0.00 C ATOM 1462 NE2 HIS A 90 -14.671 10.909 -3.918 1.00 0.00 N ATOM 0 H HIS A 90 -10.421 7.591 -4.665 1.00 0.00 H new ATOM 0 HA HIS A 90 -11.359 9.210 -2.371 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -12.776 7.113 -4.012 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -13.189 7.348 -2.326 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -12.686 10.819 -2.995 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -16.455 10.135 -4.804 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -14.855 11.912 -3.938 1.00 0.00 H new ATOM 1471 N ALA A 91 -10.237 7.572 -0.864 1.00 0.00 N ATOM 1472 CA ALA A 91 -9.476 6.672 -0.008 1.00 0.00 C ATOM 1473 C ALA A 91 -10.337 5.535 0.535 1.00 0.00 C ATOM 1474 O ALA A 91 -9.805 4.527 1.004 1.00 0.00 O ATOM 1475 CB ALA A 91 -8.837 7.447 1.132 1.00 0.00 C ATOM 0 H ALA A 91 -10.409 8.493 -0.461 1.00 0.00 H new ATOM 0 HA ALA A 91 -8.693 6.222 -0.618 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -8.271 6.763 1.765 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -8.167 8.205 0.726 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -9.614 7.930 1.724 1.00 0.00 H new ATOM 1481 N ASP A 92 -11.660 5.718 0.472 1.00 0.00 N ATOM 1482 CA ASP A 92 -12.637 4.709 0.909 1.00 0.00 C ATOM 1483 C ASP A 92 -12.567 4.490 2.422 1.00 0.00 C ATOM 1484 O ASP A 92 -13.453 4.919 3.160 1.00 0.00 O ATOM 1485 CB ASP A 92 -12.431 3.384 0.161 1.00 0.00 C ATOM 1486 CG ASP A 92 -13.546 2.385 0.411 1.00 0.00 C ATOM 1487 OD1 ASP A 92 -14.690 2.655 -0.010 1.00 0.00 O ATOM 1488 OD2 ASP A 92 -13.279 1.316 1.002 1.00 0.00 O ATOM 0 H ASP A 92 -12.087 6.573 0.115 1.00 0.00 H new ATOM 0 HA ASP A 92 -13.631 5.086 0.668 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -12.362 3.583 -0.908 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -11.481 2.944 0.466 1.00 0.00 H new ATOM 1493 N GLY A 93 -11.504 3.841 2.874 1.00 0.00 N ATOM 1494 CA GLY A 93 -11.304 3.616 4.293 1.00 0.00 C ATOM 1495 C GLY A 93 -10.063 4.322 4.797 1.00 0.00 C ATOM 1496 O GLY A 93 -10.019 4.779 5.941 1.00 0.00 O ATOM 0 H GLY A 93 -10.769 3.462 2.277 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -12.175 3.970 4.845 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -11.218 2.546 4.484 1.00 0.00 H new ATOM 1500 N LEU A 94 -9.051 4.402 3.936 1.00 0.00 N ATOM 1501 CA LEU A 94 -7.823 5.119 4.235 1.00 0.00 C ATOM 1502 C LEU A 94 -8.098 6.604 4.473 1.00 0.00 C ATOM 1503 O LEU A 94 -9.200 7.098 4.226 1.00 0.00 O ATOM 1504 CB LEU A 94 -6.822 4.960 3.082 1.00 0.00 C ATOM 1505 CG LEU A 94 -6.356 3.526 2.807 1.00 0.00 C ATOM 1506 CD1 LEU A 94 -7.372 2.750 1.990 1.00 0.00 C ATOM 1507 CD2 LEU A 94 -5.001 3.530 2.114 1.00 0.00 C ATOM 0 H LEU A 94 -9.064 3.970 3.012 1.00 0.00 H new ATOM 0 HA LEU A 94 -7.399 4.694 5.145 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -7.275 5.357 2.173 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -5.947 5.573 3.296 1.00 0.00 H new ATOM 0 HG LEU A 94 -6.258 3.022 3.769 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -7.004 1.739 1.817 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -8.317 2.704 2.532 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -7.527 3.249 1.033 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -4.685 2.504 1.926 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -5.078 4.065 1.167 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -4.268 4.024 2.751 1.00 0.00 H new ATOM 1519 N CYS A 95 -7.088 7.305 4.956 1.00 0.00 N ATOM 1520 CA CYS A 95 -7.223 8.718 5.276 1.00 0.00 C ATOM 1521 C CYS A 95 -6.313 9.571 4.396 1.00 0.00 C ATOM 1522 O CYS A 95 -6.565 10.758 4.183 1.00 0.00 O ATOM 1523 CB CYS A 95 -6.878 8.941 6.752 1.00 0.00 C ATOM 1524 SG CYS A 95 -6.924 10.668 7.277 1.00 0.00 S ATOM 0 H CYS A 95 -6.161 6.919 5.136 1.00 0.00 H new ATOM 0 HA CYS A 95 -8.254 9.019 5.088 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -7.574 8.369 7.366 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -5.882 8.542 6.944 1.00 0.00 H new ATOM 0 HG CYS A 95 -6.817 11.441 6.237 1.00 0.00 H new ATOM 1530 N HIS A 96 -5.268 8.952 3.869 1.00 0.00 N ATOM 1531 CA HIS A 96 -4.218 9.685 3.174 1.00 0.00 C ATOM 1532 C HIS A 96 -4.534 9.881 1.696 1.00 0.00 C ATOM 1533 O HIS A 96 -4.153 10.897 1.117 1.00 0.00 O ATOM 1534 CB HIS A 96 -2.888 8.942 3.314 1.00 0.00 C ATOM 1535 CG HIS A 96 -2.519 8.643 4.730 1.00 0.00 C ATOM 1536 ND1 HIS A 96 -2.890 7.462 5.328 1.00 0.00 N ATOM 1537 CD2 HIS A 96 -1.836 9.398 5.621 1.00 0.00 C ATOM 1538 CE1 HIS A 96 -2.424 7.524 6.562 1.00 0.00 C ATOM 1539 NE2 HIS A 96 -1.783 8.678 6.784 1.00 0.00 N ATOM 0 H HIS A 96 -5.123 7.943 3.909 1.00 0.00 H new ATOM 0 HA HIS A 96 -4.151 10.671 3.634 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -2.943 8.007 2.756 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -2.098 9.539 2.859 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -1.415 10.377 5.448 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -2.545 6.743 7.298 1.00 0.00 H new ATOM 0 HE2 HIS A 96 -1.339 8.967 7.656 1.00 0.00 H new ATOM 1547 N ARG A 97 -5.242 8.912 1.102 1.00 0.00 N ATOM 1548 CA ARG A 97 -5.416 8.842 -0.354 1.00 0.00 C ATOM 1549 C ARG A 97 -4.079 8.547 -1.026 1.00 0.00 C ATOM 1550 O ARG A 97 -3.092 9.257 -0.819 1.00 0.00 O ATOM 1551 CB ARG A 97 -6.027 10.129 -0.928 1.00 0.00 C ATOM 1552 CG ARG A 97 -7.546 10.152 -0.932 1.00 0.00 C ATOM 1553 CD ARG A 97 -8.081 11.463 -1.493 1.00 0.00 C ATOM 1554 NE ARG A 97 -7.519 11.774 -2.811 1.00 0.00 N ATOM 1555 CZ ARG A 97 -7.631 12.962 -3.403 1.00 0.00 C ATOM 1556 NH1 ARG A 97 -8.371 13.923 -2.856 1.00 0.00 N ATOM 1557 NH2 ARG A 97 -7.020 13.185 -4.560 1.00 0.00 N ATOM 0 H ARG A 97 -5.707 8.161 1.612 1.00 0.00 H new ATOM 0 HA ARG A 97 -6.115 8.032 -0.562 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -5.664 10.979 -0.350 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -5.671 10.262 -1.949 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -7.922 9.320 -1.527 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -7.916 10.011 0.084 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -9.167 11.408 -1.567 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -7.850 12.273 -0.801 1.00 0.00 H new ATOM 0 HE ARG A 97 -7.013 11.038 -3.303 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -8.858 13.753 -1.976 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -8.451 14.830 -3.316 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -6.466 12.447 -4.995 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -7.105 14.094 -5.015 1.00 0.00 H new ATOM 1571 N LEU A 98 -4.049 7.490 -1.823 1.00 0.00 N ATOM 1572 CA LEU A 98 -2.813 7.039 -2.453 1.00 0.00 C ATOM 1573 C LEU A 98 -2.248 8.123 -3.362 1.00 0.00 C ATOM 1574 O LEU A 98 -2.762 8.365 -4.453 1.00 0.00 O ATOM 1575 CB LEU A 98 -3.063 5.746 -3.232 1.00 0.00 C ATOM 1576 CG LEU A 98 -3.593 4.581 -2.388 1.00 0.00 C ATOM 1577 CD1 LEU A 98 -3.791 3.344 -3.245 1.00 0.00 C ATOM 1578 CD2 LEU A 98 -2.646 4.281 -1.232 1.00 0.00 C ATOM 0 H LEU A 98 -4.868 6.926 -2.051 1.00 0.00 H new ATOM 0 HA LEU A 98 -2.076 6.836 -1.676 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -3.775 5.951 -4.031 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -2.131 5.438 -3.707 1.00 0.00 H new ATOM 0 HG LEU A 98 -4.559 4.872 -1.976 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -4.168 2.529 -2.626 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -4.509 3.561 -4.036 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -2.839 3.053 -3.689 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -3.040 3.451 -0.645 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -1.665 4.014 -1.625 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -2.555 5.163 -0.598 1.00 0.00 H new ATOM 1590 N THR A 99 -1.198 8.784 -2.893 1.00 0.00 N ATOM 1591 CA THR A 99 -0.647 9.933 -3.593 1.00 0.00 C ATOM 1592 C THR A 99 0.532 9.530 -4.481 1.00 0.00 C ATOM 1593 O THR A 99 0.446 9.595 -5.711 1.00 0.00 O ATOM 1594 CB THR A 99 -0.204 11.014 -2.585 1.00 0.00 C ATOM 1595 OG1 THR A 99 -1.262 11.258 -1.640 1.00 0.00 O ATOM 1596 CG2 THR A 99 0.152 12.312 -3.295 1.00 0.00 C ATOM 0 H THR A 99 -0.711 8.543 -2.030 1.00 0.00 H new ATOM 0 HA THR A 99 -1.430 10.340 -4.233 1.00 0.00 H new ATOM 0 HB THR A 99 0.682 10.652 -2.064 1.00 0.00 H new ATOM 0 HG1 THR A 99 -1.671 10.406 -1.380 1.00 0.00 H new ATOM 0 HG21 THR A 99 0.461 13.056 -2.560 1.00 0.00 H new ATOM 0 HG22 THR A 99 0.969 12.132 -3.994 1.00 0.00 H new ATOM 0 HG23 THR A 99 -0.718 12.679 -3.840 1.00 0.00 H new ATOM 1604 N ASN A 100 1.620 9.091 -3.870 1.00 0.00 N ATOM 1605 CA ASN A 100 2.817 8.732 -4.621 1.00 0.00 C ATOM 1606 C ASN A 100 3.345 7.393 -4.142 1.00 0.00 C ATOM 1607 O ASN A 100 3.153 7.023 -2.983 1.00 0.00 O ATOM 1608 CB ASN A 100 3.898 9.815 -4.479 1.00 0.00 C ATOM 1609 CG ASN A 100 4.660 9.730 -3.168 1.00 0.00 C ATOM 1610 OD1 ASN A 100 5.705 9.088 -3.085 1.00 0.00 O ATOM 1611 ND2 ASN A 100 4.153 10.384 -2.141 1.00 0.00 N ATOM 0 H ASN A 100 1.702 8.974 -2.860 1.00 0.00 H new ATOM 0 HA ASN A 100 2.554 8.654 -5.676 1.00 0.00 H new ATOM 0 HB2 ASN A 100 4.601 9.728 -5.307 1.00 0.00 H new ATOM 0 HB3 ASN A 100 3.432 10.797 -4.558 1.00 0.00 H new ATOM 0 HD21 ASN A 100 4.631 10.368 -1.240 1.00 0.00 H new ATOM 0 HD22 ASN A 100 3.283 10.906 -2.248 1.00 0.00 H new ATOM 1618 N VAL A 101 3.983 6.656 -5.034 1.00 0.00 N ATOM 1619 CA VAL A 101 4.520 5.351 -4.682 1.00 0.00 C ATOM 1620 C VAL A 101 5.950 5.506 -4.175 1.00 0.00 C ATOM 1621 O VAL A 101 6.686 6.378 -4.641 1.00 0.00 O ATOM 1622 CB VAL A 101 4.498 4.371 -5.877 1.00 0.00 C ATOM 1623 CG1 VAL A 101 4.593 2.932 -5.389 1.00 0.00 C ATOM 1624 CG2 VAL A 101 3.252 4.568 -6.726 1.00 0.00 C ATOM 0 H VAL A 101 4.142 6.935 -6.002 1.00 0.00 H new ATOM 0 HA VAL A 101 3.886 4.933 -3.900 1.00 0.00 H new ATOM 0 HB VAL A 101 5.365 4.583 -6.502 1.00 0.00 H new ATOM 0 HG11 VAL A 101 4.576 2.256 -6.244 1.00 0.00 H new ATOM 0 HG12 VAL A 101 5.523 2.796 -4.837 1.00 0.00 H new ATOM 0 HG13 VAL A 101 3.748 2.713 -4.736 1.00 0.00 H new ATOM 0 HG21 VAL A 101 3.264 3.865 -7.559 1.00 0.00 H new ATOM 0 HG22 VAL A 101 2.365 4.393 -6.117 1.00 0.00 H new ATOM 0 HG23 VAL A 101 3.232 5.587 -7.112 1.00 0.00 H new ATOM 1634 N CYS A 102 6.315 4.659 -3.216 1.00 0.00 N ATOM 1635 CA CYS A 102 7.620 4.705 -2.558 1.00 0.00 C ATOM 1636 C CYS A 102 8.768 4.851 -3.556 1.00 0.00 C ATOM 1637 O CYS A 102 8.847 4.127 -4.552 1.00 0.00 O ATOM 1638 CB CYS A 102 7.820 3.439 -1.723 1.00 0.00 C ATOM 1639 SG CYS A 102 9.407 3.357 -0.854 1.00 0.00 S ATOM 0 H CYS A 102 5.709 3.915 -2.870 1.00 0.00 H new ATOM 0 HA CYS A 102 7.632 5.585 -1.915 1.00 0.00 H new ATOM 0 HB2 CYS A 102 7.015 3.371 -0.991 1.00 0.00 H new ATOM 0 HB3 CYS A 102 7.732 2.571 -2.376 1.00 0.00 H new ATOM 0 HG CYS A 102 10.367 3.668 -1.673 1.00 0.00 H new ATOM 1645 N PRO A 103 9.665 5.815 -3.298 1.00 0.00 N ATOM 1646 CA PRO A 103 10.866 6.026 -4.109 1.00 0.00 C ATOM 1647 C PRO A 103 11.841 4.861 -3.995 1.00 0.00 C ATOM 1648 O PRO A 103 11.886 4.167 -2.976 1.00 0.00 O ATOM 1649 CB PRO A 103 11.489 7.300 -3.526 1.00 0.00 C ATOM 1650 CG PRO A 103 10.413 7.926 -2.708 1.00 0.00 C ATOM 1651 CD PRO A 103 9.573 6.792 -2.204 1.00 0.00 C ATOM 0 HA PRO A 103 10.628 6.108 -5.170 1.00 0.00 H new ATOM 0 HB2 PRO A 103 12.362 7.067 -2.916 1.00 0.00 H new ATOM 0 HB3 PRO A 103 11.823 7.972 -4.317 1.00 0.00 H new ATOM 0 HG2 PRO A 103 10.833 8.499 -1.881 1.00 0.00 H new ATOM 0 HG3 PRO A 103 9.819 8.617 -3.306 1.00 0.00 H new ATOM 0 HD2 PRO A 103 9.957 6.389 -1.267 1.00 0.00 H new ATOM 0 HD3 PRO A 103 8.544 7.100 -2.021 1.00 0.00 H new ATOM 1659 N THR A 104 12.610 4.651 -5.045 1.00 0.00 N ATOM 1660 CA THR A 104 13.598 3.595 -5.081 1.00 0.00 C ATOM 1661 C THR A 104 14.926 4.085 -4.518 1.00 0.00 C ATOM 1662 O THR A 104 15.350 5.207 -4.791 1.00 0.00 O ATOM 1663 CB THR A 104 13.799 3.092 -6.524 1.00 0.00 C ATOM 1664 OG1 THR A 104 13.805 4.206 -7.429 1.00 0.00 O ATOM 1665 CG2 THR A 104 12.696 2.122 -6.920 1.00 0.00 C ATOM 0 H THR A 104 12.566 5.209 -5.898 1.00 0.00 H new ATOM 0 HA THR A 104 13.236 2.771 -4.466 1.00 0.00 H new ATOM 0 HB THR A 104 14.755 2.570 -6.575 1.00 0.00 H new ATOM 0 HG1 THR A 104 13.935 3.883 -8.345 1.00 0.00 H new ATOM 0 HG21 THR A 104 12.861 1.782 -7.942 1.00 0.00 H new ATOM 0 HG22 THR A 104 12.706 1.265 -6.246 1.00 0.00 H new ATOM 0 HG23 THR A 104 11.730 2.623 -6.856 1.00 0.00 H new