USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 579 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 12 GLN : amide:sc= 0.391 K(o=0.39,f=-0.45) USER MOD Single : A 14 TYR OH : rot -171:sc= 0.479 USER MOD Single : A 16 TYR OH : rot 8:sc= 1.04 USER MOD Single : A 18 MET CE :methyl -178:sc= -7.14! (180deg=-7.35!) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0817 USER MOD Single : A 23 ASN : amide:sc= -0.163 X(o=-0.16,f=-0.0032) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot -113:sc= -1.03 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 MET CE :methyl 162:sc= -0.159 (180deg=-0.641) USER MOD Single : A 41 HIS : no HE2:sc= -9.77! C(o=-9.8!,f=-15!) USER MOD Single : A 43 SER OG : rot -40:sc= -4.41! USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 53 MET CE :methyl 178:sc= -6.85! (180deg=-7.04!) USER MOD Single : A 54 SER OG : rot -130:sc=0.000197 USER MOD Single : A 60 LYS NZ :NH3+ -141:sc= -0.358 (180deg=-1.66!) USER MOD Single : A 65 LYS NZ :NH3+ -159:sc= 0.857 (180deg=-0.714) USER MOD Single : A 67 ASN : amide:sc= -3.04! C(o=-3!,f=-7!) USER MOD Single : A 70 LYS NZ :NH3+ 171:sc= 1.27 (180deg=1.15) USER MOD Single : A 71 LYS NZ :NH3+ -117:sc= 0.476 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot -48:sc= 0.0646 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 9 -1.958 13.947 0.299 1.00 0.00 N ATOM 2 CA PRO A 9 -1.192 14.230 1.543 1.00 0.00 C ATOM 3 C PRO A 9 -0.541 12.967 2.105 1.00 0.00 C ATOM 4 O PRO A 9 -0.919 11.851 1.748 1.00 0.00 O ATOM 5 CB PRO A 9 -2.164 14.824 2.558 1.00 0.00 C ATOM 6 CG PRO A 9 -3.438 14.992 1.798 1.00 0.00 C ATOM 7 CD PRO A 9 -3.385 14.007 0.655 1.00 0.00 C ATOM 0 HA PRO A 9 -0.384 14.928 1.324 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -2.297 14.163 3.415 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -1.803 15.777 2.943 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -4.300 14.799 2.437 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -3.538 16.012 1.427 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -3.763 13.029 0.954 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -3.992 14.340 -0.187 1.00 0.00 H new ATOM 15 N GLY A 10 0.436 13.153 2.986 1.00 0.00 N ATOM 16 CA GLY A 10 1.120 12.022 3.584 1.00 0.00 C ATOM 17 C GLY A 10 2.384 11.646 2.835 1.00 0.00 C ATOM 18 O GLY A 10 3.113 12.515 2.357 1.00 0.00 O ATOM 0 H GLY A 10 0.766 14.067 3.296 1.00 0.00 H new ATOM 0 HA2 GLY A 10 1.371 12.258 4.618 1.00 0.00 H new ATOM 0 HA3 GLY A 10 0.447 11.165 3.607 1.00 0.00 H new ATOM 22 N LEU A 11 2.645 10.347 2.737 1.00 0.00 N ATOM 23 CA LEU A 11 3.826 9.853 2.048 1.00 0.00 C ATOM 24 C LEU A 11 3.713 10.076 0.543 1.00 0.00 C ATOM 25 O LEU A 11 2.616 10.053 -0.015 1.00 0.00 O ATOM 26 CB LEU A 11 4.036 8.367 2.347 1.00 0.00 C ATOM 27 CG LEU A 11 3.703 7.940 3.782 1.00 0.00 C ATOM 28 CD1 LEU A 11 2.651 6.842 3.784 1.00 0.00 C ATOM 29 CD2 LEU A 11 4.957 7.478 4.509 1.00 0.00 C ATOM 0 H LEU A 11 2.050 9.617 3.129 1.00 0.00 H new ATOM 0 HA LEU A 11 4.688 10.411 2.413 1.00 0.00 H new ATOM 0 HB2 LEU A 11 3.424 7.784 1.659 1.00 0.00 H new ATOM 0 HB3 LEU A 11 5.076 8.114 2.141 1.00 0.00 H new ATOM 0 HG LEU A 11 3.299 8.804 4.310 1.00 0.00 H new ATOM 0 HD11 LEU A 11 2.429 6.553 4.811 1.00 0.00 H new ATOM 0 HD12 LEU A 11 1.743 7.208 3.305 1.00 0.00 H new ATOM 0 HD13 LEU A 11 3.027 5.977 3.237 1.00 0.00 H new ATOM 0 HD21 LEU A 11 4.699 7.179 5.525 1.00 0.00 H new ATOM 0 HD22 LEU A 11 5.392 6.630 3.981 1.00 0.00 H new ATOM 0 HD23 LEU A 11 5.679 8.294 4.543 1.00 0.00 H new ATOM 41 N GLN A 12 4.851 10.300 -0.108 1.00 0.00 N ATOM 42 CA GLN A 12 4.880 10.536 -1.536 1.00 0.00 C ATOM 43 C GLN A 12 4.510 9.264 -2.302 1.00 0.00 C ATOM 44 O GLN A 12 4.800 8.152 -1.861 1.00 0.00 O ATOM 45 CB GLN A 12 6.271 11.068 -1.927 1.00 0.00 C ATOM 46 CG GLN A 12 6.838 10.517 -3.223 1.00 0.00 C ATOM 47 CD GLN A 12 6.464 11.358 -4.428 1.00 0.00 C ATOM 48 OE1 GLN A 12 6.879 12.511 -4.546 1.00 0.00 O ATOM 49 NE2 GLN A 12 5.676 10.788 -5.331 1.00 0.00 N ATOM 0 H GLN A 12 5.767 10.322 0.340 1.00 0.00 H new ATOM 0 HA GLN A 12 4.137 11.287 -1.805 1.00 0.00 H new ATOM 0 HB2 GLN A 12 6.217 12.154 -2.006 1.00 0.00 H new ATOM 0 HB3 GLN A 12 6.968 10.842 -1.120 1.00 0.00 H new ATOM 0 HG2 GLN A 12 7.924 10.462 -3.146 1.00 0.00 H new ATOM 0 HG3 GLN A 12 6.477 9.499 -3.369 1.00 0.00 H new ATOM 0 HE21 GLN A 12 5.354 9.830 -5.195 1.00 0.00 H new ATOM 0 HE22 GLN A 12 5.392 11.308 -6.161 1.00 0.00 H new ATOM 58 N ILE A 13 3.851 9.442 -3.444 1.00 0.00 N ATOM 59 CA ILE A 13 3.415 8.325 -4.275 1.00 0.00 C ATOM 60 C ILE A 13 4.584 7.590 -4.926 1.00 0.00 C ATOM 61 O ILE A 13 5.480 8.207 -5.503 1.00 0.00 O ATOM 62 CB ILE A 13 2.467 8.827 -5.375 1.00 0.00 C ATOM 63 CG1 ILE A 13 1.292 9.580 -4.747 1.00 0.00 C ATOM 64 CG2 ILE A 13 1.981 7.681 -6.253 1.00 0.00 C ATOM 65 CD1 ILE A 13 0.201 8.678 -4.206 1.00 0.00 C ATOM 0 H ILE A 13 3.606 10.359 -3.817 1.00 0.00 H new ATOM 0 HA ILE A 13 2.901 7.624 -3.618 1.00 0.00 H new ATOM 0 HB ILE A 13 3.017 9.514 -6.018 1.00 0.00 H new ATOM 0 HG12 ILE A 13 1.666 10.206 -3.937 1.00 0.00 H new ATOM 0 HG13 ILE A 13 0.861 10.247 -5.493 1.00 0.00 H new ATOM 0 HG21 ILE A 13 1.312 8.069 -7.021 1.00 0.00 H new ATOM 0 HG22 ILE A 13 2.836 7.198 -6.726 1.00 0.00 H new ATOM 0 HG23 ILE A 13 1.447 6.955 -5.641 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -0.595 9.287 -3.778 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -0.203 8.070 -5.015 1.00 0.00 H new ATOM 0 HD13 ILE A 13 0.615 8.028 -3.435 1.00 0.00 H new ATOM 77 N TYR A 14 4.549 6.264 -4.844 1.00 0.00 N ATOM 78 CA TYR A 14 5.581 5.422 -5.437 1.00 0.00 C ATOM 79 C TYR A 14 4.954 4.452 -6.435 1.00 0.00 C ATOM 80 O TYR A 14 3.813 4.026 -6.256 1.00 0.00 O ATOM 81 CB TYR A 14 6.323 4.636 -4.355 1.00 0.00 C ATOM 82 CG TYR A 14 7.024 5.503 -3.334 1.00 0.00 C ATOM 83 CD1 TYR A 14 7.421 6.798 -3.640 1.00 0.00 C ATOM 84 CD2 TYR A 14 7.294 5.019 -2.062 1.00 0.00 C ATOM 85 CE1 TYR A 14 8.066 7.587 -2.706 1.00 0.00 C ATOM 86 CE2 TYR A 14 7.938 5.799 -1.123 1.00 0.00 C ATOM 87 CZ TYR A 14 8.323 7.082 -1.449 1.00 0.00 C ATOM 88 OH TYR A 14 8.966 7.862 -0.516 1.00 0.00 O ATOM 0 H TYR A 14 3.810 5.746 -4.368 1.00 0.00 H new ATOM 0 HA TYR A 14 6.293 6.065 -5.955 1.00 0.00 H new ATOM 0 HB2 TYR A 14 5.613 3.988 -3.840 1.00 0.00 H new ATOM 0 HB3 TYR A 14 7.058 3.988 -4.832 1.00 0.00 H new ATOM 0 HD1 TYR A 14 7.222 7.195 -4.624 1.00 0.00 H new ATOM 0 HD2 TYR A 14 6.995 4.014 -1.802 1.00 0.00 H new ATOM 0 HE1 TYR A 14 8.367 8.593 -2.959 1.00 0.00 H new ATOM 0 HE2 TYR A 14 8.139 5.406 -0.137 1.00 0.00 H new ATOM 0 HH TYR A 14 9.195 7.316 0.265 1.00 0.00 H new ATOM 98 N PRO A 15 5.680 4.089 -7.506 1.00 0.00 N ATOM 99 CA PRO A 15 5.170 3.171 -8.528 1.00 0.00 C ATOM 100 C PRO A 15 5.035 1.731 -8.029 1.00 0.00 C ATOM 101 O PRO A 15 5.497 0.799 -8.684 1.00 0.00 O ATOM 102 CB PRO A 15 6.217 3.249 -9.653 1.00 0.00 C ATOM 103 CG PRO A 15 7.093 4.409 -9.311 1.00 0.00 C ATOM 104 CD PRO A 15 7.038 4.549 -7.819 1.00 0.00 C ATOM 0 HA PRO A 15 4.165 3.453 -8.841 1.00 0.00 H new ATOM 0 HB2 PRO A 15 6.795 2.327 -9.714 1.00 0.00 H new ATOM 0 HB3 PRO A 15 5.740 3.391 -10.623 1.00 0.00 H new ATOM 0 HG2 PRO A 15 8.115 4.238 -9.649 1.00 0.00 H new ATOM 0 HG3 PRO A 15 6.744 5.318 -9.800 1.00 0.00 H new ATOM 0 HD2 PRO A 15 7.796 3.940 -7.326 1.00 0.00 H new ATOM 0 HD3 PRO A 15 7.201 5.579 -7.502 1.00 0.00 H new ATOM 112 N TYR A 16 4.376 1.563 -6.884 1.00 0.00 N ATOM 113 CA TYR A 16 4.148 0.235 -6.300 1.00 0.00 C ATOM 114 C TYR A 16 5.439 -0.558 -6.132 1.00 0.00 C ATOM 115 O TYR A 16 5.922 -0.765 -5.018 1.00 0.00 O ATOM 116 CB TYR A 16 3.162 -0.552 -7.172 1.00 0.00 C ATOM 117 CG TYR A 16 2.771 -1.907 -6.614 1.00 0.00 C ATOM 118 CD1 TYR A 16 2.176 -2.029 -5.363 1.00 0.00 C ATOM 119 CD2 TYR A 16 2.986 -3.069 -7.351 1.00 0.00 C ATOM 120 CE1 TYR A 16 1.808 -3.265 -4.861 1.00 0.00 C ATOM 121 CE2 TYR A 16 2.620 -4.306 -6.857 1.00 0.00 C ATOM 122 CZ TYR A 16 2.032 -4.399 -5.614 1.00 0.00 C ATOM 123 OH TYR A 16 1.667 -5.631 -5.124 1.00 0.00 O ATOM 0 H TYR A 16 3.987 2.331 -6.337 1.00 0.00 H new ATOM 0 HA TYR A 16 3.730 0.385 -5.304 1.00 0.00 H new ATOM 0 HB2 TYR A 16 2.260 0.045 -7.308 1.00 0.00 H new ATOM 0 HB3 TYR A 16 3.602 -0.693 -8.159 1.00 0.00 H new ATOM 0 HD1 TYR A 16 1.998 -1.143 -4.772 1.00 0.00 H new ATOM 0 HD2 TYR A 16 3.447 -3.002 -8.325 1.00 0.00 H new ATOM 0 HE1 TYR A 16 1.349 -3.341 -3.887 1.00 0.00 H new ATOM 0 HE2 TYR A 16 2.794 -5.197 -7.442 1.00 0.00 H new ATOM 0 HH TYR A 16 1.154 -5.515 -4.297 1.00 0.00 H new ATOM 133 N GLU A 17 5.973 -1.005 -7.250 1.00 0.00 N ATOM 134 CA GLU A 17 7.199 -1.796 -7.283 1.00 0.00 C ATOM 135 C GLU A 17 8.305 -1.157 -6.452 1.00 0.00 C ATOM 136 O GLU A 17 9.217 -1.841 -5.987 1.00 0.00 O ATOM 137 CB GLU A 17 7.673 -1.975 -8.727 1.00 0.00 C ATOM 138 CG GLU A 17 7.052 -3.173 -9.427 1.00 0.00 C ATOM 139 CD GLU A 17 7.850 -3.617 -10.638 1.00 0.00 C ATOM 140 OE1 GLU A 17 8.987 -4.100 -10.455 1.00 0.00 O ATOM 141 OE2 GLU A 17 7.337 -3.482 -11.768 1.00 0.00 O ATOM 0 H GLU A 17 5.570 -0.832 -8.171 1.00 0.00 H new ATOM 0 HA GLU A 17 6.973 -2.770 -6.850 1.00 0.00 H new ATOM 0 HB2 GLU A 17 7.439 -1.073 -9.292 1.00 0.00 H new ATOM 0 HB3 GLU A 17 8.758 -2.083 -8.734 1.00 0.00 H new ATOM 0 HG2 GLU A 17 6.975 -4.002 -8.723 1.00 0.00 H new ATOM 0 HG3 GLU A 17 6.037 -2.923 -9.737 1.00 0.00 H new ATOM 148 N MET A 18 8.216 0.152 -6.259 1.00 0.00 N ATOM 149 CA MET A 18 9.208 0.871 -5.474 1.00 0.00 C ATOM 150 C MET A 18 9.214 0.357 -4.039 1.00 0.00 C ATOM 151 O MET A 18 10.189 0.523 -3.306 1.00 0.00 O ATOM 152 CB MET A 18 8.924 2.374 -5.497 1.00 0.00 C ATOM 153 CG MET A 18 10.008 3.185 -6.190 1.00 0.00 C ATOM 154 SD MET A 18 10.382 4.725 -5.329 1.00 0.00 S ATOM 155 CE MET A 18 9.202 5.836 -6.092 1.00 0.00 C ATOM 0 H MET A 18 7.469 0.736 -6.635 1.00 0.00 H new ATOM 0 HA MET A 18 10.190 0.699 -5.914 1.00 0.00 H new ATOM 0 HB2 MET A 18 7.973 2.548 -6.000 1.00 0.00 H new ATOM 0 HB3 MET A 18 8.813 2.731 -4.473 1.00 0.00 H new ATOM 0 HG2 MET A 18 10.915 2.585 -6.263 1.00 0.00 H new ATOM 0 HG3 MET A 18 9.692 3.410 -7.209 1.00 0.00 H new ATOM 0 HE1 MET A 18 9.334 6.840 -5.689 1.00 0.00 H new ATOM 0 HE2 MET A 18 9.363 5.854 -7.170 1.00 0.00 H new ATOM 0 HE3 MET A 18 8.189 5.491 -5.883 1.00 0.00 H new ATOM 165 N LEU A 19 8.108 -0.267 -3.655 1.00 0.00 N ATOM 166 CA LEU A 19 7.946 -0.817 -2.319 1.00 0.00 C ATOM 167 C LEU A 19 7.866 -2.337 -2.376 1.00 0.00 C ATOM 168 O LEU A 19 8.412 -3.039 -1.525 1.00 0.00 O ATOM 169 CB LEU A 19 6.664 -0.267 -1.705 1.00 0.00 C ATOM 170 CG LEU A 19 6.491 1.250 -1.798 1.00 0.00 C ATOM 171 CD1 LEU A 19 5.060 1.598 -2.187 1.00 0.00 C ATOM 172 CD2 LEU A 19 6.870 1.913 -0.479 1.00 0.00 C ATOM 0 H LEU A 19 7.300 -0.405 -4.262 1.00 0.00 H new ATOM 0 HA LEU A 19 8.805 -0.533 -1.711 1.00 0.00 H new ATOM 0 HB2 LEU A 19 5.814 -0.743 -2.193 1.00 0.00 H new ATOM 0 HB3 LEU A 19 6.631 -0.556 -0.654 1.00 0.00 H new ATOM 0 HG LEU A 19 7.158 1.629 -2.572 1.00 0.00 H new ATOM 0 HD11 LEU A 19 4.953 2.681 -2.249 1.00 0.00 H new ATOM 0 HD12 LEU A 19 4.828 1.154 -3.155 1.00 0.00 H new ATOM 0 HD13 LEU A 19 4.374 1.208 -1.435 1.00 0.00 H new ATOM 0 HD21 LEU A 19 6.741 2.992 -0.564 1.00 0.00 H new ATOM 0 HD22 LEU A 19 6.230 1.532 0.317 1.00 0.00 H new ATOM 0 HD23 LEU A 19 7.911 1.690 -0.245 1.00 0.00 H new ATOM 184 N VAL A 20 7.163 -2.829 -3.389 1.00 0.00 N ATOM 185 CA VAL A 20 6.971 -4.259 -3.587 1.00 0.00 C ATOM 186 C VAL A 20 8.278 -4.967 -3.930 1.00 0.00 C ATOM 187 O VAL A 20 8.541 -5.282 -5.090 1.00 0.00 O ATOM 188 CB VAL A 20 5.946 -4.515 -4.701 1.00 0.00 C ATOM 189 CG1 VAL A 20 5.609 -5.991 -4.790 1.00 0.00 C ATOM 190 CG2 VAL A 20 4.694 -3.689 -4.465 1.00 0.00 C ATOM 0 H VAL A 20 6.711 -2.248 -4.095 1.00 0.00 H new ATOM 0 HA VAL A 20 6.600 -4.665 -2.646 1.00 0.00 H new ATOM 0 HB VAL A 20 6.384 -4.212 -5.652 1.00 0.00 H new ATOM 0 HG11 VAL A 20 4.881 -6.151 -5.585 1.00 0.00 H new ATOM 0 HG12 VAL A 20 6.514 -6.558 -5.007 1.00 0.00 H new ATOM 0 HG13 VAL A 20 5.189 -6.326 -3.842 1.00 0.00 H new ATOM 0 HG21 VAL A 20 3.976 -3.881 -5.262 1.00 0.00 H new ATOM 0 HG22 VAL A 20 4.253 -3.962 -3.506 1.00 0.00 H new ATOM 0 HG23 VAL A 20 4.953 -2.630 -4.456 1.00 0.00 H new ATOM 200 N VAL A 21 9.087 -5.221 -2.909 1.00 0.00 N ATOM 201 CA VAL A 21 10.359 -5.896 -3.092 1.00 0.00 C ATOM 202 C VAL A 21 10.161 -7.405 -3.200 1.00 0.00 C ATOM 203 O VAL A 21 9.617 -8.034 -2.293 1.00 0.00 O ATOM 204 CB VAL A 21 11.330 -5.596 -1.934 1.00 0.00 C ATOM 205 CG1 VAL A 21 12.699 -6.197 -2.213 1.00 0.00 C ATOM 206 CG2 VAL A 21 11.436 -4.097 -1.700 1.00 0.00 C ATOM 0 H VAL A 21 8.881 -4.967 -1.943 1.00 0.00 H new ATOM 0 HA VAL A 21 10.791 -5.518 -4.019 1.00 0.00 H new ATOM 0 HB VAL A 21 10.936 -6.055 -1.027 1.00 0.00 H new ATOM 0 HG11 VAL A 21 13.370 -5.974 -1.384 1.00 0.00 H new ATOM 0 HG12 VAL A 21 12.606 -7.277 -2.324 1.00 0.00 H new ATOM 0 HG13 VAL A 21 13.103 -5.771 -3.131 1.00 0.00 H new ATOM 0 HG21 VAL A 21 12.126 -3.905 -0.878 1.00 0.00 H new ATOM 0 HG22 VAL A 21 11.805 -3.613 -2.604 1.00 0.00 H new ATOM 0 HG23 VAL A 21 10.453 -3.698 -1.449 1.00 0.00 H new ATOM 216 N THR A 22 10.604 -7.979 -4.313 1.00 0.00 N ATOM 217 CA THR A 22 10.473 -9.409 -4.541 1.00 0.00 C ATOM 218 C THR A 22 11.556 -10.187 -3.794 1.00 0.00 C ATOM 219 O THR A 22 12.289 -10.980 -4.384 1.00 0.00 O ATOM 220 CB THR A 22 10.530 -9.716 -6.037 1.00 0.00 C ATOM 221 OG1 THR A 22 10.776 -8.540 -6.784 1.00 0.00 O ATOM 222 CG2 THR A 22 9.255 -10.336 -6.567 1.00 0.00 C ATOM 0 H THR A 22 11.058 -7.472 -5.073 1.00 0.00 H new ATOM 0 HA THR A 22 9.504 -9.726 -4.155 1.00 0.00 H new ATOM 0 HB THR A 22 11.343 -10.433 -6.153 1.00 0.00 H new ATOM 0 HG1 THR A 22 10.810 -8.760 -7.738 1.00 0.00 H new ATOM 0 HG21 THR A 22 9.361 -10.529 -7.634 1.00 0.00 H new ATOM 0 HG22 THR A 22 9.062 -11.274 -6.046 1.00 0.00 H new ATOM 0 HG23 THR A 22 8.422 -9.652 -6.403 1.00 0.00 H new ATOM 230 N ASN A 23 11.644 -9.955 -2.488 1.00 0.00 N ATOM 231 CA ASN A 23 12.626 -10.628 -1.648 1.00 0.00 C ATOM 232 C ASN A 23 12.513 -10.158 -0.200 1.00 0.00 C ATOM 233 O ASN A 23 13.378 -9.437 0.299 1.00 0.00 O ATOM 234 CB ASN A 23 14.044 -10.377 -2.168 1.00 0.00 C ATOM 235 CG ASN A 23 14.998 -11.501 -1.812 1.00 0.00 C ATOM 236 OD1 ASN A 23 16.014 -11.282 -1.152 1.00 0.00 O ATOM 237 ND2 ASN A 23 14.673 -12.712 -2.249 1.00 0.00 N ATOM 0 H ASN A 23 11.042 -9.301 -1.987 1.00 0.00 H new ATOM 0 HA ASN A 23 12.422 -11.698 -1.685 1.00 0.00 H new ATOM 0 HB2 ASN A 23 14.015 -10.258 -3.251 1.00 0.00 H new ATOM 0 HB3 ASN A 23 14.419 -9.441 -1.754 1.00 0.00 H new ATOM 0 HD21 ASN A 23 15.276 -13.508 -2.041 1.00 0.00 H new ATOM 0 HD22 ASN A 23 13.821 -12.846 -2.793 1.00 0.00 H new ATOM 244 N LYS A 24 11.439 -10.567 0.468 1.00 0.00 N ATOM 245 CA LYS A 24 11.208 -10.187 1.857 1.00 0.00 C ATOM 246 C LYS A 24 12.431 -10.483 2.722 1.00 0.00 C ATOM 247 O LYS A 24 13.101 -11.499 2.539 1.00 0.00 O ATOM 248 CB LYS A 24 9.987 -10.923 2.413 1.00 0.00 C ATOM 249 CG LYS A 24 10.167 -12.430 2.489 1.00 0.00 C ATOM 250 CD LYS A 24 9.120 -13.162 1.663 1.00 0.00 C ATOM 251 CE LYS A 24 7.728 -13.006 2.257 1.00 0.00 C ATOM 252 NZ LYS A 24 7.100 -14.323 2.554 1.00 0.00 N ATOM 0 H LYS A 24 10.714 -11.163 0.069 1.00 0.00 H new ATOM 0 HA LYS A 24 11.023 -9.113 1.883 1.00 0.00 H new ATOM 0 HB2 LYS A 24 9.766 -10.541 3.410 1.00 0.00 H new ATOM 0 HB3 LYS A 24 9.123 -10.700 1.787 1.00 0.00 H new ATOM 0 HG2 LYS A 24 11.163 -12.696 2.134 1.00 0.00 H new ATOM 0 HG3 LYS A 24 10.102 -12.753 3.528 1.00 0.00 H new ATOM 0 HD2 LYS A 24 9.126 -12.777 0.643 1.00 0.00 H new ATOM 0 HD3 LYS A 24 9.375 -14.220 1.606 1.00 0.00 H new ATOM 0 HE2 LYS A 24 7.788 -12.418 3.173 1.00 0.00 H new ATOM 0 HE3 LYS A 24 7.097 -12.451 1.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 6.153 -14.173 2.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 7.019 -14.875 1.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 7.689 -14.842 3.236 1.00 0.00 H new ATOM 266 N GLY A 25 12.714 -9.587 3.661 1.00 0.00 N ATOM 267 CA GLY A 25 13.856 -9.769 4.539 1.00 0.00 C ATOM 268 C GLY A 25 14.382 -8.455 5.085 1.00 0.00 C ATOM 269 O GLY A 25 13.625 -7.658 5.638 1.00 0.00 O ATOM 0 H GLY A 25 12.174 -8.738 3.830 1.00 0.00 H new ATOM 0 HA2 GLY A 25 13.573 -10.417 5.369 1.00 0.00 H new ATOM 0 HA3 GLY A 25 14.652 -10.278 3.995 1.00 0.00 H new ATOM 273 N ARG A 26 15.683 -8.231 4.930 1.00 0.00 N ATOM 274 CA ARG A 26 16.311 -7.013 5.409 1.00 0.00 C ATOM 275 C ARG A 26 16.376 -5.955 4.310 1.00 0.00 C ATOM 276 O ARG A 26 17.356 -5.217 4.204 1.00 0.00 O ATOM 277 CB ARG A 26 17.717 -7.310 5.933 1.00 0.00 C ATOM 278 CG ARG A 26 17.777 -8.512 6.864 1.00 0.00 C ATOM 279 CD ARG A 26 18.514 -9.678 6.225 1.00 0.00 C ATOM 280 NE ARG A 26 19.958 -9.589 6.425 1.00 0.00 N ATOM 281 CZ ARG A 26 20.568 -9.890 7.569 1.00 0.00 C ATOM 282 NH1 ARG A 26 19.864 -10.297 8.617 1.00 0.00 N ATOM 283 NH2 ARG A 26 21.886 -9.782 7.666 1.00 0.00 N ATOM 0 H ARG A 26 16.322 -8.882 4.474 1.00 0.00 H new ATOM 0 HA ARG A 26 15.702 -6.621 6.223 1.00 0.00 H new ATOM 0 HB2 ARG A 26 18.382 -7.482 5.087 1.00 0.00 H new ATOM 0 HB3 ARG A 26 18.092 -6.433 6.460 1.00 0.00 H new ATOM 0 HG2 ARG A 26 18.275 -8.230 7.792 1.00 0.00 H new ATOM 0 HG3 ARG A 26 16.765 -8.820 7.127 1.00 0.00 H new ATOM 0 HD2 ARG A 26 18.147 -10.614 6.647 1.00 0.00 H new ATOM 0 HD3 ARG A 26 18.297 -9.703 5.157 1.00 0.00 H new ATOM 0 HE ARG A 26 20.533 -9.278 5.642 1.00 0.00 H new ATOM 0 HH11 ARG A 26 18.850 -10.381 8.549 1.00 0.00 H new ATOM 0 HH12 ARG A 26 20.337 -10.526 9.491 1.00 0.00 H new ATOM 0 HH21 ARG A 26 22.432 -9.468 6.864 1.00 0.00 H new ATOM 0 HH22 ARG A 26 22.353 -10.013 8.543 1.00 0.00 H new ATOM 297 N THR A 27 15.331 -5.888 3.492 1.00 0.00 N ATOM 298 CA THR A 27 15.277 -4.925 2.402 1.00 0.00 C ATOM 299 C THR A 27 15.169 -3.502 2.927 1.00 0.00 C ATOM 300 O THR A 27 14.803 -3.272 4.079 1.00 0.00 O ATOM 301 CB THR A 27 14.112 -5.214 1.448 1.00 0.00 C ATOM 302 OG1 THR A 27 13.668 -4.025 0.824 1.00 0.00 O ATOM 303 CG2 THR A 27 12.912 -5.858 2.110 1.00 0.00 C ATOM 0 H THR A 27 14.511 -6.490 3.564 1.00 0.00 H new ATOM 0 HA THR A 27 16.210 -5.026 1.847 1.00 0.00 H new ATOM 0 HB THR A 27 14.518 -5.921 0.724 1.00 0.00 H new ATOM 0 HG1 THR A 27 12.763 -3.812 1.133 1.00 0.00 H new ATOM 0 HG21 THR A 27 12.134 -6.028 1.366 1.00 0.00 H new ATOM 0 HG22 THR A 27 13.207 -6.810 2.551 1.00 0.00 H new ATOM 0 HG23 THR A 27 12.530 -5.200 2.890 1.00 0.00 H new ATOM 311 N LYS A 28 15.494 -2.554 2.061 1.00 0.00 N ATOM 312 CA LYS A 28 15.442 -1.140 2.412 1.00 0.00 C ATOM 313 C LYS A 28 14.257 -0.457 1.739 1.00 0.00 C ATOM 314 O LYS A 28 14.172 -0.408 0.512 1.00 0.00 O ATOM 315 CB LYS A 28 16.744 -0.445 2.008 1.00 0.00 C ATOM 316 CG LYS A 28 17.929 -0.817 2.882 1.00 0.00 C ATOM 317 CD LYS A 28 19.102 0.124 2.660 1.00 0.00 C ATOM 318 CE LYS A 28 20.431 -0.557 2.948 1.00 0.00 C ATOM 319 NZ LYS A 28 21.367 -0.461 1.793 1.00 0.00 N ATOM 0 H LYS A 28 15.798 -2.738 1.105 1.00 0.00 H new ATOM 0 HA LYS A 28 15.317 -1.063 3.492 1.00 0.00 H new ATOM 0 HB2 LYS A 28 16.974 -0.696 0.973 1.00 0.00 H new ATOM 0 HB3 LYS A 28 16.598 0.634 2.049 1.00 0.00 H new ATOM 0 HG2 LYS A 28 17.632 -0.789 3.930 1.00 0.00 H new ATOM 0 HG3 LYS A 28 18.236 -1.840 2.665 1.00 0.00 H new ATOM 0 HD2 LYS A 28 19.092 0.482 1.630 1.00 0.00 H new ATOM 0 HD3 LYS A 28 18.994 0.998 3.302 1.00 0.00 H new ATOM 0 HE2 LYS A 28 20.890 -0.101 3.826 1.00 0.00 H new ATOM 0 HE3 LYS A 28 20.257 -1.606 3.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 22.261 -0.937 2.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 20.941 -0.918 0.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 21.554 0.540 1.580 1.00 0.00 H new ATOM 333 N LEU A 29 13.344 0.069 2.548 1.00 0.00 N ATOM 334 CA LEU A 29 12.167 0.745 2.032 1.00 0.00 C ATOM 335 C LEU A 29 12.500 2.170 1.600 1.00 0.00 C ATOM 336 O LEU A 29 13.391 2.805 2.163 1.00 0.00 O ATOM 337 CB LEU A 29 11.061 0.772 3.089 1.00 0.00 C ATOM 338 CG LEU A 29 10.161 -0.466 3.134 1.00 0.00 C ATOM 339 CD1 LEU A 29 8.985 -0.227 4.067 1.00 0.00 C ATOM 340 CD2 LEU A 29 9.669 -0.826 1.739 1.00 0.00 C ATOM 0 H LEU A 29 13.400 0.038 3.566 1.00 0.00 H new ATOM 0 HA LEU A 29 11.818 0.190 1.161 1.00 0.00 H new ATOM 0 HB2 LEU A 29 11.522 0.900 4.068 1.00 0.00 H new ATOM 0 HB3 LEU A 29 10.436 1.648 2.913 1.00 0.00 H new ATOM 0 HG LEU A 29 10.746 -1.303 3.515 1.00 0.00 H new ATOM 0 HD11 LEU A 29 8.353 -1.115 4.090 1.00 0.00 H new ATOM 0 HD12 LEU A 29 9.354 -0.018 5.071 1.00 0.00 H new ATOM 0 HD13 LEU A 29 8.404 0.623 3.710 1.00 0.00 H new ATOM 0 HD21 LEU A 29 9.031 -1.708 1.794 1.00 0.00 H new ATOM 0 HD22 LEU A 29 9.100 0.008 1.328 1.00 0.00 H new ATOM 0 HD23 LEU A 29 10.523 -1.035 1.095 1.00 0.00 H new ATOM 352 N PRO A 30 11.782 2.693 0.592 1.00 0.00 N ATOM 353 CA PRO A 30 12.003 4.052 0.089 1.00 0.00 C ATOM 354 C PRO A 30 11.996 5.090 1.208 1.00 0.00 C ATOM 355 O PRO A 30 11.678 4.775 2.356 1.00 0.00 O ATOM 356 CB PRO A 30 10.819 4.275 -0.854 1.00 0.00 C ATOM 357 CG PRO A 30 10.439 2.909 -1.306 1.00 0.00 C ATOM 358 CD PRO A 30 10.696 2.005 -0.133 1.00 0.00 C ATOM 0 HA PRO A 30 12.975 4.158 -0.392 1.00 0.00 H new ATOM 0 HB2 PRO A 30 9.992 4.768 -0.343 1.00 0.00 H new ATOM 0 HB3 PRO A 30 11.097 4.909 -1.696 1.00 0.00 H new ATOM 0 HG2 PRO A 30 9.392 2.873 -1.606 1.00 0.00 H new ATOM 0 HG3 PRO A 30 11.028 2.605 -2.171 1.00 0.00 H new ATOM 0 HD2 PRO A 30 9.808 1.889 0.488 1.00 0.00 H new ATOM 0 HD3 PRO A 30 10.994 1.006 -0.452 1.00 0.00 H new ATOM 366 N PRO A 31 12.355 6.344 0.891 1.00 0.00 N ATOM 367 CA PRO A 31 12.394 7.429 1.877 1.00 0.00 C ATOM 368 C PRO A 31 11.018 7.741 2.455 1.00 0.00 C ATOM 369 O PRO A 31 10.106 8.145 1.734 1.00 0.00 O ATOM 370 CB PRO A 31 12.924 8.631 1.082 1.00 0.00 C ATOM 371 CG PRO A 31 13.536 8.052 -0.149 1.00 0.00 C ATOM 372 CD PRO A 31 12.756 6.804 -0.447 1.00 0.00 C ATOM 0 HA PRO A 31 13.012 7.167 2.736 1.00 0.00 H new ATOM 0 HB2 PRO A 31 12.120 9.323 0.833 1.00 0.00 H new ATOM 0 HB3 PRO A 31 13.659 9.191 1.660 1.00 0.00 H new ATOM 0 HG2 PRO A 31 13.481 8.755 -0.980 1.00 0.00 H new ATOM 0 HG3 PRO A 31 14.591 7.826 0.008 1.00 0.00 H new ATOM 0 HD2 PRO A 31 11.893 7.008 -1.080 1.00 0.00 H new ATOM 0 HD3 PRO A 31 13.363 6.062 -0.965 1.00 0.00 H new ATOM 380 N GLY A 32 10.880 7.557 3.764 1.00 0.00 N ATOM 381 CA GLY A 32 9.618 7.829 4.424 1.00 0.00 C ATOM 382 C GLY A 32 8.498 6.919 3.958 1.00 0.00 C ATOM 383 O GLY A 32 7.623 7.341 3.204 1.00 0.00 O ATOM 0 H GLY A 32 11.622 7.224 4.380 1.00 0.00 H new ATOM 0 HA2 GLY A 32 9.746 7.717 5.501 1.00 0.00 H new ATOM 0 HA3 GLY A 32 9.335 8.866 4.243 1.00 0.00 H new ATOM 387 N VAL A 33 8.526 5.668 4.410 1.00 0.00 N ATOM 388 CA VAL A 33 7.517 4.697 4.050 1.00 0.00 C ATOM 389 C VAL A 33 6.787 4.181 5.270 1.00 0.00 C ATOM 390 O VAL A 33 7.320 4.165 6.379 1.00 0.00 O ATOM 391 CB VAL A 33 8.111 3.531 3.256 1.00 0.00 C ATOM 392 CG1 VAL A 33 7.109 2.395 3.103 1.00 0.00 C ATOM 393 CG2 VAL A 33 8.581 4.023 1.903 1.00 0.00 C ATOM 0 H VAL A 33 9.249 5.308 5.033 1.00 0.00 H new ATOM 0 HA VAL A 33 6.799 5.211 3.411 1.00 0.00 H new ATOM 0 HB VAL A 33 8.964 3.136 3.807 1.00 0.00 H new ATOM 0 HG11 VAL A 33 7.563 1.583 2.534 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.820 2.030 4.088 1.00 0.00 H new ATOM 0 HG13 VAL A 33 6.226 2.757 2.576 1.00 0.00 H new ATOM 0 HG21 VAL A 33 9.003 3.191 1.340 1.00 0.00 H new ATOM 0 HG22 VAL A 33 7.737 4.441 1.354 1.00 0.00 H new ATOM 0 HG23 VAL A 33 9.341 4.792 2.039 1.00 0.00 H new ATOM 403 N ASP A 34 5.547 3.790 5.048 1.00 0.00 N ATOM 404 CA ASP A 34 4.700 3.303 6.110 1.00 0.00 C ATOM 405 C ASP A 34 4.408 1.816 5.949 1.00 0.00 C ATOM 406 O ASP A 34 3.533 1.426 5.176 1.00 0.00 O ATOM 407 CB ASP A 34 3.404 4.103 6.094 1.00 0.00 C ATOM 408 CG ASP A 34 2.978 4.554 7.478 1.00 0.00 C ATOM 409 OD1 ASP A 34 2.413 3.728 8.224 1.00 0.00 O ATOM 410 OD2 ASP A 34 3.211 5.734 7.815 1.00 0.00 O ATOM 0 H ASP A 34 5.104 3.802 4.130 1.00 0.00 H new ATOM 0 HA ASP A 34 5.210 3.430 7.065 1.00 0.00 H new ATOM 0 HB2 ASP A 34 3.529 4.976 5.454 1.00 0.00 H new ATOM 0 HB3 ASP A 34 2.612 3.496 5.654 1.00 0.00 H new ATOM 415 N ARG A 35 5.138 0.988 6.689 1.00 0.00 N ATOM 416 CA ARG A 35 4.948 -0.458 6.631 1.00 0.00 C ATOM 417 C ARG A 35 3.486 -0.819 6.877 1.00 0.00 C ATOM 418 O ARG A 35 2.927 -1.690 6.209 1.00 0.00 O ATOM 419 CB ARG A 35 5.842 -1.154 7.660 1.00 0.00 C ATOM 420 CG ARG A 35 6.673 -2.286 7.077 1.00 0.00 C ATOM 421 CD ARG A 35 6.699 -3.493 8.002 1.00 0.00 C ATOM 422 NE ARG A 35 8.006 -4.147 8.013 1.00 0.00 N ATOM 423 CZ ARG A 35 8.355 -5.090 8.885 1.00 0.00 C ATOM 424 NH1 ARG A 35 7.499 -5.492 9.816 1.00 0.00 N ATOM 425 NH2 ARG A 35 9.564 -5.632 8.827 1.00 0.00 N ATOM 0 H ARG A 35 5.866 1.292 7.335 1.00 0.00 H new ATOM 0 HA ARG A 35 5.226 -0.800 5.634 1.00 0.00 H new ATOM 0 HB2 ARG A 35 6.509 -0.417 8.107 1.00 0.00 H new ATOM 0 HB3 ARG A 35 5.219 -1.548 8.463 1.00 0.00 H new ATOM 0 HG2 ARG A 35 6.265 -2.577 6.109 1.00 0.00 H new ATOM 0 HG3 ARG A 35 7.691 -1.938 6.902 1.00 0.00 H new ATOM 0 HD2 ARG A 35 6.442 -3.180 9.014 1.00 0.00 H new ATOM 0 HD3 ARG A 35 5.939 -4.208 7.687 1.00 0.00 H new ATOM 0 HE ARG A 35 8.690 -3.864 7.312 1.00 0.00 H new ATOM 0 HH11 ARG A 35 6.568 -5.078 9.866 1.00 0.00 H new ATOM 0 HH12 ARG A 35 7.772 -6.215 10.482 1.00 0.00 H new ATOM 0 HH21 ARG A 35 10.226 -5.326 8.114 1.00 0.00 H new ATOM 0 HH22 ARG A 35 9.832 -6.355 9.495 1.00 0.00 H new ATOM 439 N MET A 36 2.872 -0.142 7.842 1.00 0.00 N ATOM 440 CA MET A 36 1.481 -0.382 8.185 1.00 0.00 C ATOM 441 C MET A 36 0.541 0.502 7.362 1.00 0.00 C ATOM 442 O MET A 36 -0.661 0.548 7.621 1.00 0.00 O ATOM 443 CB MET A 36 1.257 -0.134 9.678 1.00 0.00 C ATOM 444 CG MET A 36 0.754 -1.355 10.430 1.00 0.00 C ATOM 445 SD MET A 36 0.803 -1.137 12.219 1.00 0.00 S ATOM 446 CE MET A 36 0.116 0.510 12.378 1.00 0.00 C ATOM 0 H MET A 36 3.323 0.582 8.402 1.00 0.00 H new ATOM 0 HA MET A 36 1.254 -1.423 7.953 1.00 0.00 H new ATOM 0 HB2 MET A 36 2.193 0.198 10.127 1.00 0.00 H new ATOM 0 HB3 MET A 36 0.540 0.678 9.799 1.00 0.00 H new ATOM 0 HG2 MET A 36 -0.269 -1.571 10.122 1.00 0.00 H new ATOM 0 HG3 MET A 36 1.358 -2.220 10.156 1.00 0.00 H new ATOM 0 HE1 MET A 36 -0.216 0.668 13.404 1.00 0.00 H new ATOM 0 HE2 MET A 36 0.877 1.248 12.125 1.00 0.00 H new ATOM 0 HE3 MET A 36 -0.732 0.617 11.702 1.00 0.00 H new ATOM 456 N ARG A 37 1.093 1.201 6.374 1.00 0.00 N ATOM 457 CA ARG A 37 0.300 2.079 5.522 1.00 0.00 C ATOM 458 C ARG A 37 1.005 2.301 4.187 1.00 0.00 C ATOM 459 O ARG A 37 1.343 3.428 3.825 1.00 0.00 O ATOM 460 CB ARG A 37 0.052 3.418 6.226 1.00 0.00 C ATOM 461 CG ARG A 37 -1.415 3.804 6.296 1.00 0.00 C ATOM 462 CD ARG A 37 -2.086 3.218 7.528 1.00 0.00 C ATOM 463 NE ARG A 37 -3.052 4.142 8.118 1.00 0.00 N ATOM 464 CZ ARG A 37 -4.001 3.774 8.975 1.00 0.00 C ATOM 465 NH1 ARG A 37 -4.117 2.505 9.344 1.00 0.00 N ATOM 466 NH2 ARG A 37 -4.838 4.679 9.465 1.00 0.00 N ATOM 0 H ARG A 37 2.087 1.176 6.144 1.00 0.00 H new ATOM 0 HA ARG A 37 -0.662 1.604 5.330 1.00 0.00 H new ATOM 0 HB2 ARG A 37 0.455 3.367 7.238 1.00 0.00 H new ATOM 0 HB3 ARG A 37 0.601 4.201 5.703 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -1.506 4.890 6.312 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -1.928 3.454 5.400 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -2.590 2.290 7.259 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -1.327 2.966 8.269 1.00 0.00 H new ATOM 0 HE ARG A 37 -2.996 5.127 7.858 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -3.476 1.805 8.970 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -4.847 2.230 10.001 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -4.754 5.656 9.185 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -5.566 4.398 10.122 1.00 0.00 H new ATOM 480 N LEU A 38 1.234 1.211 3.467 1.00 0.00 N ATOM 481 CA LEU A 38 1.908 1.268 2.181 1.00 0.00 C ATOM 482 C LEU A 38 0.973 1.770 1.090 1.00 0.00 C ATOM 483 O LEU A 38 1.404 2.377 0.109 1.00 0.00 O ATOM 484 CB LEU A 38 2.431 -0.125 1.816 1.00 0.00 C ATOM 485 CG LEU A 38 3.951 -0.321 1.893 1.00 0.00 C ATOM 486 CD1 LEU A 38 4.686 0.917 1.409 1.00 0.00 C ATOM 487 CD2 LEU A 38 4.371 -0.673 3.313 1.00 0.00 C ATOM 0 H LEU A 38 0.960 0.272 3.756 1.00 0.00 H new ATOM 0 HA LEU A 38 2.741 1.967 2.260 1.00 0.00 H new ATOM 0 HB2 LEU A 38 1.958 -0.852 2.476 1.00 0.00 H new ATOM 0 HB3 LEU A 38 2.107 -0.357 0.802 1.00 0.00 H new ATOM 0 HG LEU A 38 4.219 -1.149 1.237 1.00 0.00 H new ATOM 0 HD11 LEU A 38 5.761 0.751 1.474 1.00 0.00 H new ATOM 0 HD12 LEU A 38 4.413 1.121 0.374 1.00 0.00 H new ATOM 0 HD13 LEU A 38 4.412 1.769 2.031 1.00 0.00 H new ATOM 0 HD21 LEU A 38 5.452 -0.809 3.350 1.00 0.00 H new ATOM 0 HD22 LEU A 38 4.083 0.133 3.988 1.00 0.00 H new ATOM 0 HD23 LEU A 38 3.879 -1.596 3.620 1.00 0.00 H new ATOM 499 N GLU A 39 -0.305 1.503 1.274 1.00 0.00 N ATOM 500 CA GLU A 39 -1.332 1.912 0.315 1.00 0.00 C ATOM 501 C GLU A 39 -1.241 3.405 0.021 1.00 0.00 C ATOM 502 O GLU A 39 -1.618 3.861 -1.059 1.00 0.00 O ATOM 503 CB GLU A 39 -2.724 1.569 0.849 1.00 0.00 C ATOM 504 CG GLU A 39 -3.110 2.355 2.089 1.00 0.00 C ATOM 505 CD GLU A 39 -3.894 3.611 1.764 1.00 0.00 C ATOM 506 OE1 GLU A 39 -3.871 4.039 0.591 1.00 0.00 O ATOM 507 OE2 GLU A 39 -4.530 4.168 2.683 1.00 0.00 O ATOM 0 H GLU A 39 -0.667 1.000 2.084 1.00 0.00 H new ATOM 0 HA GLU A 39 -1.162 1.367 -0.614 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -3.460 1.756 0.067 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -2.764 0.504 1.077 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -3.704 1.720 2.746 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -2.208 2.626 2.638 1.00 0.00 H new ATOM 514 N ARG A 40 -0.739 4.163 0.992 1.00 0.00 N ATOM 515 CA ARG A 40 -0.598 5.603 0.839 1.00 0.00 C ATOM 516 C ARG A 40 0.499 5.954 -0.163 1.00 0.00 C ATOM 517 O ARG A 40 0.651 7.114 -0.551 1.00 0.00 O ATOM 518 CB ARG A 40 -0.305 6.259 2.189 1.00 0.00 C ATOM 519 CG ARG A 40 -1.555 6.595 2.986 1.00 0.00 C ATOM 520 CD ARG A 40 -1.537 8.034 3.477 1.00 0.00 C ATOM 521 NE ARG A 40 -2.690 8.340 4.321 1.00 0.00 N ATOM 522 CZ ARG A 40 -3.930 8.477 3.859 1.00 0.00 C ATOM 523 NH1 ARG A 40 -4.184 8.338 2.563 1.00 0.00 N ATOM 524 NH2 ARG A 40 -4.921 8.755 4.696 1.00 0.00 N ATOM 0 H ARG A 40 -0.424 3.801 1.892 1.00 0.00 H new ATOM 0 HA ARG A 40 -1.543 5.987 0.454 1.00 0.00 H new ATOM 0 HB2 ARG A 40 0.324 5.592 2.779 1.00 0.00 H new ATOM 0 HB3 ARG A 40 0.267 7.172 2.023 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -2.437 6.433 2.366 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -1.636 5.920 3.838 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -0.620 8.214 4.038 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -1.525 8.709 2.621 1.00 0.00 H new ATOM 0 HE ARG A 40 -2.535 8.455 5.323 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -3.426 8.125 1.915 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -5.137 8.444 2.216 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -4.732 8.863 5.692 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -5.872 8.860 4.343 1.00 0.00 H new ATOM 538 N HIS A 41 1.256 4.950 -0.580 1.00 0.00 N ATOM 539 CA HIS A 41 2.335 5.148 -1.540 1.00 0.00 C ATOM 540 C HIS A 41 1.866 4.824 -2.950 1.00 0.00 C ATOM 541 O HIS A 41 2.312 5.434 -3.920 1.00 0.00 O ATOM 542 CB HIS A 41 3.533 4.273 -1.179 1.00 0.00 C ATOM 543 CG HIS A 41 4.288 4.760 0.016 1.00 0.00 C ATOM 544 ND1 HIS A 41 5.244 5.750 -0.045 1.00 0.00 N ATOM 545 CD2 HIS A 41 4.218 4.390 1.313 1.00 0.00 C ATOM 546 CE1 HIS A 41 5.727 5.963 1.165 1.00 0.00 C ATOM 547 NE2 HIS A 41 5.117 5.154 2.009 1.00 0.00 N ATOM 0 H HIS A 41 1.143 3.986 -0.268 1.00 0.00 H new ATOM 0 HA HIS A 41 2.635 6.195 -1.504 1.00 0.00 H new ATOM 0 HB2 HIS A 41 3.187 3.257 -0.991 1.00 0.00 H new ATOM 0 HB3 HIS A 41 4.210 4.227 -2.032 1.00 0.00 H new ATOM 0 HD1 HIS A 41 5.533 6.241 -0.891 1.00 0.00 H new ATOM 0 HD2 HIS A 41 3.571 3.630 1.726 1.00 0.00 H new ATOM 0 HE1 HIS A 41 6.493 6.680 1.421 1.00 0.00 H new ATOM 556 N LEU A 42 0.956 3.863 -3.058 1.00 0.00 N ATOM 557 CA LEU A 42 0.420 3.458 -4.336 1.00 0.00 C ATOM 558 C LEU A 42 -0.220 4.627 -5.056 1.00 0.00 C ATOM 559 O LEU A 42 -1.060 5.332 -4.493 1.00 0.00 O ATOM 560 CB LEU A 42 -0.630 2.379 -4.116 1.00 0.00 C ATOM 561 CG LEU A 42 -0.183 0.937 -4.343 1.00 0.00 C ATOM 562 CD1 LEU A 42 -1.391 0.095 -4.687 1.00 0.00 C ATOM 563 CD2 LEU A 42 0.853 0.845 -5.454 1.00 0.00 C ATOM 0 H LEU A 42 0.576 3.350 -2.263 1.00 0.00 H new ATOM 0 HA LEU A 42 1.238 3.079 -4.948 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.999 2.465 -3.094 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -1.472 2.583 -4.777 1.00 0.00 H new ATOM 0 HG LEU A 42 0.281 0.567 -3.429 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -1.081 -0.937 -4.851 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -2.107 0.133 -3.866 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -1.858 0.482 -5.593 1.00 0.00 H new ATOM 0 HD21 LEU A 42 1.150 -0.195 -5.590 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.426 1.225 -6.382 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.727 1.440 -5.187 1.00 0.00 H new ATOM 575 N SER A 43 0.144 4.804 -6.315 1.00 0.00 N ATOM 576 CA SER A 43 -0.439 5.861 -7.111 1.00 0.00 C ATOM 577 C SER A 43 -1.897 5.538 -7.359 1.00 0.00 C ATOM 578 O SER A 43 -2.328 4.397 -7.184 1.00 0.00 O ATOM 579 CB SER A 43 0.287 6.022 -8.437 1.00 0.00 C ATOM 580 OG SER A 43 0.755 7.348 -8.613 1.00 0.00 O ATOM 0 H SER A 43 0.835 4.233 -6.801 1.00 0.00 H new ATOM 0 HA SER A 43 -0.347 6.801 -6.567 1.00 0.00 H new ATOM 0 HB2 SER A 43 1.128 5.329 -8.480 1.00 0.00 H new ATOM 0 HB3 SER A 43 -0.384 5.760 -9.255 1.00 0.00 H new ATOM 0 HG SER A 43 0.079 7.979 -8.289 1.00 0.00 H new ATOM 586 N ALA A 44 -2.651 6.532 -7.767 1.00 0.00 N ATOM 587 CA ALA A 44 -4.063 6.332 -8.039 1.00 0.00 C ATOM 588 C ALA A 44 -4.248 5.316 -9.151 1.00 0.00 C ATOM 589 O ALA A 44 -5.206 4.544 -9.155 1.00 0.00 O ATOM 590 CB ALA A 44 -4.725 7.648 -8.404 1.00 0.00 C ATOM 0 H ALA A 44 -2.317 7.484 -7.918 1.00 0.00 H new ATOM 0 HA ALA A 44 -4.539 5.947 -7.137 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -5.783 7.480 -8.605 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -4.620 8.350 -7.577 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -4.248 8.061 -9.293 1.00 0.00 H new ATOM 596 N GLU A 45 -3.309 5.314 -10.085 1.00 0.00 N ATOM 597 CA GLU A 45 -3.338 4.395 -11.190 1.00 0.00 C ATOM 598 C GLU A 45 -2.956 3.005 -10.715 1.00 0.00 C ATOM 599 O GLU A 45 -3.246 2.010 -11.379 1.00 0.00 O ATOM 600 CB GLU A 45 -2.384 4.855 -12.291 1.00 0.00 C ATOM 601 CG GLU A 45 -2.821 6.136 -12.982 1.00 0.00 C ATOM 602 CD GLU A 45 -2.568 7.370 -12.136 1.00 0.00 C ATOM 603 OE1 GLU A 45 -1.406 7.822 -12.081 1.00 0.00 O ATOM 604 OE2 GLU A 45 -3.532 7.881 -11.529 1.00 0.00 O ATOM 0 H GLU A 45 -2.512 5.951 -10.090 1.00 0.00 H new ATOM 0 HA GLU A 45 -4.349 4.367 -11.597 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -1.393 5.004 -11.862 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -2.294 4.064 -13.035 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -2.289 6.234 -13.929 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -3.883 6.073 -13.218 1.00 0.00 H new ATOM 611 N ASP A 46 -2.296 2.939 -9.557 1.00 0.00 N ATOM 612 CA ASP A 46 -1.879 1.674 -9.011 1.00 0.00 C ATOM 613 C ASP A 46 -2.921 1.106 -8.074 1.00 0.00 C ATOM 614 O ASP A 46 -3.272 -0.061 -8.187 1.00 0.00 O ATOM 615 CB ASP A 46 -0.539 1.785 -8.285 1.00 0.00 C ATOM 616 CG ASP A 46 0.625 1.974 -9.238 1.00 0.00 C ATOM 617 OD1 ASP A 46 0.502 1.572 -10.413 1.00 0.00 O ATOM 618 OD2 ASP A 46 1.660 2.527 -8.808 1.00 0.00 O ATOM 0 H ASP A 46 -2.046 3.750 -8.992 1.00 0.00 H new ATOM 0 HA ASP A 46 -1.759 0.995 -9.855 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -0.575 2.624 -7.590 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -0.376 0.886 -7.691 1.00 0.00 H new ATOM 623 N PHE A 47 -3.428 1.914 -7.146 1.00 0.00 N ATOM 624 CA PHE A 47 -4.436 1.415 -6.227 1.00 0.00 C ATOM 625 C PHE A 47 -5.626 0.894 -7.008 1.00 0.00 C ATOM 626 O PHE A 47 -6.121 -0.209 -6.777 1.00 0.00 O ATOM 627 CB PHE A 47 -4.885 2.495 -5.246 1.00 0.00 C ATOM 628 CG PHE A 47 -5.930 1.993 -4.301 1.00 0.00 C ATOM 629 CD1 PHE A 47 -7.239 1.845 -4.724 1.00 0.00 C ATOM 630 CD2 PHE A 47 -5.600 1.639 -3.006 1.00 0.00 C ATOM 631 CE1 PHE A 47 -8.203 1.351 -3.872 1.00 0.00 C ATOM 632 CE2 PHE A 47 -6.559 1.147 -2.147 1.00 0.00 C ATOM 633 CZ PHE A 47 -7.865 1.001 -2.584 1.00 0.00 C ATOM 0 H PHE A 47 -3.164 2.890 -7.015 1.00 0.00 H new ATOM 0 HA PHE A 47 -3.994 0.604 -5.648 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -4.024 2.851 -4.679 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -5.277 3.348 -5.800 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -7.508 2.120 -5.733 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -4.581 1.749 -2.664 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -9.221 1.239 -4.214 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -6.293 0.876 -1.136 1.00 0.00 H new ATOM 0 HZ PHE A 47 -8.618 0.613 -1.915 1.00 0.00 H new ATOM 643 N SER A 48 -6.064 1.713 -7.937 1.00 0.00 N ATOM 644 CA SER A 48 -7.195 1.389 -8.794 1.00 0.00 C ATOM 645 C SER A 48 -7.004 0.052 -9.492 1.00 0.00 C ATOM 646 O SER A 48 -7.955 -0.706 -9.684 1.00 0.00 O ATOM 647 CB SER A 48 -7.411 2.493 -9.831 1.00 0.00 C ATOM 648 OG SER A 48 -8.261 3.507 -9.327 1.00 0.00 O ATOM 0 H SER A 48 -5.649 2.626 -8.125 1.00 0.00 H new ATOM 0 HA SER A 48 -8.078 1.314 -8.159 1.00 0.00 H new ATOM 0 HB2 SER A 48 -6.451 2.926 -10.112 1.00 0.00 H new ATOM 0 HB3 SER A 48 -7.845 2.067 -10.735 1.00 0.00 H new ATOM 0 HG SER A 48 -8.382 4.201 -10.008 1.00 0.00 H new ATOM 654 N ARG A 49 -5.773 -0.224 -9.874 1.00 0.00 N ATOM 655 CA ARG A 49 -5.446 -1.460 -10.558 1.00 0.00 C ATOM 656 C ARG A 49 -4.969 -2.537 -9.590 1.00 0.00 C ATOM 657 O ARG A 49 -4.951 -3.724 -9.918 1.00 0.00 O ATOM 658 CB ARG A 49 -4.383 -1.210 -11.625 1.00 0.00 C ATOM 659 CG ARG A 49 -4.875 -0.369 -12.791 1.00 0.00 C ATOM 660 CD ARG A 49 -4.309 -0.862 -14.113 1.00 0.00 C ATOM 661 NE ARG A 49 -3.168 -0.062 -14.553 1.00 0.00 N ATOM 662 CZ ARG A 49 -2.568 -0.212 -15.731 1.00 0.00 C ATOM 663 NH1 ARG A 49 -2.996 -1.129 -16.590 1.00 0.00 N ATOM 664 NH2 ARG A 49 -1.536 0.558 -16.052 1.00 0.00 N ATOM 0 H ARG A 49 -4.977 0.396 -9.721 1.00 0.00 H new ATOM 0 HA ARG A 49 -6.358 -1.821 -11.033 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -3.529 -0.713 -11.165 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -4.028 -2.169 -12.004 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -5.964 -0.398 -12.827 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -4.588 0.671 -12.637 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -4.004 -1.903 -14.011 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -5.088 -0.832 -14.875 1.00 0.00 H new ATOM 0 HE ARG A 49 -2.811 0.653 -13.920 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -3.789 -1.723 -16.348 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -2.532 -1.239 -17.492 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -1.203 1.264 -15.396 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -1.076 0.443 -16.955 1.00 0.00 H new ATOM 678 N VAL A 50 -4.555 -2.103 -8.417 1.00 0.00 N ATOM 679 CA VAL A 50 -4.036 -2.987 -7.394 1.00 0.00 C ATOM 680 C VAL A 50 -5.141 -3.644 -6.574 1.00 0.00 C ATOM 681 O VAL A 50 -5.099 -4.846 -6.314 1.00 0.00 O ATOM 682 CB VAL A 50 -3.081 -2.211 -6.470 1.00 0.00 C ATOM 683 CG1 VAL A 50 -2.898 -2.874 -5.116 1.00 0.00 C ATOM 684 CG2 VAL A 50 -1.742 -2.060 -7.154 1.00 0.00 C ATOM 0 H VAL A 50 -4.569 -1.120 -8.145 1.00 0.00 H new ATOM 0 HA VAL A 50 -3.495 -3.787 -7.899 1.00 0.00 H new ATOM 0 HB VAL A 50 -3.529 -1.235 -6.283 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -2.214 -2.280 -4.510 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.862 -2.944 -4.612 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -2.486 -3.874 -5.253 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -1.061 -1.511 -6.504 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -1.327 -3.046 -7.364 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -1.870 -1.514 -8.089 1.00 0.00 H new ATOM 694 N PHE A 51 -6.116 -2.850 -6.150 1.00 0.00 N ATOM 695 CA PHE A 51 -7.206 -3.364 -5.341 1.00 0.00 C ATOM 696 C PHE A 51 -8.536 -3.282 -6.082 1.00 0.00 C ATOM 697 O PHE A 51 -9.594 -3.506 -5.495 1.00 0.00 O ATOM 698 CB PHE A 51 -7.296 -2.581 -4.031 1.00 0.00 C ATOM 699 CG PHE A 51 -5.990 -2.487 -3.295 1.00 0.00 C ATOM 700 CD1 PHE A 51 -5.529 -3.555 -2.542 1.00 0.00 C ATOM 701 CD2 PHE A 51 -5.225 -1.331 -3.349 1.00 0.00 C ATOM 702 CE1 PHE A 51 -4.333 -3.473 -1.858 1.00 0.00 C ATOM 703 CE2 PHE A 51 -4.028 -1.243 -2.663 1.00 0.00 C ATOM 704 CZ PHE A 51 -3.582 -2.315 -1.915 1.00 0.00 C ATOM 0 H PHE A 51 -6.172 -1.852 -6.353 1.00 0.00 H new ATOM 0 HA PHE A 51 -7.001 -4.413 -5.128 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -7.657 -1.575 -4.243 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -8.035 -3.055 -3.384 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -6.112 -4.462 -2.490 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -5.568 -0.490 -3.934 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -3.984 -4.315 -1.278 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -3.442 -0.337 -2.712 1.00 0.00 H new ATOM 0 HZ PHE A 51 -2.648 -2.248 -1.376 1.00 0.00 H new ATOM 714 N ALA A 52 -8.481 -2.972 -7.374 1.00 0.00 N ATOM 715 CA ALA A 52 -9.684 -2.874 -8.182 1.00 0.00 C ATOM 716 C ALA A 52 -10.706 -1.949 -7.533 1.00 0.00 C ATOM 717 O ALA A 52 -11.915 -2.154 -7.647 1.00 0.00 O ATOM 718 CB ALA A 52 -10.243 -4.262 -8.384 1.00 0.00 C ATOM 0 H ALA A 52 -7.615 -2.785 -7.880 1.00 0.00 H new ATOM 0 HA ALA A 52 -9.441 -2.440 -9.152 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -11.148 -4.205 -8.989 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -9.504 -4.881 -8.893 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -10.481 -4.703 -7.416 1.00 0.00 H new ATOM 724 N MET A 53 -10.199 -0.923 -6.859 1.00 0.00 N ATOM 725 CA MET A 53 -11.033 0.056 -6.190 1.00 0.00 C ATOM 726 C MET A 53 -10.430 1.439 -6.356 1.00 0.00 C ATOM 727 O MET A 53 -9.243 1.566 -6.629 1.00 0.00 O ATOM 728 CB MET A 53 -11.154 -0.271 -4.700 1.00 0.00 C ATOM 729 CG MET A 53 -12.392 -1.075 -4.343 1.00 0.00 C ATOM 730 SD MET A 53 -12.024 -2.814 -4.034 1.00 0.00 S ATOM 731 CE MET A 53 -10.736 -2.677 -2.796 1.00 0.00 C ATOM 0 H MET A 53 -9.198 -0.751 -6.764 1.00 0.00 H new ATOM 0 HA MET A 53 -12.026 0.031 -6.638 1.00 0.00 H new ATOM 0 HB2 MET A 53 -10.270 -0.827 -4.387 1.00 0.00 H new ATOM 0 HB3 MET A 53 -11.162 0.660 -4.134 1.00 0.00 H new ATOM 0 HG2 MET A 53 -12.858 -0.643 -3.458 1.00 0.00 H new ATOM 0 HG3 MET A 53 -13.116 -0.999 -5.154 1.00 0.00 H new ATOM 0 HE1 MET A 53 -10.430 -3.674 -2.478 1.00 0.00 H new ATOM 0 HE2 MET A 53 -9.879 -2.152 -3.219 1.00 0.00 H new ATOM 0 HE3 MET A 53 -11.114 -2.122 -1.937 1.00 0.00 H new ATOM 741 N SER A 54 -11.232 2.475 -6.172 1.00 0.00 N ATOM 742 CA SER A 54 -10.728 3.826 -6.292 1.00 0.00 C ATOM 743 C SER A 54 -9.832 4.146 -5.110 1.00 0.00 C ATOM 744 O SER A 54 -9.947 3.539 -4.048 1.00 0.00 O ATOM 745 CB SER A 54 -11.874 4.821 -6.385 1.00 0.00 C ATOM 746 OG SER A 54 -11.942 5.403 -7.676 1.00 0.00 O ATOM 0 H SER A 54 -12.223 2.405 -5.942 1.00 0.00 H new ATOM 0 HA SER A 54 -10.143 3.904 -7.208 1.00 0.00 H new ATOM 0 HB2 SER A 54 -12.815 4.319 -6.159 1.00 0.00 H new ATOM 0 HB3 SER A 54 -11.742 5.603 -5.637 1.00 0.00 H new ATOM 0 HG SER A 54 -11.996 6.378 -7.593 1.00 0.00 H new ATOM 752 N PRO A 55 -8.921 5.102 -5.276 1.00 0.00 N ATOM 753 CA PRO A 55 -8.007 5.491 -4.205 1.00 0.00 C ATOM 754 C PRO A 55 -8.789 6.007 -3.010 1.00 0.00 C ATOM 755 O PRO A 55 -8.491 5.705 -1.850 1.00 0.00 O ATOM 756 CB PRO A 55 -7.155 6.593 -4.849 1.00 0.00 C ATOM 757 CG PRO A 55 -7.308 6.370 -6.318 1.00 0.00 C ATOM 758 CD PRO A 55 -8.706 5.883 -6.500 1.00 0.00 C ATOM 0 HA PRO A 55 -7.399 4.670 -3.825 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -7.503 7.585 -4.559 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -6.112 6.519 -4.542 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -7.137 7.291 -6.875 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -6.586 5.639 -6.682 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -9.416 6.705 -6.589 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -8.812 5.273 -7.397 1.00 0.00 H new ATOM 766 N GLU A 56 -9.819 6.762 -3.327 1.00 0.00 N ATOM 767 CA GLU A 56 -10.705 7.322 -2.348 1.00 0.00 C ATOM 768 C GLU A 56 -11.523 6.231 -1.694 1.00 0.00 C ATOM 769 O GLU A 56 -11.766 6.258 -0.488 1.00 0.00 O ATOM 770 CB GLU A 56 -11.639 8.319 -3.013 1.00 0.00 C ATOM 771 CG GLU A 56 -12.211 7.857 -4.344 1.00 0.00 C ATOM 772 CD GLU A 56 -11.427 8.374 -5.534 1.00 0.00 C ATOM 773 OE1 GLU A 56 -10.208 8.599 -5.389 1.00 0.00 O ATOM 774 OE2 GLU A 56 -12.033 8.553 -6.612 1.00 0.00 O ATOM 0 H GLU A 56 -10.062 7.003 -4.288 1.00 0.00 H new ATOM 0 HA GLU A 56 -10.110 7.826 -1.587 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -12.463 8.535 -2.333 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -11.101 9.254 -3.168 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -12.224 6.767 -4.370 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -13.246 8.190 -4.424 1.00 0.00 H new ATOM 781 N GLU A 57 -11.939 5.262 -2.503 1.00 0.00 N ATOM 782 CA GLU A 57 -12.716 4.145 -2.018 1.00 0.00 C ATOM 783 C GLU A 57 -12.088 3.637 -0.742 1.00 0.00 C ATOM 784 O GLU A 57 -12.753 3.424 0.270 1.00 0.00 O ATOM 785 CB GLU A 57 -12.768 3.049 -3.078 1.00 0.00 C ATOM 786 CG GLU A 57 -14.064 3.028 -3.872 1.00 0.00 C ATOM 787 CD GLU A 57 -15.101 2.100 -3.271 1.00 0.00 C ATOM 788 OE1 GLU A 57 -14.729 0.980 -2.862 1.00 0.00 O ATOM 789 OE2 GLU A 57 -16.285 2.494 -3.206 1.00 0.00 O ATOM 0 H GLU A 57 -11.745 5.235 -3.504 1.00 0.00 H new ATOM 0 HA GLU A 57 -13.739 4.458 -1.811 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -11.933 3.181 -3.766 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -12.633 2.081 -2.595 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -14.471 4.038 -3.922 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -13.854 2.718 -4.895 1.00 0.00 H new ATOM 796 N PHE A 58 -10.785 3.507 -0.814 1.00 0.00 N ATOM 797 CA PHE A 58 -9.981 3.082 0.314 1.00 0.00 C ATOM 798 C PHE A 58 -10.101 4.092 1.441 1.00 0.00 C ATOM 799 O PHE A 58 -10.297 3.726 2.599 1.00 0.00 O ATOM 800 CB PHE A 58 -8.513 2.935 -0.087 1.00 0.00 C ATOM 801 CG PHE A 58 -7.886 1.687 0.454 1.00 0.00 C ATOM 802 CD1 PHE A 58 -8.523 0.475 0.304 1.00 0.00 C ATOM 803 CD2 PHE A 58 -6.671 1.725 1.115 1.00 0.00 C ATOM 804 CE1 PHE A 58 -7.966 -0.683 0.798 1.00 0.00 C ATOM 805 CE2 PHE A 58 -6.109 0.570 1.614 1.00 0.00 C ATOM 806 CZ PHE A 58 -6.759 -0.633 1.454 1.00 0.00 C ATOM 0 H PHE A 58 -10.247 3.693 -1.660 1.00 0.00 H new ATOM 0 HA PHE A 58 -10.348 2.112 0.650 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -8.437 2.933 -1.174 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -7.955 3.801 0.270 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -9.473 0.433 -0.208 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -6.159 2.668 1.241 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -8.475 -1.627 0.671 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -5.161 0.608 2.129 1.00 0.00 H new ATOM 0 HZ PHE A 58 -6.320 -1.539 1.845 1.00 0.00 H new ATOM 816 N GLY A 59 -9.995 5.374 1.089 1.00 0.00 N ATOM 817 CA GLY A 59 -10.110 6.415 2.090 1.00 0.00 C ATOM 818 C GLY A 59 -11.402 6.310 2.878 1.00 0.00 C ATOM 819 O GLY A 59 -11.509 6.837 3.984 1.00 0.00 O ATOM 0 H GLY A 59 -9.833 5.704 0.137 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -9.263 6.355 2.774 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -10.060 7.390 1.606 1.00 0.00 H new ATOM 823 N LYS A 60 -12.391 5.629 2.299 1.00 0.00 N ATOM 824 CA LYS A 60 -13.678 5.459 2.938 1.00 0.00 C ATOM 825 C LYS A 60 -13.794 4.107 3.633 1.00 0.00 C ATOM 826 O LYS A 60 -14.511 3.966 4.624 1.00 0.00 O ATOM 827 CB LYS A 60 -14.808 5.628 1.919 1.00 0.00 C ATOM 828 CG LYS A 60 -15.427 7.016 1.923 1.00 0.00 C ATOM 829 CD LYS A 60 -14.388 8.092 1.650 1.00 0.00 C ATOM 830 CE LYS A 60 -14.155 8.278 0.160 1.00 0.00 C ATOM 831 NZ LYS A 60 -13.279 9.447 -0.125 1.00 0.00 N ATOM 0 H LYS A 60 -12.316 5.187 1.383 1.00 0.00 H new ATOM 0 HA LYS A 60 -13.766 6.232 3.702 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -14.422 5.414 0.922 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -15.585 4.892 2.125 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -16.212 7.067 1.168 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -15.899 7.202 2.888 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -14.716 9.035 2.088 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -13.449 7.824 2.135 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -13.702 7.376 -0.252 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -15.113 8.411 -0.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -13.626 9.943 -0.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -13.291 10.096 0.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -12.306 9.119 -0.291 1.00 0.00 H new ATOM 845 N LEU A 61 -13.089 3.121 3.105 1.00 0.00 N ATOM 846 CA LEU A 61 -13.108 1.773 3.663 1.00 0.00 C ATOM 847 C LEU A 61 -12.800 1.782 5.154 1.00 0.00 C ATOM 848 O LEU A 61 -12.548 2.830 5.747 1.00 0.00 O ATOM 849 CB LEU A 61 -12.093 0.885 2.946 1.00 0.00 C ATOM 850 CG LEU A 61 -12.372 0.645 1.462 1.00 0.00 C ATOM 851 CD1 LEU A 61 -11.433 -0.412 0.913 1.00 0.00 C ATOM 852 CD2 LEU A 61 -13.818 0.228 1.254 1.00 0.00 C ATOM 0 H LEU A 61 -12.492 3.227 2.285 1.00 0.00 H new ATOM 0 HA LEU A 61 -14.112 1.375 3.518 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -11.106 1.336 3.045 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -12.056 -0.079 3.453 1.00 0.00 H new ATOM 0 HG LEU A 61 -12.200 1.576 0.923 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -11.644 -0.572 -0.144 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -10.402 -0.079 1.031 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -11.578 -1.345 1.457 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -13.999 0.061 0.192 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -14.014 -0.692 1.805 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -14.479 1.015 1.616 1.00 0.00 H new ATOM 864 N ALA A 62 -12.813 0.595 5.743 1.00 0.00 N ATOM 865 CA ALA A 62 -12.521 0.438 7.162 1.00 0.00 C ATOM 866 C ALA A 62 -11.056 0.086 7.361 1.00 0.00 C ATOM 867 O ALA A 62 -10.269 0.141 6.418 1.00 0.00 O ATOM 868 CB ALA A 62 -13.410 -0.633 7.780 1.00 0.00 C ATOM 0 H ALA A 62 -13.024 -0.277 5.258 1.00 0.00 H new ATOM 0 HA ALA A 62 -12.727 1.384 7.662 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -13.175 -0.734 8.840 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -14.456 -0.348 7.666 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -13.236 -1.585 7.278 1.00 0.00 H new ATOM 874 N LEU A 63 -10.695 -0.282 8.581 1.00 0.00 N ATOM 875 CA LEU A 63 -9.317 -0.652 8.878 1.00 0.00 C ATOM 876 C LEU A 63 -9.088 -2.127 8.591 1.00 0.00 C ATOM 877 O LEU A 63 -7.967 -2.560 8.314 1.00 0.00 O ATOM 878 CB LEU A 63 -8.975 -0.332 10.335 1.00 0.00 C ATOM 879 CG LEU A 63 -7.710 0.504 10.534 1.00 0.00 C ATOM 880 CD1 LEU A 63 -6.509 -0.183 9.902 1.00 0.00 C ATOM 881 CD2 LEU A 63 -7.896 1.897 9.950 1.00 0.00 C ATOM 0 H LEU A 63 -11.331 -0.333 9.377 1.00 0.00 H new ATOM 0 HA LEU A 63 -8.659 -0.068 8.234 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -9.816 0.198 10.782 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -8.862 -1.269 10.880 1.00 0.00 H new ATOM 0 HG LEU A 63 -7.526 0.600 11.604 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -5.619 0.427 10.054 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -6.363 -1.159 10.365 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -6.683 -0.310 8.834 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -6.987 2.479 10.100 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -8.105 1.819 8.883 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -8.730 2.392 10.448 1.00 0.00 H new ATOM 893 N TRP A 64 -10.161 -2.887 8.666 1.00 0.00 N ATOM 894 CA TRP A 64 -10.119 -4.308 8.431 1.00 0.00 C ATOM 895 C TRP A 64 -10.128 -4.623 6.942 1.00 0.00 C ATOM 896 O TRP A 64 -9.234 -5.305 6.442 1.00 0.00 O ATOM 897 CB TRP A 64 -11.298 -4.988 9.128 1.00 0.00 C ATOM 898 CG TRP A 64 -12.624 -4.366 8.800 1.00 0.00 C ATOM 899 CD1 TRP A 64 -13.198 -3.278 9.392 1.00 0.00 C ATOM 900 CD2 TRP A 64 -13.542 -4.801 7.796 1.00 0.00 C ATOM 901 NE1 TRP A 64 -14.422 -3.023 8.815 1.00 0.00 N ATOM 902 CE2 TRP A 64 -14.652 -3.944 7.840 1.00 0.00 C ATOM 903 CE3 TRP A 64 -13.530 -5.834 6.868 1.00 0.00 C ATOM 904 CZ2 TRP A 64 -15.741 -4.091 6.992 1.00 0.00 C ATOM 905 CZ3 TRP A 64 -14.611 -5.983 6.020 1.00 0.00 C ATOM 906 CH2 TRP A 64 -15.706 -5.112 6.092 1.00 0.00 C ATOM 0 H TRP A 64 -11.089 -2.531 8.893 1.00 0.00 H new ATOM 0 HA TRP A 64 -9.188 -4.694 8.846 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -11.319 -6.041 8.846 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -11.144 -4.950 10.206 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -12.758 -2.703 10.193 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -15.054 -2.266 9.076 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -12.690 -6.510 6.810 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -16.585 -3.420 7.044 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -14.612 -6.781 5.292 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -16.539 -5.253 5.420 1.00 0.00 H new ATOM 917 N LYS A 65 -11.130 -4.117 6.229 1.00 0.00 N ATOM 918 CA LYS A 65 -11.218 -4.354 4.799 1.00 0.00 C ATOM 919 C LYS A 65 -9.969 -3.816 4.124 1.00 0.00 C ATOM 920 O LYS A 65 -9.436 -4.424 3.198 1.00 0.00 O ATOM 921 CB LYS A 65 -12.490 -3.731 4.201 1.00 0.00 C ATOM 922 CG LYS A 65 -12.868 -2.381 4.769 1.00 0.00 C ATOM 923 CD LYS A 65 -14.210 -1.913 4.221 1.00 0.00 C ATOM 924 CE LYS A 65 -15.182 -1.560 5.334 1.00 0.00 C ATOM 925 NZ LYS A 65 -16.552 -2.078 5.062 1.00 0.00 N ATOM 0 H LYS A 65 -11.882 -3.547 6.616 1.00 0.00 H new ATOM 0 HA LYS A 65 -11.283 -5.428 4.623 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -12.356 -3.631 3.124 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -13.321 -4.419 4.356 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -12.916 -2.441 5.856 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -12.097 -1.651 4.524 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -14.058 -1.043 3.582 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -14.641 -2.696 3.597 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -14.819 -1.971 6.276 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -15.220 -0.477 5.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -17.244 -1.542 5.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -16.769 -1.971 4.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -16.601 -3.084 5.322 1.00 0.00 H new ATOM 939 N ARG A 66 -9.476 -2.692 4.632 1.00 0.00 N ATOM 940 CA ARG A 66 -8.264 -2.094 4.122 1.00 0.00 C ATOM 941 C ARG A 66 -7.105 -3.059 4.326 1.00 0.00 C ATOM 942 O ARG A 66 -6.262 -3.235 3.448 1.00 0.00 O ATOM 943 CB ARG A 66 -7.986 -0.790 4.861 1.00 0.00 C ATOM 944 CG ARG A 66 -8.418 0.452 4.100 1.00 0.00 C ATOM 945 CD ARG A 66 -7.437 1.600 4.291 1.00 0.00 C ATOM 946 NE ARG A 66 -6.058 1.130 4.382 1.00 0.00 N ATOM 947 CZ ARG A 66 -5.066 1.835 4.918 1.00 0.00 C ATOM 948 NH1 ARG A 66 -5.290 3.055 5.393 1.00 0.00 N ATOM 949 NH2 ARG A 66 -3.845 1.321 4.981 1.00 0.00 N ATOM 0 H ARG A 66 -9.906 -2.179 5.402 1.00 0.00 H new ATOM 0 HA ARG A 66 -8.379 -1.883 3.059 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -8.499 -0.812 5.822 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -6.918 -0.723 5.071 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -8.501 0.218 3.039 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -9.408 0.759 4.437 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -7.528 2.298 3.458 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -7.694 2.149 5.197 1.00 0.00 H new ATOM 0 HE ARG A 66 -5.842 0.204 4.012 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -6.227 3.456 5.348 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -4.525 3.591 5.803 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -3.667 0.385 4.618 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -3.084 1.862 5.392 1.00 0.00 H new ATOM 963 N ASN A 67 -7.079 -3.686 5.503 1.00 0.00 N ATOM 964 CA ASN A 67 -6.044 -4.634 5.840 1.00 0.00 C ATOM 965 C ASN A 67 -6.146 -5.882 4.968 1.00 0.00 C ATOM 966 O ASN A 67 -5.152 -6.332 4.397 1.00 0.00 O ATOM 967 CB ASN A 67 -6.171 -5.007 7.315 1.00 0.00 C ATOM 968 CG ASN A 67 -5.212 -4.231 8.196 1.00 0.00 C ATOM 969 OD1 ASN A 67 -4.062 -3.997 7.827 1.00 0.00 O ATOM 970 ND2 ASN A 67 -5.684 -3.824 9.370 1.00 0.00 N ATOM 0 H ASN A 67 -7.774 -3.545 6.236 1.00 0.00 H new ATOM 0 HA ASN A 67 -5.070 -4.179 5.659 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -7.193 -4.823 7.646 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -5.985 -6.074 7.434 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -5.086 -3.295 10.005 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -6.645 -4.040 9.636 1.00 0.00 H new ATOM 977 N GLU A 68 -7.351 -6.443 4.877 1.00 0.00 N ATOM 978 CA GLU A 68 -7.576 -7.644 4.088 1.00 0.00 C ATOM 979 C GLU A 68 -7.251 -7.425 2.616 1.00 0.00 C ATOM 980 O GLU A 68 -7.040 -8.380 1.870 1.00 0.00 O ATOM 981 CB GLU A 68 -9.024 -8.116 4.240 1.00 0.00 C ATOM 982 CG GLU A 68 -9.346 -8.649 5.628 1.00 0.00 C ATOM 983 CD GLU A 68 -9.646 -10.136 5.628 1.00 0.00 C ATOM 984 OE1 GLU A 68 -10.135 -10.643 4.598 1.00 0.00 O ATOM 985 OE2 GLU A 68 -9.391 -10.792 6.660 1.00 0.00 O ATOM 0 H GLU A 68 -8.184 -6.082 5.342 1.00 0.00 H new ATOM 0 HA GLU A 68 -6.903 -8.414 4.466 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -9.694 -7.286 4.014 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -9.223 -8.896 3.505 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -8.505 -8.452 6.293 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -10.203 -8.109 6.030 1.00 0.00 H new ATOM 992 N LEU A 69 -7.227 -6.169 2.207 1.00 0.00 N ATOM 993 CA LEU A 69 -6.940 -5.814 0.822 1.00 0.00 C ATOM 994 C LEU A 69 -5.466 -5.507 0.613 1.00 0.00 C ATOM 995 O LEU A 69 -4.821 -6.073 -0.268 1.00 0.00 O ATOM 996 CB LEU A 69 -7.777 -4.604 0.413 1.00 0.00 C ATOM 997 CG LEU A 69 -9.270 -4.883 0.304 1.00 0.00 C ATOM 998 CD1 LEU A 69 -10.043 -3.596 0.058 1.00 0.00 C ATOM 999 CD2 LEU A 69 -9.527 -5.891 -0.801 1.00 0.00 C ATOM 0 H LEU A 69 -7.404 -5.370 2.816 1.00 0.00 H new ATOM 0 HA LEU A 69 -7.197 -6.672 0.200 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.620 -3.806 1.139 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -7.417 -4.236 -0.548 1.00 0.00 H new ATOM 0 HG LEU A 69 -9.619 -5.304 1.247 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -11.107 -3.819 -0.016 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -9.874 -2.906 0.885 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -9.702 -3.139 -0.871 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -10.597 -6.086 -0.874 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -9.166 -5.492 -1.749 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -9.003 -6.820 -0.575 1.00 0.00 H new ATOM 1011 N LYS A 70 -4.943 -4.598 1.420 1.00 0.00 N ATOM 1012 CA LYS A 70 -3.552 -4.195 1.328 1.00 0.00 C ATOM 1013 C LYS A 70 -2.630 -5.407 1.304 1.00 0.00 C ATOM 1014 O LYS A 70 -1.567 -5.377 0.683 1.00 0.00 O ATOM 1015 CB LYS A 70 -3.223 -3.239 2.483 1.00 0.00 C ATOM 1016 CG LYS A 70 -2.420 -3.852 3.622 1.00 0.00 C ATOM 1017 CD LYS A 70 -2.776 -3.219 4.957 1.00 0.00 C ATOM 1018 CE LYS A 70 -1.868 -2.043 5.277 1.00 0.00 C ATOM 1019 NZ LYS A 70 -2.345 -1.281 6.463 1.00 0.00 N ATOM 0 H LYS A 70 -5.469 -4.122 2.153 1.00 0.00 H new ATOM 0 HA LYS A 70 -3.389 -3.666 0.389 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -2.668 -2.390 2.084 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -4.157 -2.848 2.887 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -2.608 -4.925 3.665 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -1.355 -3.722 3.429 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -3.813 -2.884 4.937 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -2.698 -3.966 5.747 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -0.856 -2.405 5.461 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -1.817 -1.378 4.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -1.624 -0.585 6.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -3.230 -0.788 6.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -2.515 -1.937 7.252 1.00 0.00 H new ATOM 1033 N LYS A 71 -3.050 -6.477 1.962 1.00 0.00 N ATOM 1034 CA LYS A 71 -2.262 -7.696 1.981 1.00 0.00 C ATOM 1035 C LYS A 71 -2.327 -8.377 0.630 1.00 0.00 C ATOM 1036 O LYS A 71 -1.380 -9.040 0.205 1.00 0.00 O ATOM 1037 CB LYS A 71 -2.735 -8.643 3.082 1.00 0.00 C ATOM 1038 CG LYS A 71 -4.211 -8.982 2.986 1.00 0.00 C ATOM 1039 CD LYS A 71 -4.611 -10.035 4.006 1.00 0.00 C ATOM 1040 CE LYS A 71 -4.827 -9.426 5.383 1.00 0.00 C ATOM 1041 NZ LYS A 71 -3.695 -9.719 6.304 1.00 0.00 N ATOM 0 H LYS A 71 -3.924 -6.525 2.485 1.00 0.00 H new ATOM 0 HA LYS A 71 -1.227 -7.430 2.194 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -2.154 -9.564 3.035 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -2.535 -8.189 4.053 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -4.803 -8.080 3.142 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -4.438 -9.342 1.982 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -5.525 -10.531 3.679 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -3.837 -10.800 4.063 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -4.947 -8.347 5.288 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -5.752 -9.813 5.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -4.036 -10.291 7.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -2.958 -10.244 5.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -3.299 -8.827 6.662 1.00 0.00 H new ATOM 1055 N LYS A 72 -3.438 -8.179 -0.057 1.00 0.00 N ATOM 1056 CA LYS A 72 -3.619 -8.738 -1.378 1.00 0.00 C ATOM 1057 C LYS A 72 -2.571 -8.165 -2.312 1.00 0.00 C ATOM 1058 O LYS A 72 -2.091 -8.834 -3.228 1.00 0.00 O ATOM 1059 CB LYS A 72 -5.023 -8.447 -1.911 1.00 0.00 C ATOM 1060 CG LYS A 72 -6.133 -8.939 -0.999 1.00 0.00 C ATOM 1061 CD LYS A 72 -6.160 -10.457 -0.924 1.00 0.00 C ATOM 1062 CE LYS A 72 -6.736 -10.940 0.396 1.00 0.00 C ATOM 1063 NZ LYS A 72 -6.488 -12.392 0.614 1.00 0.00 N ATOM 0 H LYS A 72 -4.229 -7.633 0.283 1.00 0.00 H new ATOM 0 HA LYS A 72 -3.504 -9.820 -1.320 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -5.132 -7.372 -2.055 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -5.135 -8.913 -2.890 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -5.994 -8.527 0.000 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -7.093 -8.574 -1.363 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -6.754 -10.852 -1.748 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -5.149 -10.846 -1.045 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -6.296 -10.370 1.214 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -7.809 -10.748 0.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -6.897 -12.681 1.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -6.930 -12.939 -0.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -5.464 -12.572 0.621 1.00 0.00 H new ATOM 1077 N ALA A 73 -2.214 -6.918 -2.049 1.00 0.00 N ATOM 1078 CA ALA A 73 -1.215 -6.225 -2.829 1.00 0.00 C ATOM 1079 C ALA A 73 0.173 -6.363 -2.200 1.00 0.00 C ATOM 1080 O ALA A 73 1.161 -5.898 -2.764 1.00 0.00 O ATOM 1081 CB ALA A 73 -1.592 -4.760 -2.976 1.00 0.00 C ATOM 0 H ALA A 73 -2.610 -6.364 -1.290 1.00 0.00 H new ATOM 0 HA ALA A 73 -1.177 -6.681 -3.818 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -0.833 -4.246 -3.566 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -2.556 -4.681 -3.478 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -1.658 -4.301 -1.990 1.00 0.00 H new ATOM 1087 N SER A 74 0.242 -6.997 -1.026 1.00 0.00 N ATOM 1088 CA SER A 74 1.512 -7.181 -0.327 1.00 0.00 C ATOM 1089 C SER A 74 1.954 -5.884 0.340 1.00 0.00 C ATOM 1090 O SER A 74 3.097 -5.757 0.779 1.00 0.00 O ATOM 1091 CB SER A 74 2.597 -7.673 -1.290 1.00 0.00 C ATOM 1092 OG SER A 74 3.642 -8.327 -0.590 1.00 0.00 O ATOM 0 H SER A 74 -0.566 -7.390 -0.543 1.00 0.00 H new ATOM 0 HA SER A 74 1.363 -7.937 0.444 1.00 0.00 H new ATOM 0 HB2 SER A 74 2.159 -8.356 -2.018 1.00 0.00 H new ATOM 0 HB3 SER A 74 3.002 -6.829 -1.849 1.00 0.00 H new ATOM 0 HG SER A 74 3.926 -7.773 0.167 1.00 0.00 H new ATOM 1098 N LEU A 75 1.038 -4.923 0.419 1.00 0.00 N ATOM 1099 CA LEU A 75 1.328 -3.640 1.039 1.00 0.00 C ATOM 1100 C LEU A 75 1.245 -3.746 2.559 1.00 0.00 C ATOM 1101 O LEU A 75 1.791 -2.910 3.280 1.00 0.00 O ATOM 1102 CB LEU A 75 0.356 -2.574 0.519 1.00 0.00 C ATOM 1103 CG LEU A 75 0.323 -2.414 -1.004 1.00 0.00 C ATOM 1104 CD1 LEU A 75 -0.318 -1.092 -1.398 1.00 0.00 C ATOM 1105 CD2 LEU A 75 1.728 -2.519 -1.575 1.00 0.00 C ATOM 0 H LEU A 75 0.088 -5.012 0.060 1.00 0.00 H new ATOM 0 HA LEU A 75 2.344 -3.346 0.775 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -0.648 -2.820 0.865 1.00 0.00 H new ATOM 0 HB3 LEU A 75 0.621 -1.615 0.964 1.00 0.00 H new ATOM 0 HG LEU A 75 -0.283 -3.219 -1.420 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -0.329 -1.003 -2.484 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -1.340 -1.056 -1.020 1.00 0.00 H new ATOM 0 HD13 LEU A 75 0.255 -0.268 -0.972 1.00 0.00 H new ATOM 0 HD21 LEU A 75 1.690 -2.404 -2.658 1.00 0.00 H new ATOM 0 HD22 LEU A 75 2.354 -1.735 -1.148 1.00 0.00 H new ATOM 0 HD23 LEU A 75 2.149 -3.494 -1.329 1.00 0.00 H new ATOM 1117 N PHE A 76 0.562 -4.784 3.042 1.00 0.00 N ATOM 1118 CA PHE A 76 0.413 -5.001 4.475 1.00 0.00 C ATOM 1119 C PHE A 76 1.773 -5.071 5.165 1.00 0.00 C ATOM 1120 O PHE A 76 2.634 -5.843 4.693 1.00 0.00 O ATOM 1121 CB PHE A 76 -0.371 -6.289 4.738 1.00 0.00 C ATOM 1122 CG PHE A 76 -1.099 -6.294 6.052 1.00 0.00 C ATOM 1123 CD1 PHE A 76 -0.416 -6.087 7.240 1.00 0.00 C ATOM 1124 CD2 PHE A 76 -2.468 -6.507 6.100 1.00 0.00 C ATOM 1125 CE1 PHE A 76 -1.084 -6.092 8.450 1.00 0.00 C ATOM 1126 CE2 PHE A 76 -3.139 -6.514 7.306 1.00 0.00 C ATOM 1127 CZ PHE A 76 -2.448 -6.307 8.482 1.00 0.00 C ATOM 1128 OXT PHE A 76 1.965 -4.353 6.168 1.00 0.00 O ATOM 0 H PHE A 76 0.105 -5.486 2.460 1.00 0.00 H new ATOM 0 HA PHE A 76 -0.138 -4.155 4.887 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -1.091 -6.437 3.933 1.00 0.00 H new ATOM 0 HB3 PHE A 76 0.316 -7.135 4.710 1.00 0.00 H new ATOM 0 HD1 PHE A 76 0.651 -5.920 7.220 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -3.016 -6.669 5.183 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -0.540 -5.928 9.369 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -4.206 -6.682 7.329 1.00 0.00 H new ATOM 0 HZ PHE A 76 -2.973 -6.313 9.426 1.00 0.00 H new TER 1138 PHE A 76