USER MOD reduce.3.24.130724 H: found=0, std=0, add=655, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 652 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 29 HIS : no HD1:sc= -0.628 X(o=-0.69,f=-0.35) USER MOD Set 1.2: A 51 LYS NZ :NH3+ -107:sc= -0.0617 (180deg=-1.91!) USER MOD Set 2.1: A 2 CYS SG : rot 98:sc= -0.805 USER MOD Set 2.2: A 4 HIS : no HE2:sc= -0.557 X(o=-1.4,f=-0.88) USER MOD Single : A 1 LEU N :NH3+ -144:sc= -0.177 (180deg=-0.78) USER MOD Single : A 7 SER OG : rot 140:sc= 0.0212 USER MOD Single : A 13 MET CE :methyl -151:sc= -0.0731 (180deg=-0.345) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.264) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ -170:sc= -1.33 (180deg=-1.7) USER MOD Single : A 34 THR OG1 : rot 62:sc= 1.07 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= -0.249 X(o=-0.25,f=-0.022) USER MOD Single : A 41 GLN : amide:sc= -0.0909 K(o=-0.091,f=-1.2) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 90:sc= -0.0384 USER MOD Single : A 57 SER OG : rot -51:sc= 0.0225 USER MOD Single : A 58 SER OG : rot 180:sc= 0.0328 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.179) USER MOD Single : A 65 LYS NZ :NH3+ -163:sc= -0.0271 (180deg=-0.276) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.363 K(o=-0.36,f=-1.1) USER MOD Single : A 70 THR OG1 : rot 53:sc= 1.19 USER MOD Single : A 72 LYS NZ :NH3+ -163:sc=-0.00839 (180deg=-0.124) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 3.414 45.766 0.297 1.00 0.00 N ATOM 2 CA LEU A 1 4.186 45.653 -0.974 1.00 0.00 C ATOM 3 C LEU A 1 3.567 44.554 -1.851 1.00 0.00 C ATOM 4 O LEU A 1 2.479 44.103 -1.555 1.00 0.00 O ATOM 5 CB LEU A 1 5.706 45.460 -0.705 1.00 0.00 C ATOM 6 CG LEU A 1 6.299 46.206 0.508 1.00 0.00 C ATOM 7 CD1 LEU A 1 7.791 45.914 0.645 1.00 0.00 C ATOM 8 CD2 LEU A 1 6.103 47.711 0.407 1.00 0.00 C ATOM 0 H1 LEU A 1 3.372 46.763 0.590 1.00 0.00 H new ATOM 0 H2 LEU A 1 2.449 45.407 0.150 1.00 0.00 H new ATOM 0 H3 LEU A 1 3.882 45.207 1.038 1.00 0.00 H new ATOM 0 HA LEU A 1 4.117 46.588 -1.530 1.00 0.00 H new ATOM 0 HB2 LEU A 1 5.895 44.395 -0.574 1.00 0.00 H new ATOM 0 HB3 LEU A 1 6.251 45.773 -1.596 1.00 0.00 H new ATOM 0 HG LEU A 1 5.765 45.844 1.386 1.00 0.00 H new ATOM 0 HD11 LEU A 1 8.189 46.450 1.507 1.00 0.00 H new ATOM 0 HD12 LEU A 1 7.941 44.843 0.783 1.00 0.00 H new ATOM 0 HD13 LEU A 1 8.310 46.240 -0.256 1.00 0.00 H new ATOM 0 HD21 LEU A 1 6.536 48.194 1.283 1.00 0.00 H new ATOM 0 HD22 LEU A 1 6.594 48.082 -0.492 1.00 0.00 H new ATOM 0 HD23 LEU A 1 5.038 47.937 0.358 1.00 0.00 H new ATOM 22 N CYS A 2 4.340 43.967 -2.767 1.00 0.00 N ATOM 23 CA CYS A 2 3.926 42.793 -3.529 1.00 0.00 C ATOM 24 C CYS A 2 5.143 41.880 -3.726 1.00 0.00 C ATOM 25 O CYS A 2 6.294 42.328 -3.771 1.00 0.00 O ATOM 26 CB CYS A 2 3.268 43.160 -4.874 1.00 0.00 C ATOM 27 SG CYS A 2 4.358 44.119 -5.966 1.00 0.00 S ATOM 0 H CYS A 2 5.276 44.297 -3.000 1.00 0.00 H new ATOM 0 HA CYS A 2 3.158 42.265 -2.964 1.00 0.00 H new ATOM 0 HB2 CYS A 2 2.966 42.246 -5.385 1.00 0.00 H new ATOM 0 HB3 CYS A 2 2.361 43.733 -4.683 1.00 0.00 H new ATOM 0 HG CYS A 2 4.910 43.325 -6.834 1.00 0.00 H new ATOM 33 N VAL A 3 4.852 40.588 -3.916 1.00 0.00 N ATOM 34 CA VAL A 3 5.855 39.539 -4.069 1.00 0.00 C ATOM 35 C VAL A 3 5.502 38.748 -5.316 1.00 0.00 C ATOM 36 O VAL A 3 4.338 38.605 -5.689 1.00 0.00 O ATOM 37 CB VAL A 3 6.003 38.583 -2.834 1.00 0.00 C ATOM 38 CG1 VAL A 3 7.361 38.819 -2.185 1.00 0.00 C ATOM 39 CG2 VAL A 3 4.955 38.713 -1.720 1.00 0.00 C ATOM 0 H VAL A 3 3.894 40.241 -3.968 1.00 0.00 H new ATOM 0 HA VAL A 3 6.828 40.024 -4.152 1.00 0.00 H new ATOM 0 HB VAL A 3 5.869 37.589 -3.261 1.00 0.00 H new ATOM 0 HG11 VAL A 3 7.473 38.159 -1.325 1.00 0.00 H new ATOM 0 HG12 VAL A 3 8.150 38.611 -2.907 1.00 0.00 H new ATOM 0 HG13 VAL A 3 7.432 39.856 -1.858 1.00 0.00 H new ATOM 0 HG21 VAL A 3 5.174 37.996 -0.929 1.00 0.00 H new ATOM 0 HG22 VAL A 3 4.981 39.723 -1.312 1.00 0.00 H new ATOM 0 HG23 VAL A 3 3.964 38.512 -2.127 1.00 0.00 H new ATOM 49 N HIS A 4 6.515 38.134 -5.905 1.00 0.00 N ATOM 50 CA HIS A 4 6.427 37.508 -7.224 1.00 0.00 C ATOM 51 C HIS A 4 7.076 36.143 -7.060 1.00 0.00 C ATOM 52 O HIS A 4 8.074 35.986 -6.344 1.00 0.00 O ATOM 53 CB HIS A 4 7.213 38.284 -8.316 1.00 0.00 C ATOM 54 CG HIS A 4 6.955 39.760 -8.419 1.00 0.00 C ATOM 55 ND1 HIS A 4 7.932 40.724 -8.684 1.00 0.00 N ATOM 56 CD2 HIS A 4 5.753 40.383 -8.275 1.00 0.00 C ATOM 57 CE1 HIS A 4 7.296 41.897 -8.700 1.00 0.00 C ATOM 58 NE2 HIS A 4 5.986 41.731 -8.446 1.00 0.00 N ATOM 0 H HIS A 4 7.438 38.053 -5.478 1.00 0.00 H new ATOM 0 HA HIS A 4 5.386 37.477 -7.545 1.00 0.00 H new ATOM 0 HB2 HIS A 4 8.278 38.137 -8.136 1.00 0.00 H new ATOM 0 HB3 HIS A 4 6.988 37.832 -9.282 1.00 0.00 H new ATOM 0 HD1 HIS A 4 8.928 40.564 -8.834 1.00 0.00 H new ATOM 0 HD2 HIS A 4 4.803 39.913 -8.067 1.00 0.00 H new ATOM 0 HE1 HIS A 4 7.769 42.849 -8.891 1.00 0.00 H new ATOM 66 N VAL A 5 6.606 35.170 -7.842 1.00 0.00 N ATOM 67 CA VAL A 5 7.034 33.780 -7.694 1.00 0.00 C ATOM 68 C VAL A 5 7.291 33.239 -9.092 1.00 0.00 C ATOM 69 O VAL A 5 6.530 33.454 -10.041 1.00 0.00 O ATOM 70 CB VAL A 5 6.044 32.882 -6.898 1.00 0.00 C ATOM 71 CG1 VAL A 5 6.327 32.991 -5.389 1.00 0.00 C ATOM 72 CG2 VAL A 5 4.556 33.144 -7.156 1.00 0.00 C ATOM 0 H VAL A 5 5.926 35.321 -8.587 1.00 0.00 H new ATOM 0 HA VAL A 5 7.940 33.759 -7.088 1.00 0.00 H new ATOM 0 HB VAL A 5 6.229 31.874 -7.268 1.00 0.00 H new ATOM 0 HG11 VAL A 5 5.628 32.359 -4.841 1.00 0.00 H new ATOM 0 HG12 VAL A 5 7.347 32.666 -5.186 1.00 0.00 H new ATOM 0 HG13 VAL A 5 6.206 34.026 -5.070 1.00 0.00 H new ATOM 0 HG21 VAL A 5 3.957 32.464 -6.551 1.00 0.00 H new ATOM 0 HG22 VAL A 5 4.316 34.173 -6.890 1.00 0.00 H new ATOM 0 HG23 VAL A 5 4.335 32.981 -8.211 1.00 0.00 H new ATOM 82 N ARG A 6 8.368 32.438 -9.201 1.00 0.00 N ATOM 83 CA ARG A 6 8.891 31.910 -10.473 1.00 0.00 C ATOM 84 C ARG A 6 8.275 30.503 -10.593 1.00 0.00 C ATOM 85 O ARG A 6 7.494 30.090 -9.737 1.00 0.00 O ATOM 86 CB ARG A 6 10.414 31.668 -10.354 1.00 0.00 C ATOM 87 CG ARG A 6 11.295 32.909 -10.199 1.00 0.00 C ATOM 88 CD ARG A 6 11.694 33.555 -11.543 1.00 0.00 C ATOM 89 NE ARG A 6 13.162 33.727 -11.652 1.00 0.00 N ATOM 90 CZ ARG A 6 14.050 32.771 -11.907 1.00 0.00 C ATOM 91 NH1 ARG A 6 13.690 31.530 -12.119 1.00 0.00 N ATOM 92 NH2 ARG A 6 15.327 33.066 -11.940 1.00 0.00 N ATOM 0 H ARG A 6 8.908 32.135 -8.391 1.00 0.00 H new ATOM 0 HA ARG A 6 8.672 32.589 -11.297 1.00 0.00 H new ATOM 0 HB2 ARG A 6 10.590 31.017 -9.498 1.00 0.00 H new ATOM 0 HB3 ARG A 6 10.743 31.125 -11.240 1.00 0.00 H new ATOM 0 HG2 ARG A 6 10.767 33.646 -9.594 1.00 0.00 H new ATOM 0 HG3 ARG A 6 12.199 32.637 -9.654 1.00 0.00 H new ATOM 0 HD2 ARG A 6 11.338 32.934 -12.365 1.00 0.00 H new ATOM 0 HD3 ARG A 6 11.205 34.524 -11.640 1.00 0.00 H new ATOM 0 HE ARG A 6 13.526 34.670 -11.518 1.00 0.00 H new ATOM 0 HH11 ARG A 6 12.703 31.273 -12.091 1.00 0.00 H new ATOM 0 HH12 ARG A 6 14.396 30.820 -12.312 1.00 0.00 H new ATOM 0 HH21 ARG A 6 15.634 34.024 -11.771 1.00 0.00 H new ATOM 0 HH22 ARG A 6 16.014 32.338 -12.135 1.00 0.00 H new ATOM 106 N SER A 7 8.278 30.006 -11.838 1.00 0.00 N ATOM 107 CA SER A 7 7.749 28.669 -12.145 1.00 0.00 C ATOM 108 C SER A 7 6.305 28.873 -12.612 1.00 0.00 C ATOM 109 O SER A 7 5.763 29.973 -12.476 1.00 0.00 O ATOM 110 CB SER A 7 8.050 27.543 -11.157 1.00 0.00 C ATOM 111 OG SER A 7 8.071 26.279 -11.809 1.00 0.00 O ATOM 0 H SER A 7 8.640 30.509 -12.648 1.00 0.00 H new ATOM 0 HA SER A 7 8.319 28.218 -12.957 1.00 0.00 H new ATOM 0 HB2 SER A 7 9.012 27.724 -10.677 1.00 0.00 H new ATOM 0 HB3 SER A 7 7.297 27.536 -10.369 1.00 0.00 H new ATOM 0 HG SER A 7 8.803 25.737 -11.448 1.00 0.00 H new ATOM 117 N GLU A 8 5.563 27.768 -12.682 1.00 0.00 N ATOM 118 CA GLU A 8 4.142 27.800 -13.000 1.00 0.00 C ATOM 119 C GLU A 8 3.438 27.941 -11.647 1.00 0.00 C ATOM 120 O GLU A 8 3.358 27.024 -10.827 1.00 0.00 O ATOM 121 CB GLU A 8 3.732 26.455 -13.674 1.00 0.00 C ATOM 122 CG GLU A 8 4.102 26.472 -15.164 1.00 0.00 C ATOM 123 CD GLU A 8 4.071 25.079 -15.829 1.00 0.00 C ATOM 124 OE1 GLU A 8 3.311 24.200 -15.377 1.00 0.00 O ATOM 125 OE2 GLU A 8 4.844 24.923 -16.800 1.00 0.00 O ATOM 0 H GLU A 8 5.931 26.831 -12.520 1.00 0.00 H new ATOM 0 HA GLU A 8 3.884 28.609 -13.683 1.00 0.00 H new ATOM 0 HB2 GLU A 8 4.233 25.624 -13.177 1.00 0.00 H new ATOM 0 HB3 GLU A 8 2.660 26.295 -13.560 1.00 0.00 H new ATOM 0 HG2 GLU A 8 3.414 27.132 -15.692 1.00 0.00 H new ATOM 0 HG3 GLU A 8 5.100 26.896 -15.276 1.00 0.00 H new ATOM 132 N GLU A 9 2.847 29.121 -11.471 1.00 0.00 N ATOM 133 CA GLU A 9 2.124 29.544 -10.286 1.00 0.00 C ATOM 134 C GLU A 9 0.681 29.837 -10.742 1.00 0.00 C ATOM 135 O GLU A 9 0.441 30.333 -11.844 1.00 0.00 O ATOM 136 CB GLU A 9 2.762 30.794 -9.607 1.00 0.00 C ATOM 137 CG GLU A 9 2.961 32.040 -10.510 1.00 0.00 C ATOM 138 CD GLU A 9 2.064 33.214 -10.123 1.00 0.00 C ATOM 139 OE1 GLU A 9 0.837 33.111 -10.337 1.00 0.00 O ATOM 140 OE2 GLU A 9 2.623 34.238 -9.638 1.00 0.00 O ATOM 0 H GLU A 9 2.864 29.842 -12.193 1.00 0.00 H new ATOM 0 HA GLU A 9 2.156 28.761 -9.529 1.00 0.00 H new ATOM 0 HB2 GLU A 9 2.137 31.081 -8.761 1.00 0.00 H new ATOM 0 HB3 GLU A 9 3.732 30.506 -9.203 1.00 0.00 H new ATOM 0 HG2 GLU A 9 4.003 32.355 -10.458 1.00 0.00 H new ATOM 0 HG3 GLU A 9 2.762 31.765 -11.546 1.00 0.00 H new ATOM 147 N TRP A 10 -0.269 29.527 -9.850 1.00 0.00 N ATOM 148 CA TRP A 10 -1.710 29.620 -10.168 1.00 0.00 C ATOM 149 C TRP A 10 -2.261 30.894 -9.520 1.00 0.00 C ATOM 150 O TRP A 10 -3.237 31.449 -10.021 1.00 0.00 O ATOM 151 CB TRP A 10 -2.480 28.429 -9.579 1.00 0.00 C ATOM 152 CG TRP A 10 -2.103 27.086 -10.112 1.00 0.00 C ATOM 153 CD1 TRP A 10 -1.245 26.223 -9.527 1.00 0.00 C ATOM 154 CD2 TRP A 10 -2.533 26.437 -11.350 1.00 0.00 C ATOM 155 NE1 TRP A 10 -1.118 25.088 -10.305 1.00 0.00 N ATOM 156 CE2 TRP A 10 -1.897 25.165 -11.436 1.00 0.00 C ATOM 157 CE3 TRP A 10 -3.409 26.795 -12.401 1.00 0.00 C ATOM 158 CZ2 TRP A 10 -2.116 24.290 -12.510 1.00 0.00 C ATOM 159 CZ3 TRP A 10 -3.638 25.931 -13.486 1.00 0.00 C ATOM 160 CH2 TRP A 10 -2.991 24.678 -13.540 1.00 0.00 C ATOM 0 H TRP A 10 -0.071 29.209 -8.901 1.00 0.00 H new ATOM 0 HA TRP A 10 -1.830 29.627 -11.251 1.00 0.00 H new ATOM 0 HB2 TRP A 10 -2.335 28.425 -8.499 1.00 0.00 H new ATOM 0 HB3 TRP A 10 -3.544 28.584 -9.757 1.00 0.00 H new ATOM 0 HD1 TRP A 10 -0.734 26.394 -8.591 1.00 0.00 H new ATOM 0 HE1 TRP A 10 -0.522 24.294 -10.070 1.00 0.00 H new ATOM 0 HE3 TRP A 10 -3.912 27.750 -12.369 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 -1.619 23.332 -12.545 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 -4.309 26.226 -14.279 1.00 0.00 H new ATOM 0 HH2 TRP A 10 -3.168 24.016 -14.374 1.00 0.00 H new ATOM 171 N ASP A 11 -1.588 31.411 -8.487 1.00 0.00 N ATOM 172 CA ASP A 11 -1.942 32.621 -7.774 1.00 0.00 C ATOM 173 C ASP A 11 -0.665 33.392 -7.433 1.00 0.00 C ATOM 174 O ASP A 11 0.386 32.798 -7.140 1.00 0.00 O ATOM 175 CB ASP A 11 -2.724 32.244 -6.498 1.00 0.00 C ATOM 176 CG ASP A 11 -3.368 33.460 -5.814 1.00 0.00 C ATOM 177 OD1 ASP A 11 -4.115 34.182 -6.507 1.00 0.00 O ATOM 178 OD2 ASP A 11 -3.137 33.623 -4.596 1.00 0.00 O ATOM 0 H ASP A 11 -0.746 30.970 -8.116 1.00 0.00 H new ATOM 0 HA ASP A 11 -2.575 33.258 -8.391 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -3.500 31.523 -6.753 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -2.050 31.753 -5.796 1.00 0.00 H new ATOM 183 N LEU A 12 -0.802 34.714 -7.274 1.00 0.00 N ATOM 184 CA LEU A 12 0.331 35.599 -7.065 1.00 0.00 C ATOM 185 C LEU A 12 0.405 35.822 -5.550 1.00 0.00 C ATOM 186 O LEU A 12 -0.593 35.885 -4.836 1.00 0.00 O ATOM 187 CB LEU A 12 0.158 36.960 -7.797 1.00 0.00 C ATOM 188 CG LEU A 12 0.197 36.855 -9.338 1.00 0.00 C ATOM 189 CD1 LEU A 12 -1.192 36.639 -9.957 1.00 0.00 C ATOM 190 CD2 LEU A 12 0.789 38.149 -9.940 1.00 0.00 C ATOM 0 H LEU A 12 -1.703 35.191 -7.288 1.00 0.00 H new ATOM 0 HA LEU A 12 1.241 35.155 -7.468 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -0.791 37.404 -7.497 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.945 37.639 -7.469 1.00 0.00 H new ATOM 0 HG LEU A 12 0.816 35.988 -9.570 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.101 36.573 -11.041 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -1.622 35.714 -9.572 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.840 37.476 -9.698 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.813 38.067 -11.027 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.170 39.000 -9.654 1.00 0.00 H new ATOM 0 HD23 LEU A 12 1.802 38.295 -9.565 1.00 0.00 H new ATOM 202 N MET A 13 1.592 36.224 -5.085 1.00 0.00 N ATOM 203 CA MET A 13 1.817 36.365 -3.657 1.00 0.00 C ATOM 204 C MET A 13 1.651 37.876 -3.407 1.00 0.00 C ATOM 205 O MET A 13 1.792 38.732 -4.285 1.00 0.00 O ATOM 206 CB MET A 13 3.279 35.942 -3.272 1.00 0.00 C ATOM 207 CG MET A 13 3.617 34.477 -3.557 1.00 0.00 C ATOM 208 SD MET A 13 2.550 33.240 -2.757 1.00 0.00 S ATOM 209 CE MET A 13 1.715 32.562 -4.226 1.00 0.00 C ATOM 0 H MET A 13 2.395 36.452 -5.671 1.00 0.00 H new ATOM 0 HA MET A 13 1.139 35.742 -3.073 1.00 0.00 H new ATOM 0 HB2 MET A 13 3.981 36.575 -3.815 1.00 0.00 H new ATOM 0 HB3 MET A 13 3.431 36.136 -2.210 1.00 0.00 H new ATOM 0 HG2 MET A 13 3.577 34.319 -4.635 1.00 0.00 H new ATOM 0 HG3 MET A 13 4.646 34.295 -3.246 1.00 0.00 H new ATOM 0 HE1 MET A 13 0.723 32.205 -3.948 1.00 0.00 H new ATOM 0 HE2 MET A 13 1.621 33.341 -4.983 1.00 0.00 H new ATOM 0 HE3 MET A 13 2.300 31.734 -4.627 1.00 0.00 H new ATOM 219 N THR A 14 1.465 38.247 -2.148 1.00 0.00 N ATOM 220 CA THR A 14 1.302 39.637 -1.729 1.00 0.00 C ATOM 221 C THR A 14 2.082 39.818 -0.436 1.00 0.00 C ATOM 222 O THR A 14 2.161 38.918 0.408 1.00 0.00 O ATOM 223 CB THR A 14 -0.194 40.075 -1.574 1.00 0.00 C ATOM 224 OG1 THR A 14 -0.242 41.464 -1.342 1.00 0.00 O ATOM 225 CG2 THR A 14 -0.968 39.360 -0.461 1.00 0.00 C ATOM 0 H THR A 14 1.422 37.583 -1.375 1.00 0.00 H new ATOM 0 HA THR A 14 1.692 40.289 -2.510 1.00 0.00 H new ATOM 0 HB THR A 14 -0.684 39.793 -2.506 1.00 0.00 H new ATOM 0 HG1 THR A 14 -1.175 41.747 -1.245 1.00 0.00 H new ATOM 0 HG21 THR A 14 -1.992 39.732 -0.434 1.00 0.00 H new ATOM 0 HG22 THR A 14 -0.976 38.287 -0.655 1.00 0.00 H new ATOM 0 HG23 THR A 14 -0.487 39.552 0.498 1.00 0.00 H new ATOM 233 N PHE A 15 2.621 41.026 -0.220 1.00 0.00 N ATOM 234 CA PHE A 15 3.547 41.236 0.888 1.00 0.00 C ATOM 235 C PHE A 15 2.674 41.953 1.911 1.00 0.00 C ATOM 236 O PHE A 15 2.488 43.177 1.908 1.00 0.00 O ATOM 237 CB PHE A 15 4.746 42.136 0.488 1.00 0.00 C ATOM 238 CG PHE A 15 5.849 42.163 1.538 1.00 0.00 C ATOM 239 CD1 PHE A 15 6.861 41.183 1.506 1.00 0.00 C ATOM 240 CD2 PHE A 15 5.862 43.133 2.558 1.00 0.00 C ATOM 241 CE1 PHE A 15 7.897 41.203 2.464 1.00 0.00 C ATOM 242 CE2 PHE A 15 6.888 43.153 3.516 1.00 0.00 C ATOM 243 CZ PHE A 15 7.910 42.193 3.454 1.00 0.00 C ATOM 0 H PHE A 15 2.434 41.853 -0.787 1.00 0.00 H new ATOM 0 HA PHE A 15 3.993 40.307 1.243 1.00 0.00 H new ATOM 0 HB2 PHE A 15 5.160 41.781 -0.456 1.00 0.00 H new ATOM 0 HB3 PHE A 15 4.389 43.152 0.318 1.00 0.00 H new ATOM 0 HD1 PHE A 15 6.844 40.415 0.747 1.00 0.00 H new ATOM 0 HD2 PHE A 15 5.074 43.870 2.604 1.00 0.00 H new ATOM 0 HE1 PHE A 15 8.677 40.457 2.434 1.00 0.00 H new ATOM 0 HE2 PHE A 15 6.891 43.901 4.295 1.00 0.00 H new ATOM 0 HZ PHE A 15 8.713 42.218 4.176 1.00 0.00 H new ATOM 253 N ASP A 16 2.300 41.151 2.914 1.00 0.00 N ATOM 254 CA ASP A 16 1.330 41.520 3.932 1.00 0.00 C ATOM 255 C ASP A 16 1.611 40.731 5.213 1.00 0.00 C ATOM 256 O ASP A 16 2.410 39.765 5.245 1.00 0.00 O ATOM 257 CB ASP A 16 -0.142 41.284 3.450 1.00 0.00 C ATOM 258 CG ASP A 16 -0.972 42.559 3.640 1.00 0.00 C ATOM 259 OD1 ASP A 16 -1.368 42.786 4.803 1.00 0.00 O ATOM 260 OD2 ASP A 16 -1.141 43.283 2.642 1.00 0.00 O ATOM 0 H ASP A 16 2.675 40.210 3.037 1.00 0.00 H new ATOM 0 HA ASP A 16 1.433 42.587 4.130 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -0.146 40.992 2.400 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -0.589 40.463 4.011 1.00 0.00 H new ATOM 265 N ALA A 17 0.868 41.036 6.276 1.00 0.00 N ATOM 266 CA ALA A 17 1.071 40.458 7.597 1.00 0.00 C ATOM 267 C ALA A 17 -0.311 40.110 8.147 1.00 0.00 C ATOM 268 O ALA A 17 -1.312 40.773 7.916 1.00 0.00 O ATOM 269 CB ALA A 17 1.806 41.424 8.556 1.00 0.00 C ATOM 0 H ALA A 17 0.097 41.703 6.239 1.00 0.00 H new ATOM 0 HA ALA A 17 1.704 39.575 7.516 1.00 0.00 H new ATOM 0 HB1 ALA A 17 1.933 40.946 9.527 1.00 0.00 H new ATOM 0 HB2 ALA A 17 2.784 41.672 8.143 1.00 0.00 H new ATOM 0 HB3 ALA A 17 1.220 42.335 8.674 1.00 0.00 H new ATOM 275 N ASN A 18 -0.334 39.032 8.936 1.00 0.00 N ATOM 276 CA ASN A 18 -1.571 38.452 9.478 1.00 0.00 C ATOM 277 C ASN A 18 -1.756 39.041 10.889 1.00 0.00 C ATOM 278 O ASN A 18 -0.801 39.567 11.470 1.00 0.00 O ATOM 279 CB ASN A 18 -1.405 36.917 9.588 1.00 0.00 C ATOM 280 CG ASN A 18 -1.806 36.178 8.319 1.00 0.00 C ATOM 281 OD1 ASN A 18 -2.665 35.314 8.338 1.00 0.00 O ATOM 282 ND2 ASN A 18 -1.142 36.425 7.209 1.00 0.00 N ATOM 0 H ASN A 18 0.509 38.533 9.220 1.00 0.00 H new ATOM 0 HA ASN A 18 -2.426 38.674 8.840 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -0.366 36.686 9.822 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -2.008 36.552 10.419 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -1.346 35.893 6.363 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -0.423 37.149 7.195 1.00 0.00 H new ATOM 289 N PRO A 19 -2.983 38.971 11.436 1.00 0.00 N ATOM 290 CA PRO A 19 -3.337 39.505 12.742 1.00 0.00 C ATOM 291 C PRO A 19 -2.794 38.573 13.828 1.00 0.00 C ATOM 292 O PRO A 19 -3.556 37.881 14.491 1.00 0.00 O ATOM 293 CB PRO A 19 -4.875 39.626 12.712 1.00 0.00 C ATOM 294 CG PRO A 19 -5.286 38.443 11.839 1.00 0.00 C ATOM 295 CD PRO A 19 -4.178 38.431 10.798 1.00 0.00 C ATOM 0 HA PRO A 19 -2.904 40.480 12.968 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -5.306 39.561 13.711 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -5.199 40.576 12.286 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -5.327 37.512 12.404 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -6.269 38.587 11.390 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -3.998 37.418 10.439 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -4.457 39.031 9.932 1.00 0.00 H new ATOM 303 N TYR A 20 -1.541 38.783 14.254 1.00 0.00 N ATOM 304 CA TYR A 20 -0.751 37.839 15.076 1.00 0.00 C ATOM 305 C TYR A 20 -0.867 36.303 14.858 1.00 0.00 C ATOM 306 O TYR A 20 -0.272 35.504 15.587 1.00 0.00 O ATOM 307 CB TYR A 20 -1.111 38.262 16.521 1.00 0.00 C ATOM 308 CG TYR A 20 -0.272 37.674 17.638 1.00 0.00 C ATOM 309 CD1 TYR A 20 1.042 38.115 17.838 1.00 0.00 C ATOM 310 CD2 TYR A 20 -0.815 36.686 18.485 1.00 0.00 C ATOM 311 CE1 TYR A 20 1.824 37.569 18.874 1.00 0.00 C ATOM 312 CE2 TYR A 20 -0.044 36.140 19.531 1.00 0.00 C ATOM 313 CZ TYR A 20 1.281 36.581 19.730 1.00 0.00 C ATOM 314 OH TYR A 20 2.034 36.056 20.726 1.00 0.00 O ATOM 0 H TYR A 20 -1.029 39.637 14.033 1.00 0.00 H new ATOM 0 HA TYR A 20 0.294 37.934 14.780 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -1.044 39.348 16.583 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -2.152 37.996 16.703 1.00 0.00 H new ATOM 0 HD1 TYR A 20 1.457 38.877 17.195 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -1.828 36.345 18.331 1.00 0.00 H new ATOM 0 HE1 TYR A 20 2.841 37.905 19.016 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -0.467 35.386 20.178 1.00 0.00 H new ATOM 0 HH TYR A 20 1.508 35.392 21.219 1.00 0.00 H new ATOM 324 N ASP A 21 -1.436 35.876 13.739 1.00 0.00 N ATOM 325 CA ASP A 21 -1.582 34.483 13.281 1.00 0.00 C ATOM 326 C ASP A 21 -0.316 33.914 12.620 1.00 0.00 C ATOM 327 O ASP A 21 -0.352 33.235 11.582 1.00 0.00 O ATOM 328 CB ASP A 21 -2.879 34.216 12.524 1.00 0.00 C ATOM 329 CG ASP A 21 -4.162 34.575 13.273 1.00 0.00 C ATOM 330 OD1 ASP A 21 -4.102 34.721 14.507 1.00 0.00 O ATOM 331 OD2 ASP A 21 -5.203 34.603 12.575 1.00 0.00 O ATOM 0 H ASP A 21 -1.840 36.534 13.073 1.00 0.00 H new ATOM 0 HA ASP A 21 -1.689 33.892 14.190 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -2.856 34.776 11.589 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -2.915 33.159 12.262 1.00 0.00 H new ATOM 336 N SER A 22 0.870 34.305 13.105 1.00 0.00 N ATOM 337 CA SER A 22 2.171 33.783 12.675 1.00 0.00 C ATOM 338 C SER A 22 2.351 32.295 13.066 1.00 0.00 C ATOM 339 O SER A 22 3.194 31.624 12.461 1.00 0.00 O ATOM 340 CB SER A 22 3.302 34.594 13.313 1.00 0.00 C ATOM 341 OG SER A 22 3.331 34.420 14.703 1.00 0.00 O ATOM 0 H SER A 22 0.951 35.017 13.831 1.00 0.00 H new ATOM 0 HA SER A 22 2.207 33.868 11.589 1.00 0.00 H new ATOM 0 HB2 SER A 22 4.257 34.289 12.886 1.00 0.00 H new ATOM 0 HB3 SER A 22 3.172 35.651 13.079 1.00 0.00 H new ATOM 0 HG SER A 22 4.064 34.948 15.084 1.00 0.00 H new ATOM 347 N VAL A 23 1.447 31.725 13.876 1.00 0.00 N ATOM 348 CA VAL A 23 1.409 30.302 14.232 1.00 0.00 C ATOM 349 C VAL A 23 0.924 29.484 13.031 1.00 0.00 C ATOM 350 O VAL A 23 1.304 28.327 12.880 1.00 0.00 O ATOM 351 CB VAL A 23 0.530 30.027 15.466 1.00 0.00 C ATOM 352 CG1 VAL A 23 -0.980 30.151 15.167 1.00 0.00 C ATOM 353 CG2 VAL A 23 0.827 28.635 16.041 1.00 0.00 C ATOM 0 H VAL A 23 0.698 32.261 14.315 1.00 0.00 H new ATOM 0 HA VAL A 23 2.422 30.000 14.497 1.00 0.00 H new ATOM 0 HB VAL A 23 0.782 30.793 16.199 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -1.549 29.946 16.074 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -1.201 31.161 14.821 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -1.258 29.434 14.395 1.00 0.00 H new ATOM 0 HG21 VAL A 23 0.196 28.459 16.912 1.00 0.00 H new ATOM 0 HG22 VAL A 23 0.621 27.877 15.285 1.00 0.00 H new ATOM 0 HG23 VAL A 23 1.875 28.579 16.335 1.00 0.00 H new ATOM 363 N LEU A 24 0.191 30.088 12.086 1.00 0.00 N ATOM 364 CA LEU A 24 -0.291 29.420 10.867 1.00 0.00 C ATOM 365 C LEU A 24 0.915 29.014 9.995 1.00 0.00 C ATOM 366 O LEU A 24 0.796 28.084 9.222 1.00 0.00 O ATOM 367 CB LEU A 24 -1.273 30.347 10.119 1.00 0.00 C ATOM 368 CG LEU A 24 -2.047 29.654 8.971 1.00 0.00 C ATOM 369 CD1 LEU A 24 -3.072 28.639 9.504 1.00 0.00 C ATOM 370 CD2 LEU A 24 -2.783 30.718 8.141 1.00 0.00 C ATOM 0 H LEU A 24 -0.088 31.067 12.146 1.00 0.00 H new ATOM 0 HA LEU A 24 -0.835 28.510 11.121 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -1.990 30.751 10.834 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -0.719 31.192 9.711 1.00 0.00 H new ATOM 0 HG LEU A 24 -1.324 29.117 8.357 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -3.594 28.175 8.667 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.557 27.871 10.081 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.793 29.151 10.142 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -3.329 30.234 7.331 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -3.483 31.258 8.779 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -2.060 31.418 7.723 1.00 0.00 H new ATOM 382 N LYS A 25 2.085 29.660 10.132 1.00 0.00 N ATOM 383 CA LYS A 25 3.318 29.322 9.402 1.00 0.00 C ATOM 384 C LYS A 25 3.887 27.985 9.924 1.00 0.00 C ATOM 385 O LYS A 25 3.989 27.040 9.148 1.00 0.00 O ATOM 386 CB LYS A 25 4.320 30.491 9.490 1.00 0.00 C ATOM 387 CG LYS A 25 4.855 30.884 8.107 1.00 0.00 C ATOM 388 CD LYS A 25 5.407 32.324 8.035 1.00 0.00 C ATOM 389 CE LYS A 25 6.880 32.451 8.426 1.00 0.00 C ATOM 390 NZ LYS A 25 7.098 32.302 9.881 1.00 0.00 N ATOM 0 H LYS A 25 2.202 30.449 10.767 1.00 0.00 H new ATOM 0 HA LYS A 25 3.103 29.177 8.343 1.00 0.00 H new ATOM 0 HB2 LYS A 25 3.836 31.352 9.951 1.00 0.00 H new ATOM 0 HB3 LYS A 25 5.152 30.210 10.136 1.00 0.00 H new ATOM 0 HG2 LYS A 25 5.644 30.188 7.823 1.00 0.00 H new ATOM 0 HG3 LYS A 25 4.055 30.775 7.375 1.00 0.00 H new ATOM 0 HD2 LYS A 25 5.278 32.700 7.020 1.00 0.00 H new ATOM 0 HD3 LYS A 25 4.813 32.962 8.689 1.00 0.00 H new ATOM 0 HE2 LYS A 25 7.459 31.694 7.896 1.00 0.00 H new ATOM 0 HE3 LYS A 25 7.255 33.423 8.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 8.043 32.658 10.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 6.377 32.845 10.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 7.027 31.298 10.142 1.00 0.00 H new ATOM 404 N ILE A 26 4.160 27.846 11.221 1.00 0.00 N ATOM 405 CA ILE A 26 4.730 26.619 11.815 1.00 0.00 C ATOM 406 C ILE A 26 3.667 25.490 11.776 1.00 0.00 C ATOM 407 O ILE A 26 4.023 24.356 11.464 1.00 0.00 O ATOM 408 CB ILE A 26 5.257 26.844 13.251 1.00 0.00 C ATOM 409 CG1 ILE A 26 5.794 25.527 13.854 1.00 0.00 C ATOM 410 CG2 ILE A 26 4.226 27.525 14.171 1.00 0.00 C ATOM 411 CD1 ILE A 26 6.431 25.670 15.242 1.00 0.00 C ATOM 0 H ILE A 26 3.993 28.586 11.903 1.00 0.00 H new ATOM 0 HA ILE A 26 5.595 26.325 11.221 1.00 0.00 H new ATOM 0 HB ILE A 26 6.090 27.543 13.177 1.00 0.00 H new ATOM 0 HG12 ILE A 26 4.974 24.812 13.918 1.00 0.00 H new ATOM 0 HG13 ILE A 26 6.533 25.106 13.172 1.00 0.00 H new ATOM 0 HG21 ILE A 26 4.655 27.655 15.165 1.00 0.00 H new ATOM 0 HG22 ILE A 26 3.959 28.499 13.760 1.00 0.00 H new ATOM 0 HG23 ILE A 26 3.333 26.903 14.240 1.00 0.00 H new ATOM 0 HD11 ILE A 26 6.779 24.696 15.585 1.00 0.00 H new ATOM 0 HD12 ILE A 26 7.275 26.357 15.186 1.00 0.00 H new ATOM 0 HD13 ILE A 26 5.692 26.059 15.943 1.00 0.00 H new ATOM 423 N LYS A 27 2.378 25.804 11.954 1.00 0.00 N ATOM 424 CA LYS A 27 1.297 24.825 11.996 1.00 0.00 C ATOM 425 C LYS A 27 0.964 24.326 10.582 1.00 0.00 C ATOM 426 O LYS A 27 0.584 23.165 10.441 1.00 0.00 O ATOM 427 CB LYS A 27 0.058 25.373 12.708 1.00 0.00 C ATOM 428 CG LYS A 27 -0.820 24.235 13.264 1.00 0.00 C ATOM 429 CD LYS A 27 -2.320 24.378 12.975 1.00 0.00 C ATOM 430 CE LYS A 27 -2.959 25.523 13.770 1.00 0.00 C ATOM 431 NZ LYS A 27 -4.426 25.504 13.640 1.00 0.00 N ATOM 0 H LYS A 27 2.056 26.764 12.075 1.00 0.00 H new ATOM 0 HA LYS A 27 1.642 23.973 12.582 1.00 0.00 H new ATOM 0 HB2 LYS A 27 0.365 26.029 13.523 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -0.525 25.978 12.014 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -0.473 23.290 12.846 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -0.676 24.178 14.343 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.467 24.552 11.909 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -2.825 23.443 13.218 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -2.683 25.439 14.821 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -2.572 26.478 13.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -4.833 26.289 14.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -4.687 25.608 12.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -4.795 24.602 14.002 1.00 0.00 H new ATOM 445 N GLU A 28 1.218 25.112 9.536 1.00 0.00 N ATOM 446 CA GLU A 28 1.056 24.669 8.137 1.00 0.00 C ATOM 447 C GLU A 28 2.154 23.650 7.806 1.00 0.00 C ATOM 448 O GLU A 28 1.916 22.742 7.031 1.00 0.00 O ATOM 449 CB GLU A 28 1.176 25.827 7.130 1.00 0.00 C ATOM 450 CG GLU A 28 -0.183 26.487 6.830 1.00 0.00 C ATOM 451 CD GLU A 28 -0.917 25.794 5.673 1.00 0.00 C ATOM 452 OE1 GLU A 28 -1.176 24.577 5.815 1.00 0.00 O ATOM 453 OE2 GLU A 28 -1.217 26.510 4.702 1.00 0.00 O ATOM 0 H GLU A 28 1.542 26.075 9.627 1.00 0.00 H new ATOM 0 HA GLU A 28 0.058 24.240 8.051 1.00 0.00 H new ATOM 0 HB2 GLU A 28 1.862 26.577 7.523 1.00 0.00 H new ATOM 0 HB3 GLU A 28 1.609 25.454 6.202 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -0.806 26.457 7.724 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -0.029 27.538 6.584 1.00 0.00 H new ATOM 460 N HIS A 29 3.329 23.690 8.458 1.00 0.00 N ATOM 461 CA HIS A 29 4.415 22.730 8.248 1.00 0.00 C ATOM 462 C HIS A 29 4.081 21.360 8.856 1.00 0.00 C ATOM 463 O HIS A 29 4.799 20.408 8.576 1.00 0.00 O ATOM 464 CB HIS A 29 5.762 23.228 8.779 1.00 0.00 C ATOM 465 CG HIS A 29 6.962 22.489 8.224 1.00 0.00 C ATOM 466 ND1 HIS A 29 8.150 22.278 8.914 1.00 0.00 N ATOM 467 CD2 HIS A 29 7.074 21.919 6.981 1.00 0.00 C ATOM 468 CE1 HIS A 29 8.927 21.540 8.107 1.00 0.00 C ATOM 469 NE2 HIS A 29 8.314 21.324 6.928 1.00 0.00 N ATOM 0 H HIS A 29 3.549 24.402 9.154 1.00 0.00 H new ATOM 0 HA HIS A 29 4.512 22.622 7.168 1.00 0.00 H new ATOM 0 HB2 HIS A 29 5.862 24.288 8.545 1.00 0.00 H new ATOM 0 HB3 HIS A 29 5.766 23.140 9.865 1.00 0.00 H new ATOM 0 HD2 HIS A 29 6.333 21.934 6.196 1.00 0.00 H new ATOM 0 HE1 HIS A 29 9.908 21.170 8.367 1.00 0.00 H new ATOM 0 HE2 HIS A 29 8.700 20.810 6.136 1.00 0.00 H new ATOM 477 N VAL A 30 3.065 21.232 9.708 1.00 0.00 N ATOM 478 CA VAL A 30 2.652 20.003 10.386 1.00 0.00 C ATOM 479 C VAL A 30 1.285 19.516 9.864 1.00 0.00 C ATOM 480 O VAL A 30 1.053 18.311 9.757 1.00 0.00 O ATOM 481 CB VAL A 30 2.675 20.157 11.908 1.00 0.00 C ATOM 482 CG1 VAL A 30 2.569 18.792 12.593 1.00 0.00 C ATOM 483 CG2 VAL A 30 3.966 20.827 12.399 1.00 0.00 C ATOM 0 H VAL A 30 2.475 22.026 9.958 1.00 0.00 H new ATOM 0 HA VAL A 30 3.382 19.229 10.147 1.00 0.00 H new ATOM 0 HB VAL A 30 1.821 20.784 12.165 1.00 0.00 H new ATOM 0 HG11 VAL A 30 2.587 18.925 13.675 1.00 0.00 H new ATOM 0 HG12 VAL A 30 1.635 18.311 12.302 1.00 0.00 H new ATOM 0 HG13 VAL A 30 3.409 18.167 12.290 1.00 0.00 H new ATOM 0 HG21 VAL A 30 3.939 20.916 13.485 1.00 0.00 H new ATOM 0 HG22 VAL A 30 4.824 20.222 12.105 1.00 0.00 H new ATOM 0 HG23 VAL A 30 4.052 21.819 11.956 1.00 0.00 H new ATOM 493 N ARG A 31 0.436 20.428 9.370 1.00 0.00 N ATOM 494 CA ARG A 31 -0.961 20.169 9.040 1.00 0.00 C ATOM 495 C ARG A 31 -0.952 19.704 7.575 1.00 0.00 C ATOM 496 O ARG A 31 -0.861 20.452 6.625 1.00 0.00 O ATOM 497 CB ARG A 31 -1.759 21.494 9.222 1.00 0.00 C ATOM 498 CG ARG A 31 -3.288 21.376 9.040 1.00 0.00 C ATOM 499 CD ARG A 31 -3.802 21.880 7.690 1.00 0.00 C ATOM 500 NE ARG A 31 -5.249 22.209 7.785 1.00 0.00 N ATOM 501 CZ ARG A 31 -5.921 23.020 6.984 1.00 0.00 C ATOM 502 NH1 ARG A 31 -5.401 23.561 5.913 1.00 0.00 N ATOM 503 NH2 ARG A 31 -7.164 23.322 7.294 1.00 0.00 N ATOM 0 H ARG A 31 0.716 21.391 9.186 1.00 0.00 H new ATOM 0 HA ARG A 31 -1.429 19.416 9.673 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -1.558 21.885 10.219 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -1.381 22.227 8.510 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -3.577 20.332 9.159 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -3.781 21.935 9.835 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -3.240 22.762 7.384 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -3.643 21.120 6.925 1.00 0.00 H new ATOM 0 HE ARG A 31 -5.774 21.767 8.540 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -4.432 23.364 5.661 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -5.964 24.180 5.330 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -7.589 22.933 8.136 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -7.703 23.945 6.692 1.00 0.00 H new ATOM 517 N SER A 32 -0.956 18.364 7.473 1.00 0.00 N ATOM 518 CA SER A 32 -0.809 17.594 6.229 1.00 0.00 C ATOM 519 C SER A 32 0.508 17.865 5.466 1.00 0.00 C ATOM 520 O SER A 32 0.568 17.756 4.246 1.00 0.00 O ATOM 521 CB SER A 32 -2.084 17.748 5.376 1.00 0.00 C ATOM 522 OG SER A 32 -2.296 16.600 4.589 1.00 0.00 O ATOM 0 H SER A 32 -1.066 17.764 8.290 1.00 0.00 H new ATOM 0 HA SER A 32 -0.710 16.541 6.494 1.00 0.00 H new ATOM 0 HB2 SER A 32 -2.944 17.915 6.025 1.00 0.00 H new ATOM 0 HB3 SER A 32 -1.995 18.624 4.734 1.00 0.00 H new ATOM 0 HG SER A 32 -3.110 16.715 4.056 1.00 0.00 H new ATOM 528 N LYS A 33 1.587 18.236 6.189 1.00 0.00 N ATOM 529 CA LYS A 33 2.919 18.595 5.658 1.00 0.00 C ATOM 530 C LYS A 33 4.026 17.707 6.229 1.00 0.00 C ATOM 531 O LYS A 33 4.857 17.217 5.476 1.00 0.00 O ATOM 532 CB LYS A 33 3.232 20.066 5.930 1.00 0.00 C ATOM 533 CG LYS A 33 3.052 21.032 4.754 1.00 0.00 C ATOM 534 CD LYS A 33 3.967 20.685 3.585 1.00 0.00 C ATOM 535 CE LYS A 33 4.393 21.954 2.838 1.00 0.00 C ATOM 536 NZ LYS A 33 5.609 21.708 2.048 1.00 0.00 N ATOM 0 H LYS A 33 1.551 18.296 7.207 1.00 0.00 H new ATOM 0 HA LYS A 33 2.887 18.430 4.581 1.00 0.00 H new ATOM 0 HB2 LYS A 33 2.598 20.404 6.749 1.00 0.00 H new ATOM 0 HB3 LYS A 33 4.263 20.137 6.275 1.00 0.00 H new ATOM 0 HG2 LYS A 33 2.014 21.009 4.421 1.00 0.00 H new ATOM 0 HG3 LYS A 33 3.258 22.050 5.086 1.00 0.00 H new ATOM 0 HD2 LYS A 33 4.849 20.158 3.950 1.00 0.00 H new ATOM 0 HD3 LYS A 33 3.452 20.010 2.901 1.00 0.00 H new ATOM 0 HE2 LYS A 33 3.587 22.284 2.182 1.00 0.00 H new ATOM 0 HE3 LYS A 33 4.573 22.759 3.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 5.977 22.611 1.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 6.328 21.256 2.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 5.383 21.082 1.248 1.00 0.00 H new ATOM 550 N THR A 34 4.027 17.493 7.547 1.00 0.00 N ATOM 551 CA THR A 34 4.991 16.607 8.225 1.00 0.00 C ATOM 552 C THR A 34 4.475 15.168 8.098 1.00 0.00 C ATOM 553 O THR A 34 5.269 14.243 8.000 1.00 0.00 O ATOM 554 CB THR A 34 5.190 16.988 9.705 1.00 0.00 C ATOM 555 OG1 THR A 34 5.973 18.162 9.767 1.00 0.00 O ATOM 556 CG2 THR A 34 5.937 15.954 10.545 1.00 0.00 C ATOM 0 H THR A 34 3.358 17.929 8.182 1.00 0.00 H new ATOM 0 HA THR A 34 5.967 16.709 7.751 1.00 0.00 H new ATOM 0 HB THR A 34 4.183 17.091 10.109 1.00 0.00 H new ATOM 0 HG1 THR A 34 5.502 18.893 9.315 1.00 0.00 H new ATOM 0 HG21 THR A 34 6.026 16.314 11.570 1.00 0.00 H new ATOM 0 HG22 THR A 34 5.387 15.013 10.537 1.00 0.00 H new ATOM 0 HG23 THR A 34 6.932 15.796 10.128 1.00 0.00 H new ATOM 564 N LYS A 35 3.142 14.976 8.030 1.00 0.00 N ATOM 565 CA LYS A 35 2.497 13.659 7.960 1.00 0.00 C ATOM 566 C LYS A 35 2.297 13.238 6.500 1.00 0.00 C ATOM 567 O LYS A 35 2.765 12.172 6.133 1.00 0.00 O ATOM 568 CB LYS A 35 1.139 13.729 8.675 1.00 0.00 C ATOM 569 CG LYS A 35 1.354 13.490 10.179 1.00 0.00 C ATOM 570 CD LYS A 35 0.182 14.015 11.023 1.00 0.00 C ATOM 571 CE LYS A 35 0.640 14.311 12.459 1.00 0.00 C ATOM 572 NZ LYS A 35 0.603 13.113 13.327 1.00 0.00 N ATOM 0 H LYS A 35 2.476 15.749 8.022 1.00 0.00 H new ATOM 0 HA LYS A 35 3.133 12.920 8.446 1.00 0.00 H new ATOM 0 HB2 LYS A 35 0.676 14.702 8.510 1.00 0.00 H new ATOM 0 HB3 LYS A 35 0.460 12.980 8.268 1.00 0.00 H new ATOM 0 HG2 LYS A 35 1.481 12.423 10.361 1.00 0.00 H new ATOM 0 HG3 LYS A 35 2.275 13.980 10.495 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -0.222 14.921 10.570 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -0.622 13.279 11.036 1.00 0.00 H new ATOM 0 HE2 LYS A 35 1.655 14.709 12.438 1.00 0.00 H new ATOM 0 HE3 LYS A 35 0.003 15.085 12.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 0.921 13.368 14.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -0.369 12.746 13.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 1.231 12.382 12.936 1.00 0.00 H new ATOM 586 N VAL A 36 1.808 14.126 5.635 1.00 0.00 N ATOM 587 CA VAL A 36 1.599 13.825 4.216 1.00 0.00 C ATOM 588 C VAL A 36 2.764 14.459 3.433 1.00 0.00 C ATOM 589 O VAL A 36 3.073 15.641 3.633 1.00 0.00 O ATOM 590 CB VAL A 36 0.212 14.328 3.714 1.00 0.00 C ATOM 591 CG1 VAL A 36 0.191 14.912 2.298 1.00 0.00 C ATOM 592 CG2 VAL A 36 -0.783 13.157 3.756 1.00 0.00 C ATOM 0 H VAL A 36 1.545 15.076 5.897 1.00 0.00 H new ATOM 0 HA VAL A 36 1.589 12.747 4.058 1.00 0.00 H new ATOM 0 HB VAL A 36 -0.054 15.146 4.383 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -0.822 15.230 2.051 1.00 0.00 H new ATOM 0 HG12 VAL A 36 0.863 15.769 2.248 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.517 14.153 1.587 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.758 13.496 3.407 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -0.426 12.353 3.112 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.871 12.791 4.779 1.00 0.00 H new ATOM 602 N PRO A 37 3.490 13.673 2.595 1.00 0.00 N ATOM 603 CA PRO A 37 4.564 14.170 1.728 1.00 0.00 C ATOM 604 C PRO A 37 4.011 14.983 0.570 1.00 0.00 C ATOM 605 O PRO A 37 3.099 14.508 -0.109 1.00 0.00 O ATOM 606 CB PRO A 37 5.263 12.931 1.195 1.00 0.00 C ATOM 607 CG PRO A 37 4.171 11.863 1.175 1.00 0.00 C ATOM 608 CD PRO A 37 3.306 12.228 2.386 1.00 0.00 C ATOM 0 HA PRO A 37 5.237 14.825 2.281 1.00 0.00 H new ATOM 0 HB2 PRO A 37 5.671 13.102 0.199 1.00 0.00 H new ATOM 0 HB3 PRO A 37 6.095 12.637 1.835 1.00 0.00 H new ATOM 0 HG2 PRO A 37 3.598 11.889 0.248 1.00 0.00 H new ATOM 0 HG3 PRO A 37 4.587 10.859 1.264 1.00 0.00 H new ATOM 0 HD2 PRO A 37 2.258 11.991 2.203 1.00 0.00 H new ATOM 0 HD3 PRO A 37 3.611 11.664 3.268 1.00 0.00 H new ATOM 616 N VAL A 38 4.186 16.309 0.638 1.00 0.00 N ATOM 617 CA VAL A 38 3.864 17.197 -0.493 1.00 0.00 C ATOM 618 C VAL A 38 2.504 17.771 -0.094 1.00 0.00 C ATOM 619 O VAL A 38 1.586 16.958 -0.036 1.00 0.00 O ATOM 620 CB VAL A 38 4.044 16.748 -1.953 1.00 0.00 C ATOM 621 CG1 VAL A 38 3.732 17.914 -2.881 1.00 0.00 C ATOM 622 CG2 VAL A 38 5.463 16.253 -2.260 1.00 0.00 C ATOM 0 H VAL A 38 4.548 16.792 1.460 1.00 0.00 H new ATOM 0 HA VAL A 38 4.655 17.938 -0.606 1.00 0.00 H new ATOM 0 HB VAL A 38 3.360 15.914 -2.111 1.00 0.00 H new ATOM 0 HG11 VAL A 38 3.859 17.599 -3.917 1.00 0.00 H new ATOM 0 HG12 VAL A 38 2.703 18.239 -2.724 1.00 0.00 H new ATOM 0 HG13 VAL A 38 4.410 18.740 -2.668 1.00 0.00 H new ATOM 0 HG21 VAL A 38 5.525 15.951 -3.305 1.00 0.00 H new ATOM 0 HG22 VAL A 38 6.177 17.055 -2.071 1.00 0.00 H new ATOM 0 HG23 VAL A 38 5.697 15.401 -1.622 1.00 0.00 H new ATOM 632 N GLN A 39 2.289 19.075 -0.007 1.00 0.00 N ATOM 633 CA GLN A 39 0.921 19.580 0.251 1.00 0.00 C ATOM 634 C GLN A 39 0.222 19.857 -1.095 1.00 0.00 C ATOM 635 O GLN A 39 -0.635 19.078 -1.446 1.00 0.00 O ATOM 636 CB GLN A 39 0.985 20.880 1.106 1.00 0.00 C ATOM 637 CG GLN A 39 0.188 20.783 2.414 1.00 0.00 C ATOM 638 CD GLN A 39 -1.301 20.565 2.182 1.00 0.00 C ATOM 639 OE1 GLN A 39 -2.059 21.502 2.031 1.00 0.00 O ATOM 640 NE2 GLN A 39 -1.758 19.323 2.228 1.00 0.00 N ATOM 0 H GLN A 39 3.007 19.793 -0.105 1.00 0.00 H new ATOM 0 HA GLN A 39 0.353 18.832 0.804 1.00 0.00 H new ATOM 0 HB2 GLN A 39 2.026 21.104 1.338 1.00 0.00 H new ATOM 0 HB3 GLN A 39 0.604 21.714 0.517 1.00 0.00 H new ATOM 0 HG2 GLN A 39 0.582 19.963 3.014 1.00 0.00 H new ATOM 0 HG3 GLN A 39 0.331 21.697 2.990 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -1.110 18.546 2.355 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -2.758 19.144 2.136 1.00 0.00 H new ATOM 649 N ASP A 40 0.683 20.866 -1.834 1.00 0.00 N ATOM 650 CA ASP A 40 0.115 21.300 -3.115 1.00 0.00 C ATOM 651 C ASP A 40 1.053 22.348 -3.740 1.00 0.00 C ATOM 652 O ASP A 40 1.394 22.323 -4.922 1.00 0.00 O ATOM 653 CB ASP A 40 -1.248 21.965 -2.895 1.00 0.00 C ATOM 654 CG ASP A 40 -2.377 21.185 -3.573 1.00 0.00 C ATOM 655 OD1 ASP A 40 -2.589 21.441 -4.787 1.00 0.00 O ATOM 656 OD2 ASP A 40 -3.121 20.502 -2.829 1.00 0.00 O ATOM 0 H ASP A 40 1.489 21.424 -1.550 1.00 0.00 H new ATOM 0 HA ASP A 40 0.001 20.431 -3.763 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -1.448 22.039 -1.826 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -1.223 22.982 -3.286 1.00 0.00 H new ATOM 661 N GLN A 41 1.629 23.228 -2.896 1.00 0.00 N ATOM 662 CA GLN A 41 2.326 24.429 -3.336 1.00 0.00 C ATOM 663 C GLN A 41 3.415 24.726 -2.304 1.00 0.00 C ATOM 664 O GLN A 41 3.155 25.181 -1.186 1.00 0.00 O ATOM 665 CB GLN A 41 1.293 25.581 -3.503 1.00 0.00 C ATOM 666 CG GLN A 41 1.761 26.741 -4.420 1.00 0.00 C ATOM 667 CD GLN A 41 0.768 27.143 -5.523 1.00 0.00 C ATOM 668 OE1 GLN A 41 -0.076 26.394 -5.963 1.00 0.00 O ATOM 669 NE2 GLN A 41 0.897 28.346 -6.049 1.00 0.00 N ATOM 0 H GLN A 41 1.617 23.114 -1.883 1.00 0.00 H new ATOM 0 HA GLN A 41 2.806 24.306 -4.307 1.00 0.00 H new ATOM 0 HB2 GLN A 41 0.369 25.167 -3.906 1.00 0.00 H new ATOM 0 HB3 GLN A 41 1.058 25.986 -2.519 1.00 0.00 H new ATOM 0 HG2 GLN A 41 1.964 27.614 -3.800 1.00 0.00 H new ATOM 0 HG3 GLN A 41 2.703 26.456 -4.888 1.00 0.00 H new ATOM 0 HE21 GLN A 41 1.604 28.987 -5.688 1.00 0.00 H new ATOM 0 HE22 GLN A 41 0.290 28.635 -6.816 1.00 0.00 H new ATOM 678 N VAL A 42 4.683 24.575 -2.702 1.00 0.00 N ATOM 679 CA VAL A 42 5.832 24.683 -1.790 1.00 0.00 C ATOM 680 C VAL A 42 6.729 25.800 -2.325 1.00 0.00 C ATOM 681 O VAL A 42 6.925 25.958 -3.529 1.00 0.00 O ATOM 682 CB VAL A 42 6.610 23.325 -1.622 1.00 0.00 C ATOM 683 CG1 VAL A 42 5.683 22.208 -1.107 1.00 0.00 C ATOM 684 CG2 VAL A 42 7.342 22.772 -2.848 1.00 0.00 C ATOM 0 H VAL A 42 4.944 24.374 -3.667 1.00 0.00 H new ATOM 0 HA VAL A 42 5.483 24.922 -0.785 1.00 0.00 H new ATOM 0 HB VAL A 42 7.383 23.605 -0.906 1.00 0.00 H new ATOM 0 HG11 VAL A 42 6.251 21.284 -1.002 1.00 0.00 H new ATOM 0 HG12 VAL A 42 5.272 22.494 -0.139 1.00 0.00 H new ATOM 0 HG13 VAL A 42 4.869 22.055 -1.816 1.00 0.00 H new ATOM 0 HG21 VAL A 42 7.833 21.834 -2.587 1.00 0.00 H new ATOM 0 HG22 VAL A 42 6.626 22.595 -3.650 1.00 0.00 H new ATOM 0 HG23 VAL A 42 8.090 23.492 -3.181 1.00 0.00 H new ATOM 694 N LEU A 43 7.450 26.477 -1.429 1.00 0.00 N ATOM 695 CA LEU A 43 8.354 27.573 -1.845 1.00 0.00 C ATOM 696 C LEU A 43 9.769 27.023 -1.672 1.00 0.00 C ATOM 697 O LEU A 43 10.000 26.041 -0.955 1.00 0.00 O ATOM 698 CB LEU A 43 8.197 28.868 -0.976 1.00 0.00 C ATOM 699 CG LEU A 43 7.326 29.943 -1.660 1.00 0.00 C ATOM 700 CD1 LEU A 43 5.980 30.093 -0.954 1.00 0.00 C ATOM 701 CD2 LEU A 43 8.025 31.309 -1.678 1.00 0.00 C ATOM 0 H LEU A 43 7.433 26.297 -0.425 1.00 0.00 H new ATOM 0 HA LEU A 43 8.122 27.869 -2.868 1.00 0.00 H new ATOM 0 HB2 LEU A 43 7.754 28.604 -0.016 1.00 0.00 H new ATOM 0 HB3 LEU A 43 9.183 29.283 -0.769 1.00 0.00 H new ATOM 0 HG LEU A 43 7.167 29.608 -2.685 1.00 0.00 H new ATOM 0 HD11 LEU A 43 5.388 30.857 -1.458 1.00 0.00 H new ATOM 0 HD12 LEU A 43 5.446 29.143 -0.983 1.00 0.00 H new ATOM 0 HD13 LEU A 43 6.144 30.386 0.083 1.00 0.00 H new ATOM 0 HD21 LEU A 43 7.382 32.040 -2.167 1.00 0.00 H new ATOM 0 HD22 LEU A 43 8.226 31.629 -0.655 1.00 0.00 H new ATOM 0 HD23 LEU A 43 8.965 31.230 -2.224 1.00 0.00 H new ATOM 713 N LEU A 44 10.739 27.739 -2.240 1.00 0.00 N ATOM 714 CA LEU A 44 12.134 27.332 -2.346 1.00 0.00 C ATOM 715 C LEU A 44 12.931 28.636 -2.323 1.00 0.00 C ATOM 716 O LEU A 44 13.021 29.345 -3.314 1.00 0.00 O ATOM 717 CB LEU A 44 12.494 26.578 -3.674 1.00 0.00 C ATOM 718 CG LEU A 44 12.125 25.086 -3.719 1.00 0.00 C ATOM 719 CD1 LEU A 44 10.681 24.819 -4.170 1.00 0.00 C ATOM 720 CD2 LEU A 44 13.046 24.337 -4.681 1.00 0.00 C ATOM 0 H LEU A 44 10.564 28.654 -2.654 1.00 0.00 H new ATOM 0 HA LEU A 44 12.354 26.636 -1.536 1.00 0.00 H new ATOM 0 HB2 LEU A 44 11.995 27.081 -4.502 1.00 0.00 H new ATOM 0 HB3 LEU A 44 13.567 26.673 -3.844 1.00 0.00 H new ATOM 0 HG LEU A 44 12.237 24.734 -2.693 1.00 0.00 H new ATOM 0 HD11 LEU A 44 10.495 23.745 -4.177 1.00 0.00 H new ATOM 0 HD12 LEU A 44 9.989 25.303 -3.481 1.00 0.00 H new ATOM 0 HD13 LEU A 44 10.533 25.219 -5.173 1.00 0.00 H new ATOM 0 HD21 LEU A 44 12.771 23.282 -4.701 1.00 0.00 H new ATOM 0 HD22 LEU A 44 12.946 24.757 -5.682 1.00 0.00 H new ATOM 0 HD23 LEU A 44 14.079 24.437 -4.347 1.00 0.00 H new ATOM 732 N LEU A 45 13.667 28.881 -1.220 1.00 0.00 N ATOM 733 CA LEU A 45 14.498 30.083 -1.077 1.00 0.00 C ATOM 734 C LEU A 45 15.771 29.710 -0.336 1.00 0.00 C ATOM 735 O LEU A 45 15.752 29.278 0.820 1.00 0.00 O ATOM 736 CB LEU A 45 13.828 31.208 -0.243 1.00 0.00 C ATOM 737 CG LEU A 45 13.040 32.272 -1.035 1.00 0.00 C ATOM 738 CD1 LEU A 45 13.962 32.944 -2.064 1.00 0.00 C ATOM 739 CD2 LEU A 45 11.753 31.674 -1.625 1.00 0.00 C ATOM 0 H LEU A 45 13.699 28.256 -0.414 1.00 0.00 H new ATOM 0 HA LEU A 45 14.672 30.453 -2.087 1.00 0.00 H new ATOM 0 HB2 LEU A 45 13.150 30.744 0.474 1.00 0.00 H new ATOM 0 HB3 LEU A 45 14.603 31.715 0.332 1.00 0.00 H new ATOM 0 HG LEU A 45 12.702 33.065 -0.367 1.00 0.00 H new ATOM 0 HD11 LEU A 45 13.400 33.694 -2.620 1.00 0.00 H new ATOM 0 HD12 LEU A 45 14.795 33.422 -1.549 1.00 0.00 H new ATOM 0 HD13 LEU A 45 14.346 32.193 -2.754 1.00 0.00 H new ATOM 0 HD21 LEU A 45 11.215 32.443 -2.179 1.00 0.00 H new ATOM 0 HD22 LEU A 45 12.007 30.854 -2.297 1.00 0.00 H new ATOM 0 HD23 LEU A 45 11.123 31.300 -0.818 1.00 0.00 H new ATOM 751 N GLY A 46 16.904 29.904 -1.024 1.00 0.00 N ATOM 752 CA GLY A 46 18.245 29.651 -0.480 1.00 0.00 C ATOM 753 C GLY A 46 18.594 28.164 -0.445 1.00 0.00 C ATOM 754 O GLY A 46 19.138 27.692 0.555 1.00 0.00 O ATOM 0 H GLY A 46 16.915 30.245 -1.985 1.00 0.00 H new ATOM 0 HA2 GLY A 46 18.983 30.180 -1.083 1.00 0.00 H new ATOM 0 HA3 GLY A 46 18.307 30.059 0.529 1.00 0.00 H new ATOM 758 N SER A 47 18.257 27.431 -1.511 1.00 0.00 N ATOM 759 CA SER A 47 18.431 25.968 -1.631 1.00 0.00 C ATOM 760 C SER A 47 17.656 25.123 -0.619 1.00 0.00 C ATOM 761 O SER A 47 17.869 23.918 -0.505 1.00 0.00 O ATOM 762 CB SER A 47 19.925 25.588 -1.665 1.00 0.00 C ATOM 763 OG SER A 47 20.665 26.452 -2.497 1.00 0.00 O ATOM 0 H SER A 47 17.842 27.847 -2.345 1.00 0.00 H new ATOM 0 HA SER A 47 17.974 25.715 -2.588 1.00 0.00 H new ATOM 0 HB2 SER A 47 20.331 25.620 -0.654 1.00 0.00 H new ATOM 0 HB3 SER A 47 20.031 24.563 -2.019 1.00 0.00 H new ATOM 0 HG SER A 47 21.607 26.182 -2.493 1.00 0.00 H new ATOM 769 N LYS A 48 16.670 25.716 0.070 1.00 0.00 N ATOM 770 CA LYS A 48 15.858 25.082 1.123 1.00 0.00 C ATOM 771 C LYS A 48 14.390 25.404 0.887 1.00 0.00 C ATOM 772 O LYS A 48 14.046 26.457 0.337 1.00 0.00 O ATOM 773 CB LYS A 48 16.351 25.538 2.531 1.00 0.00 C ATOM 774 CG LYS A 48 16.327 27.067 2.725 1.00 0.00 C ATOM 775 CD LYS A 48 16.690 27.566 4.120 1.00 0.00 C ATOM 776 CE LYS A 48 16.823 29.094 4.058 1.00 0.00 C ATOM 777 NZ LYS A 48 16.422 29.740 5.324 1.00 0.00 N ATOM 0 H LYS A 48 16.405 26.687 -0.096 1.00 0.00 H new ATOM 0 HA LYS A 48 15.971 23.999 1.085 1.00 0.00 H new ATOM 0 HB2 LYS A 48 15.727 25.073 3.294 1.00 0.00 H new ATOM 0 HB3 LYS A 48 17.367 25.176 2.686 1.00 0.00 H new ATOM 0 HG2 LYS A 48 17.015 27.516 2.009 1.00 0.00 H new ATOM 0 HG3 LYS A 48 15.329 27.430 2.478 1.00 0.00 H new ATOM 0 HD2 LYS A 48 15.922 27.279 4.839 1.00 0.00 H new ATOM 0 HD3 LYS A 48 17.624 27.115 4.455 1.00 0.00 H new ATOM 0 HE2 LYS A 48 17.855 29.358 3.828 1.00 0.00 H new ATOM 0 HE3 LYS A 48 16.207 29.478 3.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 16.528 30.771 5.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 15.429 29.510 5.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 17.026 29.394 6.097 1.00 0.00 H new ATOM 791 N ILE A 49 13.498 24.636 1.506 1.00 0.00 N ATOM 792 CA ILE A 49 12.056 24.787 1.269 1.00 0.00 C ATOM 793 C ILE A 49 11.643 25.896 2.249 1.00 0.00 C ATOM 794 O ILE A 49 11.869 25.819 3.464 1.00 0.00 O ATOM 795 CB ILE A 49 11.280 23.469 1.606 1.00 0.00 C ATOM 796 CG1 ILE A 49 11.679 22.259 0.714 1.00 0.00 C ATOM 797 CG2 ILE A 49 9.745 23.660 1.546 1.00 0.00 C ATOM 798 CD1 ILE A 49 11.382 22.420 -0.783 1.00 0.00 C ATOM 0 H ILE A 49 13.741 23.904 2.174 1.00 0.00 H new ATOM 0 HA ILE A 49 11.833 25.016 0.227 1.00 0.00 H new ATOM 0 HB ILE A 49 11.576 23.238 2.629 1.00 0.00 H new ATOM 0 HG12 ILE A 49 12.746 22.074 0.838 1.00 0.00 H new ATOM 0 HG13 ILE A 49 11.158 21.373 1.078 1.00 0.00 H new ATOM 0 HG21 ILE A 49 9.251 22.719 1.787 1.00 0.00 H new ATOM 0 HG22 ILE A 49 9.445 24.422 2.265 1.00 0.00 H new ATOM 0 HG23 ILE A 49 9.456 23.974 0.543 1.00 0.00 H new ATOM 0 HD11 ILE A 49 11.698 21.523 -1.315 1.00 0.00 H new ATOM 0 HD12 ILE A 49 10.312 22.570 -0.928 1.00 0.00 H new ATOM 0 HD13 ILE A 49 11.925 23.282 -1.171 1.00 0.00 H new ATOM 810 N LEU A 50 10.896 26.876 1.728 1.00 0.00 N ATOM 811 CA LEU A 50 10.327 27.960 2.523 1.00 0.00 C ATOM 812 C LEU A 50 8.844 27.638 2.721 1.00 0.00 C ATOM 813 O LEU A 50 8.245 26.786 2.036 1.00 0.00 O ATOM 814 CB LEU A 50 10.474 29.354 1.830 1.00 0.00 C ATOM 815 CG LEU A 50 10.801 30.498 2.810 1.00 0.00 C ATOM 816 CD1 LEU A 50 12.224 30.354 3.387 1.00 0.00 C ATOM 817 CD2 LEU A 50 10.627 31.849 2.128 1.00 0.00 C ATOM 0 H LEU A 50 10.670 26.936 0.735 1.00 0.00 H new ATOM 0 HA LEU A 50 10.862 28.028 3.470 1.00 0.00 H new ATOM 0 HB2 LEU A 50 11.260 29.295 1.077 1.00 0.00 H new ATOM 0 HB3 LEU A 50 9.548 29.589 1.306 1.00 0.00 H new ATOM 0 HG LEU A 50 10.101 30.438 3.643 1.00 0.00 H new ATOM 0 HD11 LEU A 50 12.423 31.176 4.074 1.00 0.00 H new ATOM 0 HD12 LEU A 50 12.306 29.407 3.921 1.00 0.00 H new ATOM 0 HD13 LEU A 50 12.950 30.377 2.574 1.00 0.00 H new ATOM 0 HD21 LEU A 50 10.862 32.646 2.834 1.00 0.00 H new ATOM 0 HD22 LEU A 50 11.298 31.913 1.272 1.00 0.00 H new ATOM 0 HD23 LEU A 50 9.596 31.956 1.790 1.00 0.00 H new ATOM 829 N LYS A 51 8.195 28.372 3.621 1.00 0.00 N ATOM 830 CA LYS A 51 6.836 28.055 4.061 1.00 0.00 C ATOM 831 C LYS A 51 5.876 28.883 3.173 1.00 0.00 C ATOM 832 O LYS A 51 6.115 30.080 3.001 1.00 0.00 O ATOM 833 CB LYS A 51 6.645 28.454 5.541 1.00 0.00 C ATOM 834 CG LYS A 51 5.520 27.649 6.223 1.00 0.00 C ATOM 835 CD LYS A 51 6.036 26.372 6.905 1.00 0.00 C ATOM 836 CE LYS A 51 6.729 25.346 6.014 1.00 0.00 C ATOM 837 NZ LYS A 51 5.746 24.614 5.180 1.00 0.00 N ATOM 0 H LYS A 51 8.593 29.200 4.065 1.00 0.00 H new ATOM 0 HA LYS A 51 6.640 26.986 3.972 1.00 0.00 H new ATOM 0 HB2 LYS A 51 7.579 28.298 6.081 1.00 0.00 H new ATOM 0 HB3 LYS A 51 6.416 29.518 5.602 1.00 0.00 H new ATOM 0 HG2 LYS A 51 5.026 28.278 6.964 1.00 0.00 H new ATOM 0 HG3 LYS A 51 4.768 27.381 5.480 1.00 0.00 H new ATOM 0 HD2 LYS A 51 6.733 26.665 7.691 1.00 0.00 H new ATOM 0 HD3 LYS A 51 5.193 25.883 7.393 1.00 0.00 H new ATOM 0 HE2 LYS A 51 7.454 25.847 5.372 1.00 0.00 H new ATOM 0 HE3 LYS A 51 7.285 24.640 6.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 5.638 23.645 5.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 4.828 25.101 5.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 6.081 24.582 4.196 1.00 0.00 H new ATOM 851 N PRO A 52 4.838 28.260 2.589 1.00 0.00 N ATOM 852 CA PRO A 52 3.874 28.918 1.700 1.00 0.00 C ATOM 853 C PRO A 52 2.890 29.780 2.492 1.00 0.00 C ATOM 854 O PRO A 52 1.830 29.327 2.889 1.00 0.00 O ATOM 855 CB PRO A 52 3.202 27.789 0.921 1.00 0.00 C ATOM 856 CG PRO A 52 3.232 26.618 1.901 1.00 0.00 C ATOM 857 CD PRO A 52 4.568 26.824 2.609 1.00 0.00 C ATOM 0 HA PRO A 52 4.351 29.617 1.013 1.00 0.00 H new ATOM 0 HB2 PRO A 52 2.182 28.049 0.636 1.00 0.00 H new ATOM 0 HB3 PRO A 52 3.741 27.558 0.002 1.00 0.00 H new ATOM 0 HG2 PRO A 52 2.394 26.648 2.597 1.00 0.00 H new ATOM 0 HG3 PRO A 52 3.187 25.657 1.389 1.00 0.00 H new ATOM 0 HD2 PRO A 52 4.524 26.453 3.633 1.00 0.00 H new ATOM 0 HD3 PRO A 52 5.362 26.274 2.104 1.00 0.00 H new ATOM 865 N ARG A 53 3.297 31.019 2.815 1.00 0.00 N ATOM 866 CA ARG A 53 2.438 31.999 3.511 1.00 0.00 C ATOM 867 C ARG A 53 2.980 33.420 3.429 1.00 0.00 C ATOM 868 O ARG A 53 2.202 34.367 3.297 1.00 0.00 O ATOM 869 CB ARG A 53 2.331 31.587 4.985 1.00 0.00 C ATOM 870 CG ARG A 53 0.983 32.018 5.573 1.00 0.00 C ATOM 871 CD ARG A 53 0.895 31.565 7.037 1.00 0.00 C ATOM 872 NE ARG A 53 0.533 32.663 7.958 1.00 0.00 N ATOM 873 CZ ARG A 53 1.286 33.705 8.279 1.00 0.00 C ATOM 874 NH1 ARG A 53 2.446 33.938 7.712 1.00 0.00 N ATOM 875 NH2 ARG A 53 0.897 34.504 9.236 1.00 0.00 N ATOM 0 H ARG A 53 4.230 31.372 2.602 1.00 0.00 H new ATOM 0 HA ARG A 53 1.464 31.998 3.022 1.00 0.00 H new ATOM 0 HB2 ARG A 53 2.443 30.507 5.075 1.00 0.00 H new ATOM 0 HB3 ARG A 53 3.143 32.040 5.554 1.00 0.00 H new ATOM 0 HG2 ARG A 53 0.876 33.101 5.509 1.00 0.00 H new ATOM 0 HG3 ARG A 53 0.167 31.582 4.997 1.00 0.00 H new ATOM 0 HD2 ARG A 53 0.156 30.768 7.122 1.00 0.00 H new ATOM 0 HD3 ARG A 53 1.854 31.144 7.340 1.00 0.00 H new ATOM 0 HE ARG A 53 -0.390 32.614 8.390 1.00 0.00 H new ATOM 0 HH11 ARG A 53 2.799 33.305 6.995 1.00 0.00 H new ATOM 0 HH12 ARG A 53 2.994 34.752 7.989 1.00 0.00 H new ATOM 0 HH21 ARG A 53 0.022 34.323 9.728 1.00 0.00 H new ATOM 0 HH22 ARG A 53 1.468 35.309 9.492 1.00 0.00 H new ATOM 889 N ARG A 54 4.301 33.592 3.536 1.00 0.00 N ATOM 890 CA ARG A 54 4.988 34.899 3.547 1.00 0.00 C ATOM 891 C ARG A 54 6.382 34.737 2.912 1.00 0.00 C ATOM 892 O ARG A 54 6.741 33.634 2.501 1.00 0.00 O ATOM 893 CB ARG A 54 5.090 35.432 5.005 1.00 0.00 C ATOM 894 CG ARG A 54 4.939 36.975 5.086 1.00 0.00 C ATOM 895 CD ARG A 54 6.032 37.664 5.922 1.00 0.00 C ATOM 896 NE ARG A 54 5.477 38.656 6.867 1.00 0.00 N ATOM 897 CZ ARG A 54 5.119 38.441 8.126 1.00 0.00 C ATOM 898 NH1 ARG A 54 5.160 37.234 8.656 1.00 0.00 N ATOM 899 NH2 ARG A 54 4.679 39.423 8.864 1.00 0.00 N ATOM 0 H ARG A 54 4.946 32.806 3.620 1.00 0.00 H new ATOM 0 HA ARG A 54 4.421 35.626 2.966 1.00 0.00 H new ATOM 0 HB2 ARG A 54 4.318 34.962 5.615 1.00 0.00 H new ATOM 0 HB3 ARG A 54 6.052 35.142 5.428 1.00 0.00 H new ATOM 0 HG2 ARG A 54 4.954 37.386 4.076 1.00 0.00 H new ATOM 0 HG3 ARG A 54 3.965 37.213 5.512 1.00 0.00 H new ATOM 0 HD2 ARG A 54 6.590 36.910 6.477 1.00 0.00 H new ATOM 0 HD3 ARG A 54 6.739 38.157 5.255 1.00 0.00 H new ATOM 0 HE ARG A 54 5.357 39.605 6.514 1.00 0.00 H new ATOM 0 HH11 ARG A 54 5.472 36.441 8.095 1.00 0.00 H new ATOM 0 HH12 ARG A 54 4.880 37.093 9.627 1.00 0.00 H new ATOM 0 HH21 ARG A 54 4.609 40.363 8.473 1.00 0.00 H new ATOM 0 HH22 ARG A 54 4.405 39.251 9.831 1.00 0.00 H new ATOM 913 N SER A 55 7.201 35.790 3.014 1.00 0.00 N ATOM 914 CA SER A 55 8.537 35.779 2.430 1.00 0.00 C ATOM 915 C SER A 55 9.564 36.027 3.530 1.00 0.00 C ATOM 916 O SER A 55 10.121 35.051 4.026 1.00 0.00 O ATOM 917 CB SER A 55 8.639 36.858 1.322 1.00 0.00 C ATOM 918 OG SER A 55 8.238 36.258 0.115 1.00 0.00 O ATOM 0 H SER A 55 6.958 36.656 3.495 1.00 0.00 H new ATOM 0 HA SER A 55 8.735 34.809 1.974 1.00 0.00 H new ATOM 0 HB2 SER A 55 8.003 37.711 1.557 1.00 0.00 H new ATOM 0 HB3 SER A 55 9.659 37.233 1.244 1.00 0.00 H new ATOM 0 HG SER A 55 7.271 36.369 -0.000 1.00 0.00 H new ATOM 924 N LEU A 56 9.850 37.278 3.890 1.00 0.00 N ATOM 925 CA LEU A 56 10.862 37.668 4.891 1.00 0.00 C ATOM 926 C LEU A 56 10.320 38.558 6.005 1.00 0.00 C ATOM 927 O LEU A 56 9.951 38.054 7.071 1.00 0.00 O ATOM 928 CB LEU A 56 12.103 38.260 4.209 1.00 0.00 C ATOM 929 CG LEU A 56 12.020 38.607 2.700 1.00 0.00 C ATOM 930 CD1 LEU A 56 13.022 39.710 2.357 1.00 0.00 C ATOM 931 CD2 LEU A 56 12.329 37.389 1.816 1.00 0.00 C ATOM 0 H LEU A 56 9.371 38.081 3.483 1.00 0.00 H new ATOM 0 HA LEU A 56 11.164 36.753 5.400 1.00 0.00 H new ATOM 0 HB2 LEU A 56 12.374 39.170 4.745 1.00 0.00 H new ATOM 0 HB3 LEU A 56 12.924 37.555 4.343 1.00 0.00 H new ATOM 0 HG LEU A 56 11.000 38.938 2.506 1.00 0.00 H new ATOM 0 HD11 LEU A 56 12.955 39.945 1.295 1.00 0.00 H new ATOM 0 HD12 LEU A 56 12.796 40.602 2.941 1.00 0.00 H new ATOM 0 HD13 LEU A 56 14.031 39.370 2.590 1.00 0.00 H new ATOM 0 HD21 LEU A 56 12.260 37.674 0.766 1.00 0.00 H new ATOM 0 HD22 LEU A 56 13.336 37.031 2.029 1.00 0.00 H new ATOM 0 HD23 LEU A 56 11.610 36.596 2.024 1.00 0.00 H new ATOM 943 N SER A 57 9.814 39.742 5.623 1.00 0.00 N ATOM 944 CA SER A 57 9.573 40.878 6.547 1.00 0.00 C ATOM 945 C SER A 57 10.441 40.998 7.832 1.00 0.00 C ATOM 946 O SER A 57 9.979 41.326 8.914 1.00 0.00 O ATOM 947 CB SER A 57 8.069 40.705 6.876 1.00 0.00 C ATOM 948 OG SER A 57 7.491 41.902 7.332 1.00 0.00 O ATOM 0 H SER A 57 9.556 39.946 4.657 1.00 0.00 H new ATOM 0 HA SER A 57 9.865 41.810 6.063 1.00 0.00 H new ATOM 0 HB2 SER A 57 7.540 40.362 5.987 1.00 0.00 H new ATOM 0 HB3 SER A 57 7.950 39.932 7.635 1.00 0.00 H new ATOM 0 HG SER A 57 8.033 42.270 8.061 1.00 0.00 H new ATOM 954 N SER A 58 11.674 40.474 7.730 1.00 0.00 N ATOM 955 CA SER A 58 12.718 40.532 8.769 1.00 0.00 C ATOM 956 C SER A 58 13.084 41.930 9.272 1.00 0.00 C ATOM 957 O SER A 58 13.527 42.090 10.406 1.00 0.00 O ATOM 958 CB SER A 58 13.987 39.811 8.296 1.00 0.00 C ATOM 959 OG SER A 58 13.686 38.695 7.467 1.00 0.00 O ATOM 0 H SER A 58 11.983 39.981 6.892 1.00 0.00 H new ATOM 0 HA SER A 58 12.270 40.026 9.625 1.00 0.00 H new ATOM 0 HB2 SER A 58 14.619 40.510 7.748 1.00 0.00 H new ATOM 0 HB3 SER A 58 14.558 39.476 9.162 1.00 0.00 H new ATOM 0 HG SER A 58 14.519 38.263 7.185 1.00 0.00 H new ATOM 965 N TYR A 59 12.857 42.953 8.436 1.00 0.00 N ATOM 966 CA TYR A 59 13.118 44.356 8.706 1.00 0.00 C ATOM 967 C TYR A 59 11.810 45.135 8.458 1.00 0.00 C ATOM 968 O TYR A 59 11.047 44.799 7.544 1.00 0.00 O ATOM 969 CB TYR A 59 14.244 44.883 7.791 1.00 0.00 C ATOM 970 CG TYR A 59 14.906 46.154 8.301 1.00 0.00 C ATOM 971 CD1 TYR A 59 14.296 47.409 8.126 1.00 0.00 C ATOM 972 CD2 TYR A 59 16.137 46.063 8.973 1.00 0.00 C ATOM 973 CE1 TYR A 59 14.897 48.572 8.644 1.00 0.00 C ATOM 974 CE2 TYR A 59 16.748 47.226 9.491 1.00 0.00 C ATOM 975 CZ TYR A 59 16.117 48.480 9.336 1.00 0.00 C ATOM 976 OH TYR A 59 16.697 49.604 9.842 1.00 0.00 O ATOM 0 H TYR A 59 12.465 42.806 7.506 1.00 0.00 H new ATOM 0 HA TYR A 59 13.445 44.487 9.737 1.00 0.00 H new ATOM 0 HB2 TYR A 59 15.003 44.108 7.681 1.00 0.00 H new ATOM 0 HB3 TYR A 59 13.835 45.071 6.798 1.00 0.00 H new ATOM 0 HD1 TYR A 59 13.361 47.481 7.591 1.00 0.00 H new ATOM 0 HD2 TYR A 59 16.616 45.103 9.093 1.00 0.00 H new ATOM 0 HE1 TYR A 59 14.422 49.533 8.510 1.00 0.00 H new ATOM 0 HE2 TYR A 59 17.696 47.157 10.004 1.00 0.00 H new ATOM 0 HH TYR A 59 17.534 49.366 10.292 1.00 0.00 H new ATOM 986 N GLY A 60 11.548 46.132 9.291 1.00 0.00 N ATOM 987 CA GLY A 60 10.409 47.016 9.149 1.00 0.00 C ATOM 988 C GLY A 60 10.659 48.013 8.025 1.00 0.00 C ATOM 989 O GLY A 60 11.335 49.018 8.223 1.00 0.00 O ATOM 0 H GLY A 60 12.134 46.350 10.097 1.00 0.00 H new ATOM 0 HA2 GLY A 60 9.512 46.435 8.937 1.00 0.00 H new ATOM 0 HA3 GLY A 60 10.232 47.547 10.084 1.00 0.00 H new ATOM 993 N ILE A 61 9.955 47.828 6.904 1.00 0.00 N ATOM 994 CA ILE A 61 10.104 48.648 5.695 1.00 0.00 C ATOM 995 C ILE A 61 8.693 49.120 5.292 1.00 0.00 C ATOM 996 O ILE A 61 7.692 48.477 5.579 1.00 0.00 O ATOM 997 CB ILE A 61 10.791 47.906 4.496 1.00 0.00 C ATOM 998 CG1 ILE A 61 10.544 46.382 4.325 1.00 0.00 C ATOM 999 CG2 ILE A 61 12.315 48.125 4.539 1.00 0.00 C ATOM 1000 CD1 ILE A 61 9.074 45.951 4.341 1.00 0.00 C ATOM 0 H ILE A 61 9.254 47.093 6.808 1.00 0.00 H new ATOM 0 HA ILE A 61 10.768 49.480 5.927 1.00 0.00 H new ATOM 0 HB ILE A 61 10.298 48.365 3.639 1.00 0.00 H new ATOM 0 HG12 ILE A 61 10.989 46.062 3.383 1.00 0.00 H new ATOM 0 HG13 ILE A 61 11.069 45.854 5.121 1.00 0.00 H new ATOM 0 HG21 ILE A 61 12.781 47.605 3.702 1.00 0.00 H new ATOM 0 HG22 ILE A 61 12.531 49.191 4.470 1.00 0.00 H new ATOM 0 HG23 ILE A 61 12.713 47.734 5.476 1.00 0.00 H new ATOM 0 HD11 ILE A 61 9.010 44.870 4.215 1.00 0.00 H new ATOM 0 HD12 ILE A 61 8.623 46.232 5.292 1.00 0.00 H new ATOM 0 HD13 ILE A 61 8.542 46.443 3.527 1.00 0.00 H new ATOM 1012 N ASP A 62 8.666 50.199 4.501 1.00 0.00 N ATOM 1013 CA ASP A 62 7.441 50.928 4.105 1.00 0.00 C ATOM 1014 C ASP A 62 7.560 51.510 2.693 1.00 0.00 C ATOM 1015 O ASP A 62 6.559 51.527 1.966 1.00 0.00 O ATOM 1016 CB ASP A 62 7.101 52.126 4.998 1.00 0.00 C ATOM 1017 CG ASP A 62 6.616 51.712 6.381 1.00 0.00 C ATOM 1018 OD1 ASP A 62 5.388 51.505 6.507 1.00 0.00 O ATOM 1019 OD2 ASP A 62 7.481 51.625 7.274 1.00 0.00 O ATOM 0 H ASP A 62 9.514 50.605 4.105 1.00 0.00 H new ATOM 0 HA ASP A 62 6.664 50.168 4.186 1.00 0.00 H new ATOM 0 HB2 ASP A 62 7.983 52.758 5.101 1.00 0.00 H new ATOM 0 HB3 ASP A 62 6.332 52.728 4.513 1.00 0.00 H new ATOM 1024 N LYS A 63 8.767 51.521 2.095 1.00 0.00 N ATOM 1025 CA LYS A 63 8.914 52.062 0.734 1.00 0.00 C ATOM 1026 C LYS A 63 8.534 50.889 -0.168 1.00 0.00 C ATOM 1027 O LYS A 63 8.823 49.730 0.119 1.00 0.00 O ATOM 1028 CB LYS A 63 10.410 52.445 0.457 1.00 0.00 C ATOM 1029 CG LYS A 63 10.694 53.937 0.699 1.00 0.00 C ATOM 1030 CD LYS A 63 11.569 54.258 1.916 1.00 0.00 C ATOM 1031 CE LYS A 63 13.075 54.130 1.625 1.00 0.00 C ATOM 1032 NZ LYS A 63 13.564 52.739 1.715 1.00 0.00 N ATOM 0 H LYS A 63 9.628 51.173 2.518 1.00 0.00 H new ATOM 0 HA LYS A 63 8.308 52.954 0.576 1.00 0.00 H new ATOM 0 HB2 LYS A 63 11.059 51.847 1.097 1.00 0.00 H new ATOM 0 HB3 LYS A 63 10.660 52.194 -0.574 1.00 0.00 H new ATOM 0 HG2 LYS A 63 11.176 54.345 -0.190 1.00 0.00 H new ATOM 0 HG3 LYS A 63 9.742 54.456 0.812 1.00 0.00 H new ATOM 0 HD2 LYS A 63 11.355 55.272 2.253 1.00 0.00 H new ATOM 0 HD3 LYS A 63 11.304 53.588 2.734 1.00 0.00 H new ATOM 0 HE2 LYS A 63 13.281 54.518 0.627 1.00 0.00 H new ATOM 0 HE3 LYS A 63 13.630 54.751 2.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 14.604 52.735 1.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 13.233 52.311 2.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 13.200 52.190 0.910 1.00 0.00 H new ATOM 1046 N GLU A 64 8.093 51.240 -1.377 1.00 0.00 N ATOM 1047 CA GLU A 64 7.466 50.261 -2.273 1.00 0.00 C ATOM 1048 C GLU A 64 8.668 49.513 -2.878 1.00 0.00 C ATOM 1049 O GLU A 64 9.537 50.032 -3.561 1.00 0.00 O ATOM 1050 CB GLU A 64 6.640 50.959 -3.399 1.00 0.00 C ATOM 1051 CG GLU A 64 7.263 52.223 -4.031 1.00 0.00 C ATOM 1052 CD GLU A 64 6.826 52.437 -5.491 1.00 0.00 C ATOM 1053 OE1 GLU A 64 7.099 51.529 -6.313 1.00 0.00 O ATOM 1054 OE2 GLU A 64 6.224 53.512 -5.767 1.00 0.00 O ATOM 0 H GLU A 64 8.156 52.184 -1.758 1.00 0.00 H new ATOM 0 HA GLU A 64 6.763 49.611 -1.752 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.464 50.233 -4.192 1.00 0.00 H new ATOM 0 HB3 GLU A 64 5.666 51.227 -2.990 1.00 0.00 H new ATOM 0 HG2 GLU A 64 6.982 53.095 -3.441 1.00 0.00 H new ATOM 0 HG3 GLU A 64 8.350 52.147 -3.989 1.00 0.00 H new ATOM 1061 N LYS A 65 8.693 48.209 -2.580 1.00 0.00 N ATOM 1062 CA LYS A 65 9.795 47.310 -2.919 1.00 0.00 C ATOM 1063 C LYS A 65 9.186 45.965 -3.268 1.00 0.00 C ATOM 1064 O LYS A 65 8.629 45.258 -2.430 1.00 0.00 O ATOM 1065 CB LYS A 65 10.862 47.157 -1.792 1.00 0.00 C ATOM 1066 CG LYS A 65 12.068 48.086 -2.041 1.00 0.00 C ATOM 1067 CD LYS A 65 13.309 47.633 -1.242 1.00 0.00 C ATOM 1068 CE LYS A 65 14.577 48.352 -1.721 1.00 0.00 C ATOM 1069 NZ LYS A 65 14.946 47.959 -3.106 1.00 0.00 N ATOM 0 H LYS A 65 7.932 47.743 -2.087 1.00 0.00 H new ATOM 0 HA LYS A 65 10.341 47.739 -3.759 1.00 0.00 H new ATOM 0 HB2 LYS A 65 10.412 47.390 -0.827 1.00 0.00 H new ATOM 0 HB3 LYS A 65 11.200 46.122 -1.745 1.00 0.00 H new ATOM 0 HG2 LYS A 65 12.304 48.099 -3.105 1.00 0.00 H new ATOM 0 HG3 LYS A 65 11.806 49.106 -1.760 1.00 0.00 H new ATOM 0 HD2 LYS A 65 13.154 47.833 -0.182 1.00 0.00 H new ATOM 0 HD3 LYS A 65 13.438 46.556 -1.347 1.00 0.00 H new ATOM 0 HE2 LYS A 65 14.421 49.430 -1.679 1.00 0.00 H new ATOM 0 HE3 LYS A 65 15.402 48.122 -1.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 15.934 48.226 -3.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 14.839 46.930 -3.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 14.323 48.445 -3.782 1.00 0.00 H new ATOM 1083 N THR A 66 9.530 45.531 -4.474 1.00 0.00 N ATOM 1084 CA THR A 66 9.008 44.276 -5.010 1.00 0.00 C ATOM 1085 C THR A 66 10.164 43.291 -4.838 1.00 0.00 C ATOM 1086 O THR A 66 11.327 43.656 -4.644 1.00 0.00 O ATOM 1087 CB THR A 66 8.610 44.389 -6.510 1.00 0.00 C ATOM 1088 OG1 THR A 66 9.727 44.585 -7.349 1.00 0.00 O ATOM 1089 CG2 THR A 66 7.630 45.532 -6.776 1.00 0.00 C ATOM 0 H THR A 66 10.166 46.026 -5.099 1.00 0.00 H new ATOM 0 HA THR A 66 8.097 43.971 -4.495 1.00 0.00 H new ATOM 0 HB THR A 66 8.134 43.436 -6.739 1.00 0.00 H new ATOM 0 HG1 THR A 66 9.429 44.648 -8.281 1.00 0.00 H new ATOM 0 HG21 THR A 66 7.387 45.564 -7.838 1.00 0.00 H new ATOM 0 HG22 THR A 66 6.719 45.371 -6.200 1.00 0.00 H new ATOM 0 HG23 THR A 66 8.084 46.477 -6.479 1.00 0.00 H new ATOM 1097 N ILE A 67 9.839 41.998 -4.899 1.00 0.00 N ATOM 1098 CA ILE A 67 10.769 40.916 -4.585 1.00 0.00 C ATOM 1099 C ILE A 67 10.328 39.733 -5.448 1.00 0.00 C ATOM 1100 O ILE A 67 9.137 39.498 -5.622 1.00 0.00 O ATOM 1101 CB ILE A 67 10.800 40.470 -3.068 1.00 0.00 C ATOM 1102 CG1 ILE A 67 9.900 41.278 -2.103 1.00 0.00 C ATOM 1103 CG2 ILE A 67 12.258 40.465 -2.578 1.00 0.00 C ATOM 1104 CD1 ILE A 67 9.871 40.744 -0.669 1.00 0.00 C ATOM 0 H ILE A 67 8.912 41.671 -5.171 1.00 0.00 H new ATOM 0 HA ILE A 67 11.781 41.268 -4.786 1.00 0.00 H new ATOM 0 HB ILE A 67 10.367 39.470 -3.047 1.00 0.00 H new ATOM 0 HG12 ILE A 67 10.243 42.312 -2.086 1.00 0.00 H new ATOM 0 HG13 ILE A 67 8.883 41.286 -2.495 1.00 0.00 H new ATOM 0 HG21 ILE A 67 12.289 40.159 -1.532 1.00 0.00 H new ATOM 0 HG22 ILE A 67 12.841 39.767 -3.178 1.00 0.00 H new ATOM 0 HG23 ILE A 67 12.678 41.466 -2.675 1.00 0.00 H new ATOM 0 HD11 ILE A 67 9.217 41.369 -0.061 1.00 0.00 H new ATOM 0 HD12 ILE A 67 9.497 39.720 -0.670 1.00 0.00 H new ATOM 0 HD13 ILE A 67 10.879 40.762 -0.254 1.00 0.00 H new ATOM 1116 N HIS A 68 11.302 38.907 -5.840 1.00 0.00 N ATOM 1117 CA HIS A 68 11.054 37.801 -6.768 1.00 0.00 C ATOM 1118 C HIS A 68 11.815 36.610 -6.198 1.00 0.00 C ATOM 1119 O HIS A 68 13.031 36.653 -5.985 1.00 0.00 O ATOM 1120 CB HIS A 68 11.510 38.137 -8.223 1.00 0.00 C ATOM 1121 CG HIS A 68 10.772 37.352 -9.300 1.00 0.00 C ATOM 1122 ND1 HIS A 68 9.944 36.246 -9.103 1.00 0.00 N ATOM 1123 CD2 HIS A 68 10.724 37.706 -10.619 1.00 0.00 C ATOM 1124 CE1 HIS A 68 9.380 35.990 -10.291 1.00 0.00 C ATOM 1125 NE2 HIS A 68 9.842 36.840 -11.231 1.00 0.00 N ATOM 0 H HIS A 68 12.270 38.984 -5.529 1.00 0.00 H new ATOM 0 HA HIS A 68 9.988 37.592 -6.852 1.00 0.00 H new ATOM 0 HB2 HIS A 68 11.366 39.203 -8.401 1.00 0.00 H new ATOM 0 HB3 HIS A 68 12.578 37.941 -8.312 1.00 0.00 H new ATOM 0 HD2 HIS A 68 11.271 38.509 -11.091 1.00 0.00 H new ATOM 0 HE1 HIS A 68 8.655 35.210 -10.471 1.00 0.00 H new ATOM 0 HE2 HIS A 68 9.585 36.842 -12.218 1.00 0.00 H new ATOM 1133 N LEU A 69 11.098 35.502 -6.058 1.00 0.00 N ATOM 1134 CA LEU A 69 11.555 34.325 -5.317 1.00 0.00 C ATOM 1135 C LEU A 69 11.162 33.101 -6.149 1.00 0.00 C ATOM 1136 O LEU A 69 10.337 33.177 -7.061 1.00 0.00 O ATOM 1137 CB LEU A 69 10.914 34.184 -3.885 1.00 0.00 C ATOM 1138 CG LEU A 69 10.598 35.452 -3.061 1.00 0.00 C ATOM 1139 CD1 LEU A 69 9.080 35.663 -3.029 1.00 0.00 C ATOM 1140 CD2 LEU A 69 11.048 35.399 -1.588 1.00 0.00 C ATOM 0 H LEU A 69 10.168 35.391 -6.461 1.00 0.00 H new ATOM 0 HA LEU A 69 12.630 34.418 -5.162 1.00 0.00 H new ATOM 0 HB2 LEU A 69 9.983 33.628 -3.998 1.00 0.00 H new ATOM 0 HB3 LEU A 69 11.584 33.566 -3.288 1.00 0.00 H new ATOM 0 HG LEU A 69 11.149 36.252 -3.555 1.00 0.00 H new ATOM 0 HD11 LEU A 69 8.849 36.556 -2.449 1.00 0.00 H new ATOM 0 HD12 LEU A 69 8.708 35.785 -4.046 1.00 0.00 H new ATOM 0 HD13 LEU A 69 8.602 34.798 -2.569 1.00 0.00 H new ATOM 0 HD21 LEU A 69 10.783 36.333 -1.093 1.00 0.00 H new ATOM 0 HD22 LEU A 69 10.552 34.568 -1.086 1.00 0.00 H new ATOM 0 HD23 LEU A 69 12.128 35.258 -1.542 1.00 0.00 H new ATOM 1152 N THR A 70 11.597 31.908 -5.729 1.00 0.00 N ATOM 1153 CA THR A 70 11.323 30.701 -6.518 1.00 0.00 C ATOM 1154 C THR A 70 10.343 29.882 -5.671 1.00 0.00 C ATOM 1155 O THR A 70 10.340 29.840 -4.441 1.00 0.00 O ATOM 1156 CB THR A 70 12.586 29.849 -6.892 1.00 0.00 C ATOM 1157 OG1 THR A 70 13.633 29.909 -5.943 1.00 0.00 O ATOM 1158 CG2 THR A 70 13.241 30.339 -8.191 1.00 0.00 C ATOM 0 H THR A 70 12.126 31.753 -4.871 1.00 0.00 H new ATOM 0 HA THR A 70 10.922 30.992 -7.489 1.00 0.00 H new ATOM 0 HB THR A 70 12.182 28.839 -6.963 1.00 0.00 H new ATOM 0 HG1 THR A 70 13.282 29.690 -5.055 1.00 0.00 H new ATOM 0 HG21 THR A 70 14.112 29.723 -8.414 1.00 0.00 H new ATOM 0 HG22 THR A 70 12.525 30.266 -9.010 1.00 0.00 H new ATOM 0 HG23 THR A 70 13.552 31.377 -8.073 1.00 0.00 H new ATOM 1166 N LEU A 71 9.438 29.208 -6.392 1.00 0.00 N ATOM 1167 CA LEU A 71 8.279 28.466 -5.890 1.00 0.00 C ATOM 1168 C LEU A 71 8.023 27.341 -6.908 1.00 0.00 C ATOM 1169 O LEU A 71 8.308 27.487 -8.099 1.00 0.00 O ATOM 1170 CB LEU A 71 7.023 29.380 -5.735 1.00 0.00 C ATOM 1171 CG LEU A 71 5.652 28.704 -5.478 1.00 0.00 C ATOM 1172 CD1 LEU A 71 4.715 29.544 -4.595 1.00 0.00 C ATOM 1173 CD2 LEU A 71 4.880 28.443 -6.771 1.00 0.00 C ATOM 0 H LEU A 71 9.502 29.165 -7.409 1.00 0.00 H new ATOM 0 HA LEU A 71 8.477 28.069 -4.894 1.00 0.00 H new ATOM 0 HB2 LEU A 71 7.213 30.070 -4.913 1.00 0.00 H new ATOM 0 HB3 LEU A 71 6.934 29.980 -6.641 1.00 0.00 H new ATOM 0 HG LEU A 71 5.916 27.773 -4.976 1.00 0.00 H new ATOM 0 HD11 LEU A 71 3.774 29.013 -4.455 1.00 0.00 H new ATOM 0 HD12 LEU A 71 5.184 29.714 -3.626 1.00 0.00 H new ATOM 0 HD13 LEU A 71 4.522 30.502 -5.077 1.00 0.00 H new ATOM 0 HD21 LEU A 71 3.927 27.968 -6.536 1.00 0.00 H new ATOM 0 HD22 LEU A 71 4.698 29.388 -7.283 1.00 0.00 H new ATOM 0 HD23 LEU A 71 5.463 27.786 -7.417 1.00 0.00 H new ATOM 1185 N LYS A 72 7.448 26.237 -6.434 1.00 0.00 N ATOM 1186 CA LYS A 72 7.125 25.072 -7.244 1.00 0.00 C ATOM 1187 C LYS A 72 5.924 24.389 -6.602 1.00 0.00 C ATOM 1188 O LYS A 72 5.955 24.007 -5.434 1.00 0.00 O ATOM 1189 CB LYS A 72 8.339 24.098 -7.371 1.00 0.00 C ATOM 1190 CG LYS A 72 8.968 24.160 -8.774 1.00 0.00 C ATOM 1191 CD LYS A 72 8.207 23.285 -9.783 1.00 0.00 C ATOM 1192 CE LYS A 72 8.853 21.903 -9.939 1.00 0.00 C ATOM 1193 NZ LYS A 72 10.135 21.985 -10.674 1.00 0.00 N ATOM 0 H LYS A 72 7.189 26.129 -5.453 1.00 0.00 H new ATOM 0 HA LYS A 72 6.885 25.380 -8.262 1.00 0.00 H new ATOM 0 HB2 LYS A 72 9.090 24.352 -6.623 1.00 0.00 H new ATOM 0 HB3 LYS A 72 8.013 23.079 -7.162 1.00 0.00 H new ATOM 0 HG2 LYS A 72 8.976 25.193 -9.123 1.00 0.00 H new ATOM 0 HG3 LYS A 72 10.007 23.833 -8.721 1.00 0.00 H new ATOM 0 HD2 LYS A 72 7.174 23.168 -9.456 1.00 0.00 H new ATOM 0 HD3 LYS A 72 8.181 23.785 -10.751 1.00 0.00 H new ATOM 0 HE2 LYS A 72 9.024 21.466 -8.955 1.00 0.00 H new ATOM 0 HE3 LYS A 72 8.170 21.238 -10.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 10.402 21.039 -11.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 10.030 22.627 -11.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 10.876 22.347 -10.040 1.00 0.00 H new ATOM 1207 N VAL A 73 4.977 23.986 -7.451 1.00 0.00 N ATOM 1208 CA VAL A 73 3.703 23.397 -7.001 1.00 0.00 C ATOM 1209 C VAL A 73 3.672 22.024 -7.665 1.00 0.00 C ATOM 1210 O VAL A 73 4.039 21.819 -8.818 1.00 0.00 O ATOM 1211 CB VAL A 73 2.397 24.207 -7.338 1.00 0.00 C ATOM 1212 CG1 VAL A 73 2.625 25.491 -8.150 1.00 0.00 C ATOM 1213 CG2 VAL A 73 1.290 23.407 -8.066 1.00 0.00 C ATOM 0 H VAL A 73 5.065 24.056 -8.465 1.00 0.00 H new ATOM 0 HA VAL A 73 3.687 23.381 -5.911 1.00 0.00 H new ATOM 0 HB VAL A 73 2.060 24.458 -6.332 1.00 0.00 H new ATOM 0 HG11 VAL A 73 1.668 25.980 -8.333 1.00 0.00 H new ATOM 0 HG12 VAL A 73 3.276 26.164 -7.592 1.00 0.00 H new ATOM 0 HG13 VAL A 73 3.093 25.241 -9.102 1.00 0.00 H new ATOM 0 HG21 VAL A 73 0.434 24.056 -8.252 1.00 0.00 H new ATOM 0 HG22 VAL A 73 1.675 23.034 -9.015 1.00 0.00 H new ATOM 0 HG23 VAL A 73 0.980 22.567 -7.445 1.00 0.00 H new ATOM 1223 N VAL A 74 3.479 21.029 -6.779 1.00 0.00 N ATOM 1224 CA VAL A 74 3.427 19.603 -7.074 1.00 0.00 C ATOM 1225 C VAL A 74 2.369 18.935 -6.179 1.00 0.00 C ATOM 1226 O VAL A 74 2.207 19.347 -5.029 1.00 0.00 O ATOM 1227 CB VAL A 74 4.810 18.933 -6.894 1.00 0.00 C ATOM 1228 CG1 VAL A 74 5.727 19.167 -8.107 1.00 0.00 C ATOM 1229 CG2 VAL A 74 5.576 19.385 -5.638 1.00 0.00 C ATOM 0 H VAL A 74 3.349 21.220 -5.785 1.00 0.00 H new ATOM 0 HA VAL A 74 3.146 19.474 -8.119 1.00 0.00 H new ATOM 0 HB VAL A 74 4.569 17.875 -6.787 1.00 0.00 H new ATOM 0 HG11 VAL A 74 6.687 18.679 -7.937 1.00 0.00 H new ATOM 0 HG12 VAL A 74 5.262 18.751 -9.001 1.00 0.00 H new ATOM 0 HG13 VAL A 74 5.883 20.237 -8.244 1.00 0.00 H new ATOM 0 HG21 VAL A 74 6.534 18.867 -5.590 1.00 0.00 H new ATOM 0 HG22 VAL A 74 5.747 20.460 -5.684 1.00 0.00 H new ATOM 0 HG23 VAL A 74 4.990 19.148 -4.750 1.00 0.00 H new ATOM 1239 N LYS A 75 1.771 17.852 -6.705 1.00 0.00 N ATOM 1240 CA LYS A 75 0.669 17.078 -6.102 1.00 0.00 C ATOM 1241 C LYS A 75 -0.469 17.945 -5.534 1.00 0.00 C ATOM 1242 O LYS A 75 -0.731 18.967 -6.201 1.00 0.00 O ATOM 1243 CB LYS A 75 1.211 16.027 -5.117 1.00 0.00 C ATOM 1244 CG LYS A 75 2.302 15.171 -5.786 1.00 0.00 C ATOM 1245 CD LYS A 75 2.261 13.697 -5.361 1.00 0.00 C ATOM 1246 CE LYS A 75 3.033 12.892 -6.408 1.00 0.00 C ATOM 1247 NZ LYS A 75 3.784 11.771 -5.799 1.00 0.00 N ATOM 0 H LYS A 75 2.057 17.473 -7.608 1.00 0.00 H new ATOM 0 HA LYS A 75 0.184 16.532 -6.911 1.00 0.00 H new ATOM 0 HB2 LYS A 75 1.619 16.522 -4.236 1.00 0.00 H new ATOM 0 HB3 LYS A 75 0.397 15.387 -4.775 1.00 0.00 H new ATOM 0 HG2 LYS A 75 2.190 15.233 -6.868 1.00 0.00 H new ATOM 0 HG3 LYS A 75 3.280 15.585 -5.542 1.00 0.00 H new ATOM 0 HD2 LYS A 75 2.708 13.570 -4.375 1.00 0.00 H new ATOM 0 HD3 LYS A 75 1.231 13.347 -5.292 1.00 0.00 H new ATOM 0 HE2 LYS A 75 2.338 12.502 -7.151 1.00 0.00 H new ATOM 0 HE3 LYS A 75 3.725 13.550 -6.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 4.293 11.251 -6.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 4.466 12.145 -5.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 3.121 11.129 -5.319 1.00 0.00 H new TER 1261 LYS A 75