USER MOD reduce.3.24.130724 H: found=0, std=0, add=957, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 957 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 21 GLN : amide:sc= 0.0136 K(o=-0.7,f=-4.9!) USER MOD Set 1.2: A 82 HIS : no HD1:sc= -0.711 K(o=-0.7,f=0.68) USER MOD Single : A 1 GLN : amide:sc= -2.97! C(o=-3!,f=-1!) USER MOD Single : A 1 GLN N :NH3+ -132:sc= -0.875 (180deg=-3.51!) USER MOD Single : A 3 HIS : no HD1:sc=-0.00685 X(o=-0.0068,f=-0.00092) USER MOD Single : A 4 MET CE :methyl 159:sc= -0.132 (180deg=-0.726) USER MOD Single : A 9 HIS : no HE2:sc= 0.175 K(o=0.17,f=-0.67) USER MOD Single : A 11 HIS : no HD1:sc= -0.76 K(o=-0.76,f=0.028) USER MOD Single : A 14 SER OG : rot -156:sc= 0.562 USER MOD Single : A 20 GLN : amide:sc= -3.21! K(o=-3.2!,f=-2.4) USER MOD Single : A 24 ASN : amide:sc= -0.222 K(o=-0.22,f=-3!) USER MOD Single : A 26 HIS : no HE2:sc= 0.244 K(o=0.24,f=-0.92) USER MOD Single : A 29 TYR OH : rot -169:sc= 0.451 USER MOD Single : A 33 GLN : amide:sc= -0.411 X(o=-0.41,f=-0.81) USER MOD Single : A 34 ASN : amide:sc= -5.08! C(o=-5.1!,f=-2.3!) USER MOD Single : A 37 SER OG : rot -29:sc= 0.467 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 HIS : no HD1:sc= -0.113 K(o=-0.11,f=-3!) USER MOD Single : A 45 MET CE :methyl 180:sc= -1.26 (180deg=-1.26) USER MOD Single : A 52 LYS NZ :NH3+ -159:sc= 1.23 (180deg=0.54) USER MOD Single : A 55 SER OG : rot 39:sc= 0.171 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= -1.31 USER MOD Single : A 67 ASN : amide:sc= -0.121 X(o=-0.12,f=-0.36) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 87:sc= 0.75 USER MOD Single : A 77 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 HIS : no HD1:sc= 0.0152 K(o=0.015,f=-2.1) USER MOD Single : A 84 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0551) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 HIS : no HD1:sc= -0.839 X(o=-0.84,f=-1.1) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 TYR OH : rot 29:sc= 0.681 USER MOD Single : A 98 MET CE :methyl -131:sc= -4.9! (180deg=-6.97!) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 HIS : no HD1:sc= -0.5 K(o=-0.5,f=0.12) USER MOD Single : A 109 HIS : no HD1:sc= -0.167 X(o=-0.17,f=0) USER MOD Single : A 122 HIS : no HD1:sc= 0 X(o=0,f=-0.036) USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 -4.727 7.956 -12.334 1.00 0.00 N ATOM 2 CA GLN A 1 -5.809 8.855 -11.885 1.00 0.00 C ATOM 3 C GLN A 1 -6.303 8.392 -10.501 1.00 0.00 C ATOM 4 O GLN A 1 -7.373 7.781 -10.370 1.00 0.00 O ATOM 5 CB GLN A 1 -6.971 8.918 -12.931 1.00 0.00 C ATOM 6 CG GLN A 1 -6.635 9.627 -14.266 1.00 0.00 C ATOM 7 CD GLN A 1 -5.527 8.945 -15.075 1.00 0.00 C ATOM 8 OE1 GLN A 1 -5.783 8.045 -15.872 1.00 0.00 O ATOM 9 NE2 GLN A 1 -4.290 9.380 -14.884 1.00 0.00 N ATOM 0 H1 GLN A 1 -3.924 8.522 -12.674 1.00 0.00 H new ATOM 0 H2 GLN A 1 -4.419 7.360 -11.539 1.00 0.00 H new ATOM 0 H3 GLN A 1 -5.075 7.352 -13.105 1.00 0.00 H new ATOM 0 HA GLN A 1 -5.423 9.871 -11.798 1.00 0.00 H new ATOM 0 HB2 GLN A 1 -7.292 7.900 -13.152 1.00 0.00 H new ATOM 0 HB3 GLN A 1 -7.819 9.427 -12.474 1.00 0.00 H new ATOM 0 HG2 GLN A 1 -7.537 9.677 -14.876 1.00 0.00 H new ATOM 0 HG3 GLN A 1 -6.336 10.654 -14.055 1.00 0.00 H new ATOM 0 HE21 GLN A 1 -4.110 10.129 -14.215 1.00 0.00 H new ATOM 0 HE22 GLN A 1 -3.518 8.966 -15.406 1.00 0.00 H new ATOM 20 N GLY A 2 -5.458 8.633 -9.481 1.00 0.00 N ATOM 21 CA GLY A 2 -5.792 8.358 -8.087 1.00 0.00 C ATOM 22 C GLY A 2 -6.679 9.460 -7.533 1.00 0.00 C ATOM 23 O GLY A 2 -6.189 10.567 -7.276 1.00 0.00 O ATOM 0 H GLY A 2 -4.525 9.025 -9.610 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -6.302 7.398 -8.010 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -4.880 8.283 -7.495 1.00 0.00 H new ATOM 27 N HIS A 3 -7.984 9.160 -7.375 1.00 0.00 N ATOM 28 CA HIS A 3 -9.008 10.159 -7.018 1.00 0.00 C ATOM 29 C HIS A 3 -8.735 10.736 -5.615 1.00 0.00 C ATOM 30 O HIS A 3 -8.831 11.949 -5.401 1.00 0.00 O ATOM 31 CB HIS A 3 -10.425 9.527 -7.097 1.00 0.00 C ATOM 32 CG HIS A 3 -11.560 10.526 -7.164 1.00 0.00 C ATOM 33 ND1 HIS A 3 -12.725 10.410 -6.439 1.00 0.00 N ATOM 34 CD2 HIS A 3 -11.707 11.650 -7.912 1.00 0.00 C ATOM 35 CE1 HIS A 3 -13.532 11.409 -6.736 1.00 0.00 C ATOM 36 NE2 HIS A 3 -12.937 12.177 -7.623 1.00 0.00 N ATOM 0 H HIS A 3 -8.356 8.218 -7.492 1.00 0.00 H new ATOM 0 HA HIS A 3 -8.961 10.981 -7.732 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -10.473 8.884 -7.976 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -10.572 8.888 -6.226 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -10.986 12.054 -8.607 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -14.516 11.570 -6.321 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -13.328 13.027 -8.029 1.00 0.00 H new ATOM 45 N MET A 4 -8.384 9.850 -4.666 1.00 0.00 N ATOM 46 CA MET A 4 -7.951 10.253 -3.316 1.00 0.00 C ATOM 47 C MET A 4 -6.575 9.637 -3.016 1.00 0.00 C ATOM 48 O MET A 4 -6.473 8.458 -2.664 1.00 0.00 O ATOM 49 CB MET A 4 -8.986 9.829 -2.236 1.00 0.00 C ATOM 50 CG MET A 4 -10.340 10.548 -2.323 1.00 0.00 C ATOM 51 SD MET A 4 -11.470 10.069 -0.996 1.00 0.00 S ATOM 52 CE MET A 4 -10.569 10.622 0.454 1.00 0.00 C ATOM 0 H MET A 4 -8.392 8.840 -4.812 1.00 0.00 H new ATOM 0 HA MET A 4 -7.877 11.340 -3.286 1.00 0.00 H new ATOM 0 HB2 MET A 4 -9.155 8.755 -2.317 1.00 0.00 H new ATOM 0 HB3 MET A 4 -8.557 10.011 -1.251 1.00 0.00 H new ATOM 0 HG2 MET A 4 -10.178 11.625 -2.286 1.00 0.00 H new ATOM 0 HG3 MET A 4 -10.802 10.328 -3.285 1.00 0.00 H new ATOM 0 HE1 MET A 4 -11.261 10.743 1.288 1.00 0.00 H new ATOM 0 HE2 MET A 4 -9.812 9.883 0.715 1.00 0.00 H new ATOM 0 HE3 MET A 4 -10.087 11.576 0.241 1.00 0.00 H new ATOM 62 N PHE A 5 -5.517 10.440 -3.221 1.00 0.00 N ATOM 63 CA PHE A 5 -4.146 10.109 -2.808 1.00 0.00 C ATOM 64 C PHE A 5 -3.664 11.179 -1.811 1.00 0.00 C ATOM 65 O PHE A 5 -3.723 12.384 -2.102 1.00 0.00 O ATOM 66 CB PHE A 5 -3.198 10.026 -4.038 1.00 0.00 C ATOM 67 CG PHE A 5 -1.710 9.875 -3.681 1.00 0.00 C ATOM 68 CD1 PHE A 5 -1.273 8.847 -2.839 1.00 0.00 C ATOM 69 CD2 PHE A 5 -0.753 10.764 -4.177 1.00 0.00 C ATOM 70 CE1 PHE A 5 0.062 8.724 -2.509 1.00 0.00 C ATOM 71 CE2 PHE A 5 0.581 10.632 -3.847 1.00 0.00 C ATOM 72 CZ PHE A 5 0.988 9.612 -3.015 1.00 0.00 C ATOM 0 H PHE A 5 -5.592 11.346 -3.683 1.00 0.00 H new ATOM 0 HA PHE A 5 -4.134 9.130 -2.329 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -3.499 9.181 -4.657 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -3.325 10.925 -4.642 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -1.988 8.141 -2.442 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -1.062 11.568 -4.829 1.00 0.00 H new ATOM 0 HE1 PHE A 5 0.382 7.929 -1.852 1.00 0.00 H new ATOM 0 HE2 PHE A 5 1.306 11.329 -4.241 1.00 0.00 H new ATOM 0 HZ PHE A 5 2.032 9.508 -2.759 1.00 0.00 H new ATOM 82 N GLU A 6 -3.215 10.725 -0.639 1.00 0.00 N ATOM 83 CA GLU A 6 -2.715 11.587 0.440 1.00 0.00 C ATOM 84 C GLU A 6 -1.522 10.896 1.146 1.00 0.00 C ATOM 85 O GLU A 6 -1.415 9.666 1.093 1.00 0.00 O ATOM 86 CB GLU A 6 -3.882 11.888 1.429 1.00 0.00 C ATOM 87 CG GLU A 6 -4.513 10.631 2.066 1.00 0.00 C ATOM 88 CD GLU A 6 -5.784 10.917 2.874 1.00 0.00 C ATOM 89 OE1 GLU A 6 -5.679 11.505 3.968 1.00 0.00 O ATOM 90 OE2 GLU A 6 -6.896 10.559 2.418 1.00 0.00 O ATOM 0 H GLU A 6 -3.187 9.732 -0.407 1.00 0.00 H new ATOM 0 HA GLU A 6 -2.355 12.535 0.039 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -3.512 12.537 2.223 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -4.658 12.442 0.900 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -4.748 9.915 1.278 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -3.778 10.158 2.718 1.00 0.00 H new ATOM 97 N PRO A 7 -0.578 11.675 1.775 1.00 0.00 N ATOM 98 CA PRO A 7 0.544 11.090 2.553 1.00 0.00 C ATOM 99 C PRO A 7 0.045 10.210 3.722 1.00 0.00 C ATOM 100 O PRO A 7 -0.472 10.726 4.717 1.00 0.00 O ATOM 101 CB PRO A 7 1.343 12.334 3.052 1.00 0.00 C ATOM 102 CG PRO A 7 0.400 13.494 2.912 1.00 0.00 C ATOM 103 CD PRO A 7 -0.491 13.164 1.736 1.00 0.00 C ATOM 0 HA PRO A 7 1.157 10.416 1.955 1.00 0.00 H new ATOM 0 HB2 PRO A 7 1.660 12.208 4.087 1.00 0.00 H new ATOM 0 HB3 PRO A 7 2.244 12.486 2.458 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -0.187 13.632 3.820 1.00 0.00 H new ATOM 0 HG3 PRO A 7 0.945 14.422 2.741 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -1.473 13.627 1.834 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -0.064 13.517 0.797 1.00 0.00 H new ATOM 111 N GLY A 8 0.174 8.878 3.562 1.00 0.00 N ATOM 112 CA GLY A 8 -0.270 7.901 4.568 1.00 0.00 C ATOM 113 C GLY A 8 -1.347 6.955 4.046 1.00 0.00 C ATOM 114 O GLY A 8 -1.512 5.843 4.574 1.00 0.00 O ATOM 0 H GLY A 8 0.588 8.453 2.733 1.00 0.00 H new ATOM 0 HA2 GLY A 8 0.587 7.317 4.903 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -0.653 8.433 5.439 1.00 0.00 H new ATOM 118 N HIS A 9 -2.069 7.369 2.985 1.00 0.00 N ATOM 119 CA HIS A 9 -3.262 6.642 2.507 1.00 0.00 C ATOM 120 C HIS A 9 -3.533 6.875 0.999 1.00 0.00 C ATOM 121 O HIS A 9 -3.673 8.005 0.544 1.00 0.00 O ATOM 122 CB HIS A 9 -4.492 7.071 3.362 1.00 0.00 C ATOM 123 CG HIS A 9 -5.835 6.602 2.849 1.00 0.00 C ATOM 124 ND1 HIS A 9 -6.731 7.446 2.226 1.00 0.00 N ATOM 125 CD2 HIS A 9 -6.431 5.385 2.872 1.00 0.00 C ATOM 126 CE1 HIS A 9 -7.811 6.773 1.897 1.00 0.00 C ATOM 127 NE2 HIS A 9 -7.660 5.517 2.274 1.00 0.00 N ATOM 0 H HIS A 9 -1.846 8.204 2.443 1.00 0.00 H new ATOM 0 HA HIS A 9 -3.080 5.574 2.624 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -4.358 6.694 4.376 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -4.507 8.159 3.426 1.00 0.00 H new ATOM 0 HD1 HIS A 9 -6.579 8.439 2.048 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -6.015 4.478 3.285 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -8.679 7.180 1.400 1.00 0.00 H new ATOM 136 N LEU A 10 -3.617 5.776 0.244 1.00 0.00 N ATOM 137 CA LEU A 10 -4.172 5.757 -1.120 1.00 0.00 C ATOM 138 C LEU A 10 -5.587 5.152 -1.071 1.00 0.00 C ATOM 139 O LEU A 10 -5.874 4.312 -0.215 1.00 0.00 O ATOM 140 CB LEU A 10 -3.281 4.907 -2.068 1.00 0.00 C ATOM 141 CG LEU A 10 -3.814 4.724 -3.535 1.00 0.00 C ATOM 142 CD1 LEU A 10 -3.832 6.064 -4.312 1.00 0.00 C ATOM 143 CD2 LEU A 10 -3.018 3.640 -4.295 1.00 0.00 C ATOM 0 H LEU A 10 -3.299 4.861 0.563 1.00 0.00 H new ATOM 0 HA LEU A 10 -4.206 6.777 -1.503 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -2.294 5.367 -2.116 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -3.151 3.920 -1.624 1.00 0.00 H new ATOM 0 HG LEU A 10 -4.846 4.381 -3.461 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -4.207 5.894 -5.321 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -4.481 6.774 -3.799 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -2.821 6.468 -4.364 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -3.413 3.540 -5.306 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -1.967 3.927 -4.343 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -3.111 2.688 -3.773 1.00 0.00 H new ATOM 155 N HIS A 11 -6.478 5.603 -1.958 1.00 0.00 N ATOM 156 CA HIS A 11 -7.772 4.945 -2.198 1.00 0.00 C ATOM 157 C HIS A 11 -7.849 4.585 -3.694 1.00 0.00 C ATOM 158 O HIS A 11 -7.829 5.481 -4.548 1.00 0.00 O ATOM 159 CB HIS A 11 -8.934 5.893 -1.774 1.00 0.00 C ATOM 160 CG HIS A 11 -10.325 5.281 -1.755 1.00 0.00 C ATOM 161 ND1 HIS A 11 -11.448 5.996 -1.383 1.00 0.00 N ATOM 162 CD2 HIS A 11 -10.768 4.024 -2.015 1.00 0.00 C ATOM 163 CE1 HIS A 11 -12.503 5.206 -1.411 1.00 0.00 C ATOM 164 NE2 HIS A 11 -12.118 4.007 -1.791 1.00 0.00 N ATOM 0 H HIS A 11 -6.326 6.433 -2.531 1.00 0.00 H new ATOM 0 HA HIS A 11 -7.865 4.035 -1.605 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -8.716 6.279 -0.778 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -8.944 6.747 -2.451 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -10.165 3.189 -2.340 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -13.514 5.495 -1.163 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -12.727 3.196 -1.901 1.00 0.00 H new ATOM 173 N LEU A 12 -7.921 3.273 -4.005 1.00 0.00 N ATOM 174 CA LEU A 12 -8.103 2.791 -5.382 1.00 0.00 C ATOM 175 C LEU A 12 -9.594 2.689 -5.656 1.00 0.00 C ATOM 176 O LEU A 12 -10.275 1.853 -5.083 1.00 0.00 O ATOM 177 CB LEU A 12 -7.449 1.393 -5.601 1.00 0.00 C ATOM 178 CG LEU A 12 -5.894 1.341 -5.636 1.00 0.00 C ATOM 179 CD1 LEU A 12 -5.388 -0.120 -5.784 1.00 0.00 C ATOM 180 CD2 LEU A 12 -5.341 2.235 -6.773 1.00 0.00 C ATOM 0 H LEU A 12 -7.855 2.528 -3.312 1.00 0.00 H new ATOM 0 HA LEU A 12 -7.620 3.493 -6.062 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -7.793 0.730 -4.807 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -7.823 0.987 -6.541 1.00 0.00 H new ATOM 0 HG LEU A 12 -5.522 1.729 -4.688 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -4.298 -0.127 -5.806 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -5.738 -0.714 -4.939 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -5.772 -0.546 -6.711 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -4.252 2.184 -6.779 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -5.726 1.885 -7.731 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -5.655 3.266 -6.610 1.00 0.00 H new ATOM 192 N VAL A 13 -10.092 3.574 -6.496 1.00 0.00 N ATOM 193 CA VAL A 13 -11.448 3.490 -7.056 1.00 0.00 C ATOM 194 C VAL A 13 -11.341 3.545 -8.568 1.00 0.00 C ATOM 195 O VAL A 13 -10.259 3.829 -9.109 1.00 0.00 O ATOM 196 CB VAL A 13 -12.380 4.660 -6.555 1.00 0.00 C ATOM 197 CG1 VAL A 13 -12.680 4.542 -5.051 1.00 0.00 C ATOM 198 CG2 VAL A 13 -11.774 6.043 -6.899 1.00 0.00 C ATOM 0 H VAL A 13 -9.568 4.387 -6.820 1.00 0.00 H new ATOM 0 HA VAL A 13 -11.899 2.555 -6.722 1.00 0.00 H new ATOM 0 HB VAL A 13 -13.329 4.570 -7.083 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -13.325 5.365 -4.743 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -13.182 3.595 -4.853 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -11.747 4.582 -4.490 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -12.438 6.830 -6.542 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -10.801 6.143 -6.419 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -11.656 6.130 -7.979 1.00 0.00 H new ATOM 208 N SER A 14 -12.433 3.265 -9.259 1.00 0.00 N ATOM 209 CA SER A 14 -12.606 3.631 -10.663 1.00 0.00 C ATOM 210 C SER A 14 -14.033 4.189 -10.780 1.00 0.00 C ATOM 211 O SER A 14 -14.849 3.938 -9.873 1.00 0.00 O ATOM 212 CB SER A 14 -12.370 2.411 -11.580 1.00 0.00 C ATOM 213 OG SER A 14 -12.269 2.804 -12.935 1.00 0.00 O ATOM 0 H SER A 14 -13.234 2.773 -8.862 1.00 0.00 H new ATOM 0 HA SER A 14 -11.881 4.378 -10.984 1.00 0.00 H new ATOM 0 HB2 SER A 14 -11.458 1.897 -11.278 1.00 0.00 H new ATOM 0 HB3 SER A 14 -13.189 1.701 -11.464 1.00 0.00 H new ATOM 0 HG SER A 14 -12.505 2.049 -13.513 1.00 0.00 H new ATOM 219 N LEU A 15 -14.327 4.964 -11.844 1.00 0.00 N ATOM 220 CA LEU A 15 -15.612 5.689 -11.971 1.00 0.00 C ATOM 221 C LEU A 15 -16.835 4.732 -11.772 1.00 0.00 C ATOM 222 O LEU A 15 -16.958 3.716 -12.473 1.00 0.00 O ATOM 223 CB LEU A 15 -15.667 6.488 -13.305 1.00 0.00 C ATOM 224 CG LEU A 15 -15.450 5.678 -14.641 1.00 0.00 C ATOM 225 CD1 LEU A 15 -16.782 5.318 -15.342 1.00 0.00 C ATOM 226 CD2 LEU A 15 -14.510 6.430 -15.598 1.00 0.00 C ATOM 0 H LEU A 15 -13.692 5.105 -12.630 1.00 0.00 H new ATOM 0 HA LEU A 15 -15.676 6.422 -11.167 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -16.637 6.982 -13.363 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -14.912 7.273 -13.260 1.00 0.00 H new ATOM 0 HG LEU A 15 -14.977 4.737 -14.362 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -16.573 4.761 -16.256 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -17.390 4.707 -14.675 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -17.322 6.232 -15.589 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -14.378 5.848 -16.510 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -14.942 7.400 -15.845 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -13.542 6.576 -15.118 1.00 0.00 H new ATOM 238 N PRO A 16 -17.726 5.049 -10.776 1.00 0.00 N ATOM 239 CA PRO A 16 -18.716 4.089 -10.216 1.00 0.00 C ATOM 240 C PRO A 16 -19.866 3.765 -11.184 1.00 0.00 C ATOM 241 O PRO A 16 -20.187 4.563 -12.071 1.00 0.00 O ATOM 242 CB PRO A 16 -19.249 4.842 -8.968 1.00 0.00 C ATOM 243 CG PRO A 16 -19.152 6.284 -9.363 1.00 0.00 C ATOM 244 CD PRO A 16 -17.862 6.392 -10.137 1.00 0.00 C ATOM 0 HA PRO A 16 -18.266 3.119 -10.003 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -20.275 4.558 -8.735 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -18.650 4.627 -8.083 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -20.004 6.584 -9.973 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -19.142 6.933 -8.487 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -17.905 7.188 -10.881 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -17.019 6.613 -9.483 1.00 0.00 H new ATOM 252 N GLY A 17 -20.491 2.593 -10.994 1.00 0.00 N ATOM 253 CA GLY A 17 -21.623 2.181 -11.824 1.00 0.00 C ATOM 254 C GLY A 17 -21.857 0.687 -11.833 1.00 0.00 C ATOM 255 O GLY A 17 -22.862 0.251 -12.399 1.00 0.00 O ATOM 0 H GLY A 17 -20.230 1.919 -10.274 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -22.524 2.679 -11.467 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -21.455 2.520 -12.846 1.00 0.00 H new ATOM 259 N LEU A 18 -20.924 -0.095 -11.217 1.00 0.00 N ATOM 260 CA LEU A 18 -20.962 -1.588 -11.143 1.00 0.00 C ATOM 261 C LEU A 18 -20.603 -2.256 -12.502 1.00 0.00 C ATOM 262 O LEU A 18 -19.786 -3.180 -12.546 1.00 0.00 O ATOM 263 CB LEU A 18 -22.335 -2.126 -10.607 1.00 0.00 C ATOM 264 CG LEU A 18 -22.756 -1.665 -9.168 1.00 0.00 C ATOM 265 CD1 LEU A 18 -24.210 -2.085 -8.845 1.00 0.00 C ATOM 266 CD2 LEU A 18 -21.782 -2.203 -8.094 1.00 0.00 C ATOM 0 H LEU A 18 -20.109 0.301 -10.749 1.00 0.00 H new ATOM 0 HA LEU A 18 -20.194 -1.869 -10.422 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -23.116 -1.822 -11.304 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -22.303 -3.215 -10.620 1.00 0.00 H new ATOM 0 HG LEU A 18 -22.707 -0.576 -9.151 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -24.471 -1.751 -7.841 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -24.889 -1.630 -9.567 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -24.296 -3.170 -8.900 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -22.104 -1.865 -7.109 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -21.778 -3.293 -8.120 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -20.777 -1.831 -8.295 1.00 0.00 H new ATOM 278 N ASP A 19 -21.227 -1.779 -13.593 1.00 0.00 N ATOM 279 CA ASP A 19 -21.080 -2.317 -14.959 1.00 0.00 C ATOM 280 C ASP A 19 -19.640 -2.174 -15.505 1.00 0.00 C ATOM 281 O ASP A 19 -19.199 -2.975 -16.342 1.00 0.00 O ATOM 282 CB ASP A 19 -22.095 -1.590 -15.882 1.00 0.00 C ATOM 283 CG ASP A 19 -22.099 -2.084 -17.343 1.00 0.00 C ATOM 284 OD1 ASP A 19 -22.448 -3.259 -17.573 1.00 0.00 O ATOM 285 OD2 ASP A 19 -21.772 -1.299 -18.260 1.00 0.00 O ATOM 0 H ASP A 19 -21.866 -0.985 -13.549 1.00 0.00 H new ATOM 0 HA ASP A 19 -21.285 -3.387 -14.934 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -23.096 -1.712 -15.468 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -21.875 -0.523 -15.873 1.00 0.00 H new ATOM 290 N GLN A 20 -18.920 -1.148 -15.021 1.00 0.00 N ATOM 291 CA GLN A 20 -17.514 -0.895 -15.403 1.00 0.00 C ATOM 292 C GLN A 20 -16.535 -1.749 -14.563 1.00 0.00 C ATOM 293 O GLN A 20 -15.382 -1.923 -14.961 1.00 0.00 O ATOM 294 CB GLN A 20 -17.154 0.609 -15.238 1.00 0.00 C ATOM 295 CG GLN A 20 -18.094 1.612 -15.952 1.00 0.00 C ATOM 296 CD GLN A 20 -19.331 1.989 -15.125 1.00 0.00 C ATOM 297 OE1 GLN A 20 -20.382 1.351 -15.201 1.00 0.00 O ATOM 298 NE2 GLN A 20 -19.200 3.008 -14.306 1.00 0.00 N ATOM 0 H GLN A 20 -19.292 -0.470 -14.355 1.00 0.00 H new ATOM 0 HA GLN A 20 -17.414 -1.177 -16.451 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -17.143 0.845 -14.174 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -16.141 0.763 -15.609 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -17.535 2.517 -16.187 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -18.418 1.182 -16.900 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -18.318 3.518 -14.264 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -19.980 3.289 -13.712 1.00 0.00 H new ATOM 307 N GLN A 21 -17.052 -2.232 -13.409 1.00 0.00 N ATOM 308 CA GLN A 21 -16.348 -2.927 -12.308 1.00 0.00 C ATOM 309 C GLN A 21 -16.121 -1.929 -11.190 1.00 0.00 C ATOM 310 O GLN A 21 -15.465 -0.896 -11.385 1.00 0.00 O ATOM 311 CB GLN A 21 -15.020 -3.690 -12.635 1.00 0.00 C ATOM 312 CG GLN A 21 -15.229 -5.156 -13.048 1.00 0.00 C ATOM 313 CD GLN A 21 -13.985 -6.025 -12.865 1.00 0.00 C ATOM 314 OE1 GLN A 21 -12.858 -5.560 -13.011 1.00 0.00 O ATOM 315 NE2 GLN A 21 -14.185 -7.288 -12.505 1.00 0.00 N ATOM 0 H GLN A 21 -18.048 -2.138 -13.209 1.00 0.00 H new ATOM 0 HA GLN A 21 -17.014 -3.745 -12.034 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -14.500 -3.167 -13.438 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -14.370 -3.658 -11.761 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -16.046 -5.577 -12.462 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -15.536 -5.190 -14.093 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -15.135 -7.642 -12.393 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -13.389 -7.904 -12.341 1.00 0.00 H new ATOM 324 N ASP A 22 -16.660 -2.259 -10.019 1.00 0.00 N ATOM 325 CA ASP A 22 -16.726 -1.346 -8.880 1.00 0.00 C ATOM 326 C ASP A 22 -15.611 -1.721 -7.898 1.00 0.00 C ATOM 327 O ASP A 22 -15.853 -2.313 -6.834 1.00 0.00 O ATOM 328 CB ASP A 22 -18.154 -1.416 -8.241 1.00 0.00 C ATOM 329 CG ASP A 22 -18.695 -0.037 -7.828 1.00 0.00 C ATOM 330 OD1 ASP A 22 -19.179 0.709 -8.716 1.00 0.00 O ATOM 331 OD2 ASP A 22 -18.637 0.319 -6.632 1.00 0.00 O ATOM 0 H ASP A 22 -17.067 -3.175 -9.832 1.00 0.00 H new ATOM 0 HA ASP A 22 -16.569 -0.311 -9.185 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -18.842 -1.872 -8.952 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -18.123 -2.065 -7.366 1.00 0.00 H new ATOM 336 N ILE A 23 -14.369 -1.435 -8.318 1.00 0.00 N ATOM 337 CA ILE A 23 -13.175 -1.745 -7.526 1.00 0.00 C ATOM 338 C ILE A 23 -12.894 -0.558 -6.592 1.00 0.00 C ATOM 339 O ILE A 23 -12.763 0.582 -7.035 1.00 0.00 O ATOM 340 CB ILE A 23 -11.939 -2.143 -8.440 1.00 0.00 C ATOM 341 CG1 ILE A 23 -11.479 -0.991 -9.425 1.00 0.00 C ATOM 342 CG2 ILE A 23 -12.275 -3.437 -9.232 1.00 0.00 C ATOM 343 CD1 ILE A 23 -10.322 -0.124 -8.930 1.00 0.00 C ATOM 0 H ILE A 23 -14.168 -0.985 -9.211 1.00 0.00 H new ATOM 0 HA ILE A 23 -13.352 -2.629 -6.914 1.00 0.00 H new ATOM 0 HB ILE A 23 -11.094 -2.317 -7.773 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -11.191 -1.442 -10.375 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -12.334 -0.345 -9.625 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -11.427 -3.710 -9.859 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -12.485 -4.247 -8.533 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -13.149 -3.263 -9.859 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -10.087 0.632 -9.679 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -10.606 0.365 -7.998 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -9.446 -0.749 -8.759 1.00 0.00 H new ATOM 355 N ASN A 24 -12.917 -0.837 -5.284 1.00 0.00 N ATOM 356 CA ASN A 24 -12.831 0.182 -4.224 1.00 0.00 C ATOM 357 C ASN A 24 -11.989 -0.386 -3.073 1.00 0.00 C ATOM 358 O ASN A 24 -12.421 -1.291 -2.358 1.00 0.00 O ATOM 359 CB ASN A 24 -14.238 0.599 -3.713 1.00 0.00 C ATOM 360 CG ASN A 24 -15.164 1.154 -4.794 1.00 0.00 C ATOM 361 OD1 ASN A 24 -15.182 2.353 -5.067 1.00 0.00 O ATOM 362 ND2 ASN A 24 -15.940 0.289 -5.418 1.00 0.00 N ATOM 0 H ASN A 24 -12.997 -1.788 -4.924 1.00 0.00 H new ATOM 0 HA ASN A 24 -12.362 1.078 -4.630 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -14.715 -0.266 -3.253 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -14.120 1.351 -2.932 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -16.576 0.609 -6.148 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -15.904 -0.700 -5.170 1.00 0.00 H new ATOM 369 N ILE A 25 -10.780 0.162 -2.904 1.00 0.00 N ATOM 370 CA ILE A 25 -9.733 -0.418 -2.051 1.00 0.00 C ATOM 371 C ILE A 25 -9.129 0.683 -1.177 1.00 0.00 C ATOM 372 O ILE A 25 -8.727 1.729 -1.688 1.00 0.00 O ATOM 373 CB ILE A 25 -8.590 -1.082 -2.916 1.00 0.00 C ATOM 374 CG1 ILE A 25 -9.178 -2.092 -3.967 1.00 0.00 C ATOM 375 CG2 ILE A 25 -7.543 -1.769 -2.004 1.00 0.00 C ATOM 376 CD1 ILE A 25 -8.158 -2.725 -4.898 1.00 0.00 C ATOM 0 H ILE A 25 -10.497 1.030 -3.360 1.00 0.00 H new ATOM 0 HA ILE A 25 -10.186 -1.191 -1.430 1.00 0.00 H new ATOM 0 HB ILE A 25 -8.088 -0.290 -3.472 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -9.699 -2.886 -3.432 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -9.922 -1.572 -4.570 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -6.765 -2.220 -2.619 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -7.097 -1.028 -1.340 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -8.030 -2.543 -1.410 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -8.664 -3.405 -5.584 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -7.652 -1.945 -5.467 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -7.425 -3.280 -4.312 1.00 0.00 H new ATOM 388 N HIS A 26 -9.042 0.439 0.133 1.00 0.00 N ATOM 389 CA HIS A 26 -8.458 1.390 1.077 1.00 0.00 C ATOM 390 C HIS A 26 -7.033 0.924 1.364 1.00 0.00 C ATOM 391 O HIS A 26 -6.853 -0.081 2.043 1.00 0.00 O ATOM 392 CB HIS A 26 -9.264 1.419 2.403 1.00 0.00 C ATOM 393 CG HIS A 26 -10.755 1.597 2.288 1.00 0.00 C ATOM 394 ND1 HIS A 26 -11.626 1.147 3.254 1.00 0.00 N ATOM 395 CD2 HIS A 26 -11.525 2.198 1.352 1.00 0.00 C ATOM 396 CE1 HIS A 26 -12.855 1.460 2.921 1.00 0.00 C ATOM 397 NE2 HIS A 26 -12.821 2.096 1.775 1.00 0.00 N ATOM 0 H HIS A 26 -9.374 -0.422 0.567 1.00 0.00 H new ATOM 0 HA HIS A 26 -8.474 2.394 0.652 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -9.073 0.488 2.937 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -8.872 2.227 3.021 1.00 0.00 H new ATOM 0 HD1 HIS A 26 -11.356 0.646 4.101 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -11.181 2.669 0.443 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -13.743 1.233 3.493 1.00 0.00 H new ATOM 406 N ILE A 27 -6.025 1.645 0.861 1.00 0.00 N ATOM 407 CA ILE A 27 -4.615 1.281 1.071 1.00 0.00 C ATOM 408 C ILE A 27 -4.038 2.209 2.136 1.00 0.00 C ATOM 409 O ILE A 27 -3.850 3.410 1.899 1.00 0.00 O ATOM 410 CB ILE A 27 -3.761 1.331 -0.255 1.00 0.00 C ATOM 411 CG1 ILE A 27 -4.334 0.308 -1.297 1.00 0.00 C ATOM 412 CG2 ILE A 27 -2.251 1.047 0.027 1.00 0.00 C ATOM 413 CD1 ILE A 27 -3.542 0.170 -2.588 1.00 0.00 C ATOM 0 H ILE A 27 -6.158 2.488 0.303 1.00 0.00 H new ATOM 0 HA ILE A 27 -4.569 0.244 1.404 1.00 0.00 H new ATOM 0 HB ILE A 27 -3.831 2.337 -0.669 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -4.394 -0.671 -0.822 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -5.353 0.604 -1.547 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -1.692 1.089 -0.908 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -1.862 1.797 0.716 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -2.144 0.057 0.470 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -4.026 -0.562 -3.235 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -3.503 1.134 -3.096 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -2.529 -0.161 -2.360 1.00 0.00 H new ATOM 425 N ARG A 28 -3.793 1.646 3.323 1.00 0.00 N ATOM 426 CA ARG A 28 -3.213 2.367 4.454 1.00 0.00 C ATOM 427 C ARG A 28 -1.793 1.852 4.665 1.00 0.00 C ATOM 428 O ARG A 28 -1.601 0.693 5.042 1.00 0.00 O ATOM 429 CB ARG A 28 -4.069 2.156 5.732 1.00 0.00 C ATOM 430 CG ARG A 28 -3.537 2.906 6.973 1.00 0.00 C ATOM 431 CD ARG A 28 -4.443 2.773 8.208 1.00 0.00 C ATOM 432 NE ARG A 28 -4.569 1.383 8.686 1.00 0.00 N ATOM 433 CZ ARG A 28 -5.124 1.011 9.852 1.00 0.00 C ATOM 434 NH1 ARG A 28 -5.537 1.917 10.727 1.00 0.00 N ATOM 435 NH2 ARG A 28 -5.232 -0.275 10.144 1.00 0.00 N ATOM 0 H ARG A 28 -3.995 0.667 3.525 1.00 0.00 H new ATOM 0 HA ARG A 28 -3.194 3.437 4.247 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -5.089 2.483 5.532 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -4.114 1.090 5.955 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -2.545 2.527 7.218 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -3.424 3.962 6.728 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -4.045 3.393 9.012 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -5.433 3.160 7.968 1.00 0.00 H new ATOM 0 HE ARG A 28 -4.206 0.645 8.083 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -5.435 2.910 10.519 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -5.957 1.621 11.608 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -4.895 -0.977 9.486 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -5.652 -0.564 11.027 1.00 0.00 H new ATOM 449 N TYR A 29 -0.798 2.713 4.412 1.00 0.00 N ATOM 450 CA TYR A 29 0.617 2.367 4.581 1.00 0.00 C ATOM 451 C TYR A 29 1.168 3.169 5.768 1.00 0.00 C ATOM 452 O TYR A 29 1.156 4.405 5.760 1.00 0.00 O ATOM 453 CB TYR A 29 1.415 2.595 3.264 1.00 0.00 C ATOM 454 CG TYR A 29 1.185 3.933 2.528 1.00 0.00 C ATOM 455 CD1 TYR A 29 0.165 4.069 1.575 1.00 0.00 C ATOM 456 CD2 TYR A 29 1.995 5.046 2.767 1.00 0.00 C ATOM 457 CE1 TYR A 29 -0.033 5.260 0.901 1.00 0.00 C ATOM 458 CE2 TYR A 29 1.799 6.232 2.094 1.00 0.00 C ATOM 459 CZ TYR A 29 0.787 6.338 1.163 1.00 0.00 C ATOM 460 OH TYR A 29 0.589 7.531 0.505 1.00 0.00 O ATOM 0 H TYR A 29 -0.952 3.667 4.085 1.00 0.00 H new ATOM 0 HA TYR A 29 0.726 1.305 4.801 1.00 0.00 H new ATOM 0 HB2 TYR A 29 2.477 2.513 3.493 1.00 0.00 H new ATOM 0 HB3 TYR A 29 1.173 1.784 2.577 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -0.478 3.227 1.364 1.00 0.00 H new ATOM 0 HD2 TYR A 29 2.791 4.975 3.494 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -0.826 5.346 0.173 1.00 0.00 H new ATOM 0 HE2 TYR A 29 2.438 7.079 2.296 1.00 0.00 H new ATOM 0 HH TYR A 29 1.349 8.126 0.671 1.00 0.00 H new ATOM 470 N GLU A 30 1.616 2.437 6.804 1.00 0.00 N ATOM 471 CA GLU A 30 2.025 3.006 8.100 1.00 0.00 C ATOM 472 C GLU A 30 3.456 2.566 8.410 1.00 0.00 C ATOM 473 O GLU A 30 3.698 1.364 8.582 1.00 0.00 O ATOM 474 CB GLU A 30 1.080 2.489 9.232 1.00 0.00 C ATOM 475 CG GLU A 30 -0.422 2.688 8.966 1.00 0.00 C ATOM 476 CD GLU A 30 -1.320 2.126 10.079 1.00 0.00 C ATOM 477 OE1 GLU A 30 -1.452 0.890 10.175 1.00 0.00 O ATOM 478 OE2 GLU A 30 -1.896 2.917 10.862 1.00 0.00 O ATOM 0 H GLU A 30 1.705 1.422 6.764 1.00 0.00 H new ATOM 0 HA GLU A 30 1.967 4.093 8.049 1.00 0.00 H new ATOM 0 HB2 GLU A 30 1.269 1.426 9.385 1.00 0.00 H new ATOM 0 HB3 GLU A 30 1.339 2.996 10.161 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -0.625 3.753 8.849 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -0.683 2.209 8.022 1.00 0.00 H new ATOM 485 N VAL A 31 4.401 3.516 8.466 1.00 0.00 N ATOM 486 CA VAL A 31 5.756 3.231 8.958 1.00 0.00 C ATOM 487 C VAL A 31 5.710 2.973 10.483 1.00 0.00 C ATOM 488 O VAL A 31 5.228 3.803 11.268 1.00 0.00 O ATOM 489 CB VAL A 31 6.787 4.365 8.596 1.00 0.00 C ATOM 490 CG1 VAL A 31 6.328 5.743 9.115 1.00 0.00 C ATOM 491 CG2 VAL A 31 8.218 4.016 9.095 1.00 0.00 C ATOM 0 H VAL A 31 4.253 4.483 8.178 1.00 0.00 H new ATOM 0 HA VAL A 31 6.113 2.334 8.453 1.00 0.00 H new ATOM 0 HB VAL A 31 6.826 4.428 7.509 1.00 0.00 H new ATOM 0 HG11 VAL A 31 7.066 6.498 8.845 1.00 0.00 H new ATOM 0 HG12 VAL A 31 5.367 5.999 8.668 1.00 0.00 H new ATOM 0 HG13 VAL A 31 6.225 5.708 10.200 1.00 0.00 H new ATOM 0 HG21 VAL A 31 8.903 4.821 8.828 1.00 0.00 H new ATOM 0 HG22 VAL A 31 8.206 3.894 10.178 1.00 0.00 H new ATOM 0 HG23 VAL A 31 8.549 3.088 8.629 1.00 0.00 H new ATOM 501 N ARG A 32 6.151 1.783 10.865 1.00 0.00 N ATOM 502 CA ARG A 32 6.199 1.329 12.255 1.00 0.00 C ATOM 503 C ARG A 32 7.529 0.592 12.441 1.00 0.00 C ATOM 504 O ARG A 32 8.112 0.115 11.463 1.00 0.00 O ATOM 505 CB ARG A 32 4.948 0.436 12.538 1.00 0.00 C ATOM 506 CG ARG A 32 4.632 0.167 14.037 1.00 0.00 C ATOM 507 CD ARG A 32 5.332 -1.076 14.614 1.00 0.00 C ATOM 508 NE ARG A 32 5.060 -1.241 16.053 1.00 0.00 N ATOM 509 CZ ARG A 32 5.435 -2.296 16.799 1.00 0.00 C ATOM 510 NH1 ARG A 32 6.100 -3.309 16.259 1.00 0.00 N ATOM 511 NH2 ARG A 32 5.146 -2.324 18.094 1.00 0.00 N ATOM 0 H ARG A 32 6.495 1.087 10.204 1.00 0.00 H new ATOM 0 HA ARG A 32 6.160 2.150 12.971 1.00 0.00 H new ATOM 0 HB2 ARG A 32 4.078 0.908 12.082 1.00 0.00 H new ATOM 0 HB3 ARG A 32 5.089 -0.522 12.038 1.00 0.00 H new ATOM 0 HG2 ARG A 32 4.925 1.039 14.621 1.00 0.00 H new ATOM 0 HG3 ARG A 32 3.555 0.051 14.155 1.00 0.00 H new ATOM 0 HD2 ARG A 32 4.997 -1.963 14.077 1.00 0.00 H new ATOM 0 HD3 ARG A 32 6.407 -0.994 14.455 1.00 0.00 H new ATOM 0 HE ARG A 32 4.546 -0.495 16.521 1.00 0.00 H new ATOM 0 HH11 ARG A 32 6.333 -3.294 15.266 1.00 0.00 H new ATOM 0 HH12 ARG A 32 6.378 -4.102 16.837 1.00 0.00 H new ATOM 0 HH21 ARG A 32 4.641 -1.547 18.521 1.00 0.00 H new ATOM 0 HH22 ARG A 32 5.429 -3.122 18.662 1.00 0.00 H new ATOM 525 N GLN A 33 8.039 0.538 13.676 1.00 0.00 N ATOM 526 CA GLN A 33 9.374 -0.029 13.950 1.00 0.00 C ATOM 527 C GLN A 33 9.266 -1.439 14.569 1.00 0.00 C ATOM 528 O GLN A 33 8.635 -1.620 15.609 1.00 0.00 O ATOM 529 CB GLN A 33 10.198 0.904 14.877 1.00 0.00 C ATOM 530 CG GLN A 33 10.238 2.388 14.454 1.00 0.00 C ATOM 531 CD GLN A 33 10.856 2.621 13.072 1.00 0.00 C ATOM 532 OE1 GLN A 33 12.067 2.753 12.937 1.00 0.00 O ATOM 533 NE2 GLN A 33 10.022 2.729 12.045 1.00 0.00 N ATOM 0 H GLN A 33 7.552 0.879 14.505 1.00 0.00 H new ATOM 0 HA GLN A 33 9.895 -0.113 12.996 1.00 0.00 H new ATOM 0 HB2 GLN A 33 9.788 0.842 15.885 1.00 0.00 H new ATOM 0 HB3 GLN A 33 11.221 0.530 14.925 1.00 0.00 H new ATOM 0 HG2 GLN A 33 9.223 2.785 14.459 1.00 0.00 H new ATOM 0 HG3 GLN A 33 10.805 2.952 15.195 1.00 0.00 H new ATOM 0 HE21 GLN A 33 9.019 2.614 12.188 1.00 0.00 H new ATOM 0 HE22 GLN A 33 10.384 2.927 11.112 1.00 0.00 H new ATOM 542 N ASN A 34 9.854 -2.428 13.882 1.00 0.00 N ATOM 543 CA ASN A 34 10.060 -3.811 14.398 1.00 0.00 C ATOM 544 C ASN A 34 11.536 -4.018 14.813 1.00 0.00 C ATOM 545 O ASN A 34 12.424 -3.370 14.276 1.00 0.00 O ATOM 546 CB ASN A 34 9.641 -4.876 13.335 1.00 0.00 C ATOM 547 CG ASN A 34 10.487 -4.955 12.034 1.00 0.00 C ATOM 548 OD1 ASN A 34 10.538 -6.000 11.398 1.00 0.00 O ATOM 549 ND2 ASN A 34 11.187 -3.893 11.634 1.00 0.00 N ATOM 0 H ASN A 34 10.210 -2.299 12.935 1.00 0.00 H new ATOM 0 HA ASN A 34 9.427 -3.941 15.275 1.00 0.00 H new ATOM 0 HB2 ASN A 34 9.663 -5.856 13.812 1.00 0.00 H new ATOM 0 HB3 ASN A 34 8.606 -4.682 13.053 1.00 0.00 H new ATOM 0 HD21 ASN A 34 11.767 -3.950 10.797 1.00 0.00 H new ATOM 0 HD22 ASN A 34 11.143 -3.023 12.165 1.00 0.00 H new ATOM 556 N ALA A 35 11.786 -4.945 15.750 1.00 0.00 N ATOM 557 CA ALA A 35 13.157 -5.284 16.210 1.00 0.00 C ATOM 558 C ALA A 35 13.940 -6.062 15.128 1.00 0.00 C ATOM 559 O ALA A 35 15.175 -6.064 15.123 1.00 0.00 O ATOM 560 CB ALA A 35 13.096 -6.089 17.518 1.00 0.00 C ATOM 0 H ALA A 35 11.053 -5.483 16.213 1.00 0.00 H new ATOM 0 HA ALA A 35 13.690 -4.351 16.395 1.00 0.00 H new ATOM 0 HB1 ALA A 35 14.108 -6.331 17.844 1.00 0.00 H new ATOM 0 HB2 ALA A 35 12.599 -5.497 18.287 1.00 0.00 H new ATOM 0 HB3 ALA A 35 12.538 -7.011 17.352 1.00 0.00 H new ATOM 566 N GLU A 36 13.194 -6.714 14.218 1.00 0.00 N ATOM 567 CA GLU A 36 13.746 -7.554 13.142 1.00 0.00 C ATOM 568 C GLU A 36 14.527 -6.715 12.103 1.00 0.00 C ATOM 569 O GLU A 36 15.709 -6.972 11.857 1.00 0.00 O ATOM 570 CB GLU A 36 12.571 -8.345 12.476 1.00 0.00 C ATOM 571 CG GLU A 36 12.878 -9.078 11.146 1.00 0.00 C ATOM 572 CD GLU A 36 13.998 -10.127 11.236 1.00 0.00 C ATOM 573 OE1 GLU A 36 13.819 -11.143 11.932 1.00 0.00 O ATOM 574 OE2 GLU A 36 15.064 -9.943 10.615 1.00 0.00 O ATOM 0 H GLU A 36 12.175 -6.671 14.210 1.00 0.00 H new ATOM 0 HA GLU A 36 14.464 -8.256 13.566 1.00 0.00 H new ATOM 0 HB2 GLU A 36 12.210 -9.082 13.193 1.00 0.00 H new ATOM 0 HB3 GLU A 36 11.753 -7.648 12.297 1.00 0.00 H new ATOM 0 HG2 GLU A 36 11.968 -9.566 10.797 1.00 0.00 H new ATOM 0 HG3 GLU A 36 13.151 -8.338 10.393 1.00 0.00 H new ATOM 581 N SER A 37 13.872 -5.687 11.540 1.00 0.00 N ATOM 582 CA SER A 37 14.410 -4.908 10.394 1.00 0.00 C ATOM 583 C SER A 37 14.558 -3.408 10.738 1.00 0.00 C ATOM 584 O SER A 37 14.920 -2.595 9.875 1.00 0.00 O ATOM 585 CB SER A 37 13.466 -5.110 9.180 1.00 0.00 C ATOM 586 OG SER A 37 13.933 -4.449 8.013 1.00 0.00 O ATOM 0 H SER A 37 12.958 -5.367 11.859 1.00 0.00 H new ATOM 0 HA SER A 37 15.410 -5.269 10.153 1.00 0.00 H new ATOM 0 HB2 SER A 37 13.366 -6.176 8.975 1.00 0.00 H new ATOM 0 HB3 SER A 37 12.472 -4.739 9.431 1.00 0.00 H new ATOM 0 HG SER A 37 14.458 -3.663 8.270 1.00 0.00 H new ATOM 592 N GLY A 38 14.311 -3.059 12.007 1.00 0.00 N ATOM 593 CA GLY A 38 14.303 -1.661 12.440 1.00 0.00 C ATOM 594 C GLY A 38 13.016 -0.981 12.004 1.00 0.00 C ATOM 595 O GLY A 38 11.979 -1.177 12.621 1.00 0.00 O ATOM 0 H GLY A 38 14.114 -3.729 12.751 1.00 0.00 H new ATOM 0 HA2 GLY A 38 14.401 -1.609 13.524 1.00 0.00 H new ATOM 0 HA3 GLY A 38 15.160 -1.137 12.017 1.00 0.00 H new ATOM 599 N ALA A 39 13.077 -0.202 10.925 1.00 0.00 N ATOM 600 CA ALA A 39 11.883 0.369 10.281 1.00 0.00 C ATOM 601 C ALA A 39 11.251 -0.645 9.309 1.00 0.00 C ATOM 602 O ALA A 39 11.962 -1.443 8.678 1.00 0.00 O ATOM 603 CB ALA A 39 12.232 1.680 9.549 1.00 0.00 C ATOM 0 H ALA A 39 13.953 0.054 10.469 1.00 0.00 H new ATOM 0 HA ALA A 39 11.154 0.597 11.058 1.00 0.00 H new ATOM 0 HB1 ALA A 39 11.335 2.085 9.080 1.00 0.00 H new ATOM 0 HB2 ALA A 39 12.625 2.402 10.264 1.00 0.00 H new ATOM 0 HB3 ALA A 39 12.983 1.481 8.784 1.00 0.00 H new ATOM 609 N TYR A 40 9.917 -0.615 9.221 1.00 0.00 N ATOM 610 CA TYR A 40 9.145 -1.344 8.188 1.00 0.00 C ATOM 611 C TYR A 40 7.841 -0.579 7.920 1.00 0.00 C ATOM 612 O TYR A 40 7.553 0.416 8.599 1.00 0.00 O ATOM 613 CB TYR A 40 8.868 -2.832 8.597 1.00 0.00 C ATOM 614 CG TYR A 40 7.687 -3.068 9.565 1.00 0.00 C ATOM 615 CD1 TYR A 40 7.814 -2.867 10.937 1.00 0.00 C ATOM 616 CD2 TYR A 40 6.436 -3.510 9.096 1.00 0.00 C ATOM 617 CE1 TYR A 40 6.755 -3.085 11.799 1.00 0.00 C ATOM 618 CE2 TYR A 40 5.376 -3.725 9.957 1.00 0.00 C ATOM 619 CZ TYR A 40 5.543 -3.515 11.307 1.00 0.00 C ATOM 620 OH TYR A 40 4.493 -3.737 12.170 1.00 0.00 O ATOM 0 H TYR A 40 9.331 -0.083 9.865 1.00 0.00 H new ATOM 0 HA TYR A 40 9.735 -1.392 7.273 1.00 0.00 H new ATOM 0 HB2 TYR A 40 8.687 -3.408 7.690 1.00 0.00 H new ATOM 0 HB3 TYR A 40 9.771 -3.235 9.055 1.00 0.00 H new ATOM 0 HD1 TYR A 40 8.760 -2.534 11.337 1.00 0.00 H new ATOM 0 HD2 TYR A 40 6.301 -3.685 8.039 1.00 0.00 H new ATOM 0 HE1 TYR A 40 6.879 -2.918 12.859 1.00 0.00 H new ATOM 0 HE2 TYR A 40 4.422 -4.056 9.573 1.00 0.00 H new ATOM 0 HH TYR A 40 3.710 -4.036 11.662 1.00 0.00 H new ATOM 630 N VAL A 41 7.059 -1.026 6.924 1.00 0.00 N ATOM 631 CA VAL A 41 5.737 -0.440 6.626 1.00 0.00 C ATOM 632 C VAL A 41 4.670 -1.554 6.626 1.00 0.00 C ATOM 633 O VAL A 41 4.874 -2.622 6.035 1.00 0.00 O ATOM 634 CB VAL A 41 5.715 0.318 5.242 1.00 0.00 C ATOM 635 CG1 VAL A 41 4.404 1.126 5.067 1.00 0.00 C ATOM 636 CG2 VAL A 41 6.945 1.234 5.072 1.00 0.00 C ATOM 0 H VAL A 41 7.319 -1.795 6.307 1.00 0.00 H new ATOM 0 HA VAL A 41 5.519 0.294 7.402 1.00 0.00 H new ATOM 0 HB VAL A 41 5.757 -0.441 4.460 1.00 0.00 H new ATOM 0 HG11 VAL A 41 4.418 1.637 4.105 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.551 0.448 5.106 1.00 0.00 H new ATOM 0 HG13 VAL A 41 4.320 1.861 5.867 1.00 0.00 H new ATOM 0 HG21 VAL A 41 6.893 1.738 4.107 1.00 0.00 H new ATOM 0 HG22 VAL A 41 6.958 1.977 5.869 1.00 0.00 H new ATOM 0 HG23 VAL A 41 7.854 0.635 5.120 1.00 0.00 H new ATOM 646 N HIS A 42 3.555 -1.297 7.316 1.00 0.00 N ATOM 647 CA HIS A 42 2.375 -2.172 7.334 1.00 0.00 C ATOM 648 C HIS A 42 1.360 -1.646 6.312 1.00 0.00 C ATOM 649 O HIS A 42 1.088 -0.444 6.279 1.00 0.00 O ATOM 650 CB HIS A 42 1.761 -2.203 8.761 1.00 0.00 C ATOM 651 CG HIS A 42 0.372 -2.807 8.853 1.00 0.00 C ATOM 652 ND1 HIS A 42 0.111 -4.149 8.697 1.00 0.00 N ATOM 653 CD2 HIS A 42 -0.831 -2.229 9.083 1.00 0.00 C ATOM 654 CE1 HIS A 42 -1.179 -4.366 8.827 1.00 0.00 C ATOM 655 NE2 HIS A 42 -1.769 -3.223 9.064 1.00 0.00 N ATOM 0 H HIS A 42 3.443 -0.460 7.889 1.00 0.00 H new ATOM 0 HA HIS A 42 2.657 -3.191 7.068 1.00 0.00 H new ATOM 0 HB2 HIS A 42 2.428 -2.765 9.414 1.00 0.00 H new ATOM 0 HB3 HIS A 42 1.723 -1.184 9.145 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -1.015 -1.178 9.250 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -1.669 -5.326 8.751 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -2.770 -3.094 9.211 1.00 0.00 H new ATOM 664 N PHE A 43 0.794 -2.548 5.500 1.00 0.00 N ATOM 665 CA PHE A 43 -0.141 -2.183 4.413 1.00 0.00 C ATOM 666 C PHE A 43 -1.492 -2.872 4.636 1.00 0.00 C ATOM 667 O PHE A 43 -1.534 -4.090 4.811 1.00 0.00 O ATOM 668 CB PHE A 43 0.435 -2.590 3.030 1.00 0.00 C ATOM 669 CG PHE A 43 1.839 -2.047 2.740 1.00 0.00 C ATOM 670 CD1 PHE A 43 2.019 -0.783 2.186 1.00 0.00 C ATOM 671 CD2 PHE A 43 2.979 -2.811 3.014 1.00 0.00 C ATOM 672 CE1 PHE A 43 3.286 -0.302 1.914 1.00 0.00 C ATOM 673 CE2 PHE A 43 4.241 -2.327 2.742 1.00 0.00 C ATOM 674 CZ PHE A 43 4.397 -1.075 2.191 1.00 0.00 C ATOM 0 H PHE A 43 0.967 -3.551 5.573 1.00 0.00 H new ATOM 0 HA PHE A 43 -0.278 -1.102 4.425 1.00 0.00 H new ATOM 0 HB2 PHE A 43 0.460 -3.678 2.967 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -0.243 -2.241 2.251 1.00 0.00 H new ATOM 0 HD1 PHE A 43 1.158 -0.170 1.966 1.00 0.00 H new ATOM 0 HD2 PHE A 43 2.869 -3.795 3.445 1.00 0.00 H new ATOM 0 HE1 PHE A 43 3.408 0.681 1.484 1.00 0.00 H new ATOM 0 HE2 PHE A 43 5.109 -2.931 2.962 1.00 0.00 H new ATOM 0 HZ PHE A 43 5.386 -0.698 1.976 1.00 0.00 H new ATOM 684 N ASP A 44 -2.581 -2.088 4.660 1.00 0.00 N ATOM 685 CA ASP A 44 -3.966 -2.609 4.696 1.00 0.00 C ATOM 686 C ASP A 44 -4.635 -2.374 3.342 1.00 0.00 C ATOM 687 O ASP A 44 -4.305 -1.412 2.650 1.00 0.00 O ATOM 688 CB ASP A 44 -4.812 -1.926 5.808 1.00 0.00 C ATOM 689 CG ASP A 44 -4.326 -2.256 7.227 1.00 0.00 C ATOM 690 OD1 ASP A 44 -4.542 -3.403 7.693 1.00 0.00 O ATOM 691 OD2 ASP A 44 -3.714 -1.386 7.879 1.00 0.00 O ATOM 0 H ASP A 44 -2.531 -1.069 4.655 1.00 0.00 H new ATOM 0 HA ASP A 44 -3.914 -3.675 4.916 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -4.785 -0.846 5.664 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -5.852 -2.236 5.706 1.00 0.00 H new ATOM 696 N MET A 45 -5.551 -3.278 2.969 1.00 0.00 N ATOM 697 CA MET A 45 -6.433 -3.141 1.794 1.00 0.00 C ATOM 698 C MET A 45 -7.818 -3.683 2.161 1.00 0.00 C ATOM 699 O MET A 45 -7.912 -4.775 2.715 1.00 0.00 O ATOM 700 CB MET A 45 -5.900 -3.904 0.545 1.00 0.00 C ATOM 701 CG MET A 45 -4.534 -3.438 -0.004 1.00 0.00 C ATOM 702 SD MET A 45 -4.318 -3.815 -1.761 1.00 0.00 S ATOM 703 CE MET A 45 -4.880 -5.516 -1.849 1.00 0.00 C ATOM 0 H MET A 45 -5.706 -4.145 3.484 1.00 0.00 H new ATOM 0 HA MET A 45 -6.473 -2.084 1.530 1.00 0.00 H new ATOM 0 HB2 MET A 45 -5.826 -4.962 0.795 1.00 0.00 H new ATOM 0 HB3 MET A 45 -6.638 -3.816 -0.252 1.00 0.00 H new ATOM 0 HG2 MET A 45 -4.435 -2.363 0.147 1.00 0.00 H new ATOM 0 HG3 MET A 45 -3.737 -3.915 0.566 1.00 0.00 H new ATOM 0 HE1 MET A 45 -4.800 -5.873 -2.876 1.00 0.00 H new ATOM 0 HE2 MET A 45 -4.263 -6.137 -1.200 1.00 0.00 H new ATOM 0 HE3 MET A 45 -5.919 -5.573 -1.525 1.00 0.00 H new ATOM 713 N ASP A 46 -8.888 -2.932 1.844 1.00 0.00 N ATOM 714 CA ASP A 46 -10.277 -3.357 2.149 1.00 0.00 C ATOM 715 C ASP A 46 -11.298 -2.482 1.419 1.00 0.00 C ATOM 716 O ASP A 46 -10.995 -1.361 1.018 1.00 0.00 O ATOM 717 CB ASP A 46 -10.564 -3.342 3.679 1.00 0.00 C ATOM 718 CG ASP A 46 -10.524 -1.932 4.303 1.00 0.00 C ATOM 719 OD1 ASP A 46 -9.423 -1.356 4.445 1.00 0.00 O ATOM 720 OD2 ASP A 46 -11.592 -1.395 4.669 1.00 0.00 O ATOM 0 H ASP A 46 -8.823 -2.028 1.377 1.00 0.00 H new ATOM 0 HA ASP A 46 -10.376 -4.383 1.794 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -11.545 -3.782 3.860 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -9.833 -3.974 4.183 1.00 0.00 H new ATOM 725 N GLY A 47 -12.517 -3.006 1.270 1.00 0.00 N ATOM 726 CA GLY A 47 -13.604 -2.298 0.594 1.00 0.00 C ATOM 727 C GLY A 47 -14.501 -3.275 -0.133 1.00 0.00 C ATOM 728 O GLY A 47 -15.046 -4.192 0.485 1.00 0.00 O ATOM 0 H GLY A 47 -12.777 -3.930 1.614 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -14.186 -1.733 1.322 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -13.192 -1.578 -0.113 1.00 0.00 H new ATOM 732 N GLU A 48 -14.628 -3.103 -1.449 1.00 0.00 N ATOM 733 CA GLU A 48 -15.323 -4.047 -2.340 1.00 0.00 C ATOM 734 C GLU A 48 -14.552 -4.121 -3.658 1.00 0.00 C ATOM 735 O GLU A 48 -13.659 -3.301 -3.897 1.00 0.00 O ATOM 736 CB GLU A 48 -16.798 -3.611 -2.571 1.00 0.00 C ATOM 737 CG GLU A 48 -16.972 -2.350 -3.449 1.00 0.00 C ATOM 738 CD GLU A 48 -18.406 -1.817 -3.468 1.00 0.00 C ATOM 739 OE1 GLU A 48 -19.239 -2.342 -4.234 1.00 0.00 O ATOM 740 OE2 GLU A 48 -18.707 -0.878 -2.696 1.00 0.00 O ATOM 0 H GLU A 48 -14.247 -2.293 -1.938 1.00 0.00 H new ATOM 0 HA GLU A 48 -15.355 -5.035 -1.881 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -17.338 -4.437 -3.035 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -17.264 -3.429 -1.603 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -16.306 -1.568 -3.085 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -16.664 -2.581 -4.469 1.00 0.00 H new ATOM 747 N ILE A 49 -14.920 -5.065 -4.534 1.00 0.00 N ATOM 748 CA ILE A 49 -14.230 -5.302 -5.808 1.00 0.00 C ATOM 749 C ILE A 49 -15.287 -5.945 -6.710 1.00 0.00 C ATOM 750 O ILE A 49 -15.646 -7.122 -6.494 1.00 0.00 O ATOM 751 CB ILE A 49 -12.926 -6.210 -5.715 1.00 0.00 C ATOM 752 CG1 ILE A 49 -11.701 -5.381 -5.193 1.00 0.00 C ATOM 753 CG2 ILE A 49 -12.598 -6.863 -7.089 1.00 0.00 C ATOM 754 CD1 ILE A 49 -10.395 -6.147 -5.073 1.00 0.00 C ATOM 0 H ILE A 49 -15.711 -5.690 -4.377 1.00 0.00 H new ATOM 0 HA ILE A 49 -13.842 -4.359 -6.192 1.00 0.00 H new ATOM 0 HB ILE A 49 -13.129 -7.008 -5.000 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -11.545 -4.535 -5.863 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -11.953 -4.971 -4.215 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -11.703 -7.477 -6.995 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -13.435 -7.486 -7.404 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -12.427 -6.083 -7.831 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -9.615 -5.481 -4.704 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -10.522 -6.977 -4.378 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -10.109 -6.534 -6.051 1.00 0.00 H new ATOM 766 N ASP A 50 -15.838 -5.154 -7.653 1.00 0.00 N ATOM 767 CA ASP A 50 -16.894 -5.608 -8.571 1.00 0.00 C ATOM 768 C ASP A 50 -18.123 -6.095 -7.748 1.00 0.00 C ATOM 769 O ASP A 50 -18.683 -7.176 -7.971 1.00 0.00 O ATOM 770 CB ASP A 50 -16.321 -6.685 -9.548 1.00 0.00 C ATOM 771 CG ASP A 50 -17.310 -7.140 -10.637 1.00 0.00 C ATOM 772 OD1 ASP A 50 -17.824 -6.285 -11.374 1.00 0.00 O ATOM 773 OD2 ASP A 50 -17.560 -8.352 -10.771 1.00 0.00 O ATOM 0 H ASP A 50 -15.561 -4.183 -7.797 1.00 0.00 H new ATOM 0 HA ASP A 50 -17.244 -4.786 -9.196 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -15.428 -6.285 -10.028 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -16.009 -7.555 -8.970 1.00 0.00 H new ATOM 778 N GLY A 51 -18.493 -5.270 -6.748 1.00 0.00 N ATOM 779 CA GLY A 51 -19.590 -5.574 -5.821 1.00 0.00 C ATOM 780 C GLY A 51 -19.160 -6.359 -4.574 1.00 0.00 C ATOM 781 O GLY A 51 -19.699 -6.133 -3.489 1.00 0.00 O ATOM 0 H GLY A 51 -18.037 -4.376 -6.564 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -20.054 -4.639 -5.506 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -20.352 -6.145 -6.352 1.00 0.00 H new ATOM 785 N LYS A 52 -18.196 -7.282 -4.736 1.00 0.00 N ATOM 786 CA LYS A 52 -17.779 -8.251 -3.699 1.00 0.00 C ATOM 787 C LYS A 52 -16.841 -7.615 -2.643 1.00 0.00 C ATOM 788 O LYS A 52 -15.709 -7.259 -2.977 1.00 0.00 O ATOM 789 CB LYS A 52 -17.078 -9.445 -4.401 1.00 0.00 C ATOM 790 CG LYS A 52 -18.022 -10.302 -5.282 1.00 0.00 C ATOM 791 CD LYS A 52 -17.261 -11.242 -6.257 1.00 0.00 C ATOM 792 CE LYS A 52 -16.590 -10.473 -7.416 1.00 0.00 C ATOM 793 NZ LYS A 52 -17.589 -9.782 -8.269 1.00 0.00 N ATOM 0 H LYS A 52 -17.673 -7.380 -5.606 1.00 0.00 H new ATOM 0 HA LYS A 52 -18.664 -8.590 -3.161 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -16.267 -9.063 -5.021 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -16.626 -10.084 -3.643 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -18.666 -10.901 -4.638 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -18.672 -9.642 -5.857 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -16.502 -11.795 -5.705 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -17.956 -11.976 -6.666 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -15.890 -9.742 -7.011 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -16.010 -11.166 -8.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -17.173 -9.585 -9.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -18.426 -10.389 -8.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -17.870 -8.887 -7.820 1.00 0.00 H new ATOM 807 N PRO A 53 -17.309 -7.460 -1.357 1.00 0.00 N ATOM 808 CA PRO A 53 -16.477 -6.952 -0.226 1.00 0.00 C ATOM 809 C PRO A 53 -15.256 -7.850 0.080 1.00 0.00 C ATOM 810 O PRO A 53 -15.334 -9.074 -0.069 1.00 0.00 O ATOM 811 CB PRO A 53 -17.462 -6.914 0.979 1.00 0.00 C ATOM 812 CG PRO A 53 -18.832 -6.939 0.361 1.00 0.00 C ATOM 813 CD PRO A 53 -18.696 -7.741 -0.910 1.00 0.00 C ATOM 0 HA PRO A 53 -16.043 -5.980 -0.459 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -17.311 -7.768 1.639 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -17.316 -6.016 1.580 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -19.557 -7.395 1.035 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -19.184 -5.929 0.150 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -18.851 -8.805 -0.731 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -19.428 -7.434 -1.657 1.00 0.00 H new ATOM 821 N PHE A 54 -14.138 -7.242 0.521 1.00 0.00 N ATOM 822 CA PHE A 54 -12.893 -7.989 0.825 1.00 0.00 C ATOM 823 C PHE A 54 -12.076 -7.266 1.922 1.00 0.00 C ATOM 824 O PHE A 54 -12.317 -6.084 2.212 1.00 0.00 O ATOM 825 CB PHE A 54 -12.036 -8.172 -0.471 1.00 0.00 C ATOM 826 CG PHE A 54 -11.218 -6.941 -0.881 1.00 0.00 C ATOM 827 CD1 PHE A 54 -11.844 -5.760 -1.283 1.00 0.00 C ATOM 828 CD2 PHE A 54 -9.821 -6.964 -0.831 1.00 0.00 C ATOM 829 CE1 PHE A 54 -11.101 -4.649 -1.618 1.00 0.00 C ATOM 830 CE2 PHE A 54 -9.083 -5.856 -1.173 1.00 0.00 C ATOM 831 CZ PHE A 54 -9.723 -4.701 -1.562 1.00 0.00 C ATOM 0 H PHE A 54 -14.067 -6.236 0.676 1.00 0.00 H new ATOM 0 HA PHE A 54 -13.166 -8.975 1.200 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -11.355 -9.011 -0.324 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -12.699 -8.440 -1.293 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -12.922 -5.717 -1.332 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -9.314 -7.865 -0.519 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -11.596 -3.739 -1.924 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -8.004 -5.891 -1.137 1.00 0.00 H new ATOM 0 HZ PHE A 54 -9.143 -3.829 -1.825 1.00 0.00 H new ATOM 841 N SER A 55 -11.112 -8.000 2.521 1.00 0.00 N ATOM 842 CA SER A 55 -10.124 -7.430 3.456 1.00 0.00 C ATOM 843 C SER A 55 -8.820 -8.261 3.467 1.00 0.00 C ATOM 844 O SER A 55 -8.828 -9.448 3.815 1.00 0.00 O ATOM 845 CB SER A 55 -10.728 -7.336 4.877 1.00 0.00 C ATOM 846 OG SER A 55 -11.212 -8.597 5.331 1.00 0.00 O ATOM 0 H SER A 55 -10.999 -9.002 2.368 1.00 0.00 H new ATOM 0 HA SER A 55 -9.871 -6.426 3.116 1.00 0.00 H new ATOM 0 HB2 SER A 55 -9.972 -6.966 5.570 1.00 0.00 H new ATOM 0 HB3 SER A 55 -11.543 -6.612 4.878 1.00 0.00 H new ATOM 0 HG SER A 55 -10.597 -9.305 5.046 1.00 0.00 H new ATOM 852 N ASP A 56 -7.710 -7.621 3.059 1.00 0.00 N ATOM 853 CA ASP A 56 -6.344 -8.195 3.095 1.00 0.00 C ATOM 854 C ASP A 56 -5.383 -7.204 3.762 1.00 0.00 C ATOM 855 O ASP A 56 -5.675 -6.009 3.837 1.00 0.00 O ATOM 856 CB ASP A 56 -5.835 -8.508 1.658 1.00 0.00 C ATOM 857 CG ASP A 56 -6.668 -9.579 0.951 1.00 0.00 C ATOM 858 OD1 ASP A 56 -7.729 -9.240 0.396 1.00 0.00 O ATOM 859 OD2 ASP A 56 -6.286 -10.765 0.976 1.00 0.00 O ATOM 0 H ASP A 56 -7.733 -6.672 2.687 1.00 0.00 H new ATOM 0 HA ASP A 56 -6.380 -9.123 3.666 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -5.850 -7.593 1.065 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -4.797 -8.837 1.709 1.00 0.00 H new ATOM 864 N SER A 57 -4.242 -7.707 4.257 1.00 0.00 N ATOM 865 CA SER A 57 -3.160 -6.856 4.792 1.00 0.00 C ATOM 866 C SER A 57 -1.819 -7.600 4.754 1.00 0.00 C ATOM 867 O SER A 57 -1.736 -8.773 5.148 1.00 0.00 O ATOM 868 CB SER A 57 -3.494 -6.383 6.225 1.00 0.00 C ATOM 869 OG SER A 57 -3.779 -7.475 7.084 1.00 0.00 O ATOM 0 H SER A 57 -4.041 -8.706 4.299 1.00 0.00 H new ATOM 0 HA SER A 57 -3.073 -5.972 4.160 1.00 0.00 H new ATOM 0 HB2 SER A 57 -2.655 -5.814 6.625 1.00 0.00 H new ATOM 0 HB3 SER A 57 -4.351 -5.710 6.196 1.00 0.00 H new ATOM 0 HG SER A 57 -3.984 -7.140 7.982 1.00 0.00 H new ATOM 875 N PHE A 58 -0.777 -6.911 4.265 1.00 0.00 N ATOM 876 CA PHE A 58 0.577 -7.466 4.123 1.00 0.00 C ATOM 877 C PHE A 58 1.603 -6.468 4.672 1.00 0.00 C ATOM 878 O PHE A 58 1.403 -5.259 4.586 1.00 0.00 O ATOM 879 CB PHE A 58 0.869 -7.830 2.640 1.00 0.00 C ATOM 880 CG PHE A 58 0.737 -6.679 1.630 1.00 0.00 C ATOM 881 CD1 PHE A 58 -0.504 -6.363 1.067 1.00 0.00 C ATOM 882 CD2 PHE A 58 1.848 -5.930 1.237 1.00 0.00 C ATOM 883 CE1 PHE A 58 -0.625 -5.333 0.152 1.00 0.00 C ATOM 884 CE2 PHE A 58 1.725 -4.904 0.319 1.00 0.00 C ATOM 885 CZ PHE A 58 0.490 -4.608 -0.223 1.00 0.00 C ATOM 0 H PHE A 58 -0.852 -5.943 3.954 1.00 0.00 H new ATOM 0 HA PHE A 58 0.651 -8.387 4.702 1.00 0.00 H new ATOM 0 HB2 PHE A 58 1.881 -8.230 2.576 1.00 0.00 H new ATOM 0 HB3 PHE A 58 0.191 -8.630 2.342 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -1.378 -6.930 1.350 1.00 0.00 H new ATOM 0 HD2 PHE A 58 2.817 -6.156 1.656 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -1.591 -5.095 -0.269 1.00 0.00 H new ATOM 0 HE2 PHE A 58 2.594 -4.334 0.026 1.00 0.00 H new ATOM 0 HZ PHE A 58 0.395 -3.808 -0.942 1.00 0.00 H new ATOM 895 N GLU A 59 2.688 -6.985 5.266 1.00 0.00 N ATOM 896 CA GLU A 59 3.782 -6.162 5.825 1.00 0.00 C ATOM 897 C GLU A 59 5.052 -6.411 5.014 1.00 0.00 C ATOM 898 O GLU A 59 5.301 -7.543 4.590 1.00 0.00 O ATOM 899 CB GLU A 59 4.048 -6.504 7.319 1.00 0.00 C ATOM 900 CG GLU A 59 2.864 -6.262 8.284 1.00 0.00 C ATOM 901 CD GLU A 59 1.720 -7.288 8.156 1.00 0.00 C ATOM 902 OE1 GLU A 59 1.940 -8.473 8.470 1.00 0.00 O ATOM 903 OE2 GLU A 59 0.605 -6.914 7.734 1.00 0.00 O ATOM 0 H GLU A 59 2.837 -7.988 5.375 1.00 0.00 H new ATOM 0 HA GLU A 59 3.489 -5.114 5.768 1.00 0.00 H new ATOM 0 HB2 GLU A 59 4.339 -7.552 7.386 1.00 0.00 H new ATOM 0 HB3 GLU A 59 4.898 -5.914 7.662 1.00 0.00 H new ATOM 0 HG2 GLU A 59 3.237 -6.277 9.308 1.00 0.00 H new ATOM 0 HG3 GLU A 59 2.463 -5.264 8.105 1.00 0.00 H new ATOM 910 N LEU A 60 5.857 -5.358 4.815 1.00 0.00 N ATOM 911 CA LEU A 60 7.136 -5.430 4.090 1.00 0.00 C ATOM 912 C LEU A 60 8.184 -4.616 4.866 1.00 0.00 C ATOM 913 O LEU A 60 7.853 -3.536 5.378 1.00 0.00 O ATOM 914 CB LEU A 60 6.985 -4.877 2.642 1.00 0.00 C ATOM 915 CG LEU A 60 6.023 -5.657 1.685 1.00 0.00 C ATOM 916 CD1 LEU A 60 5.849 -4.921 0.335 1.00 0.00 C ATOM 917 CD2 LEU A 60 6.513 -7.104 1.465 1.00 0.00 C ATOM 0 H LEU A 60 5.637 -4.422 5.156 1.00 0.00 H new ATOM 0 HA LEU A 60 7.453 -6.470 4.015 1.00 0.00 H new ATOM 0 HB2 LEU A 60 6.637 -3.846 2.707 1.00 0.00 H new ATOM 0 HB3 LEU A 60 7.973 -4.852 2.183 1.00 0.00 H new ATOM 0 HG LEU A 60 5.046 -5.701 2.166 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.175 -5.490 -0.305 1.00 0.00 H new ATOM 0 HD12 LEU A 60 5.431 -3.930 0.512 1.00 0.00 H new ATOM 0 HD13 LEU A 60 6.818 -4.824 -0.154 1.00 0.00 H new ATOM 0 HD21 LEU A 60 5.826 -7.623 0.796 1.00 0.00 H new ATOM 0 HD22 LEU A 60 7.508 -7.088 1.021 1.00 0.00 H new ATOM 0 HD23 LEU A 60 6.551 -7.625 2.422 1.00 0.00 H new ATOM 929 N PRO A 61 9.458 -5.119 4.987 1.00 0.00 N ATOM 930 CA PRO A 61 10.573 -4.334 5.569 1.00 0.00 C ATOM 931 C PRO A 61 10.879 -3.094 4.705 1.00 0.00 C ATOM 932 O PRO A 61 10.659 -3.130 3.497 1.00 0.00 O ATOM 933 CB PRO A 61 11.757 -5.337 5.585 1.00 0.00 C ATOM 934 CG PRO A 61 11.419 -6.352 4.541 1.00 0.00 C ATOM 935 CD PRO A 61 9.913 -6.480 4.570 1.00 0.00 C ATOM 0 HA PRO A 61 10.352 -3.942 6.562 1.00 0.00 H new ATOM 0 HB2 PRO A 61 12.700 -4.838 5.360 1.00 0.00 H new ATOM 0 HB3 PRO A 61 11.868 -5.801 6.565 1.00 0.00 H new ATOM 0 HG2 PRO A 61 11.766 -6.034 3.558 1.00 0.00 H new ATOM 0 HG3 PRO A 61 11.898 -7.308 4.754 1.00 0.00 H new ATOM 0 HD2 PRO A 61 9.514 -6.755 3.594 1.00 0.00 H new ATOM 0 HD3 PRO A 61 9.588 -7.246 5.275 1.00 0.00 H new ATOM 943 N ARG A 62 11.351 -2.009 5.353 1.00 0.00 N ATOM 944 CA ARG A 62 11.657 -0.700 4.707 1.00 0.00 C ATOM 945 C ARG A 62 12.384 -0.807 3.330 1.00 0.00 C ATOM 946 O ARG A 62 12.049 -0.077 2.392 1.00 0.00 O ATOM 947 CB ARG A 62 12.490 0.178 5.680 1.00 0.00 C ATOM 948 CG ARG A 62 13.868 -0.410 6.052 1.00 0.00 C ATOM 949 CD ARG A 62 14.729 0.540 6.892 1.00 0.00 C ATOM 950 NE ARG A 62 16.089 0.003 7.068 1.00 0.00 N ATOM 951 CZ ARG A 62 17.199 0.504 6.507 1.00 0.00 C ATOM 952 NH1 ARG A 62 17.167 1.632 5.803 1.00 0.00 N ATOM 953 NH2 ARG A 62 18.353 -0.129 6.666 1.00 0.00 N ATOM 0 H ARG A 62 11.536 -2.010 6.356 1.00 0.00 H new ATOM 0 HA ARG A 62 10.693 -0.239 4.492 1.00 0.00 H new ATOM 0 HB2 ARG A 62 12.638 1.159 5.228 1.00 0.00 H new ATOM 0 HB3 ARG A 62 11.916 0.331 6.594 1.00 0.00 H new ATOM 0 HG2 ARG A 62 13.721 -1.339 6.603 1.00 0.00 H new ATOM 0 HG3 ARG A 62 14.405 -0.663 5.138 1.00 0.00 H new ATOM 0 HD2 ARG A 62 14.779 1.515 6.408 1.00 0.00 H new ATOM 0 HD3 ARG A 62 14.265 0.691 7.867 1.00 0.00 H new ATOM 0 HE ARG A 62 16.195 -0.817 7.665 1.00 0.00 H new ATOM 0 HH11 ARG A 62 16.287 2.133 5.682 1.00 0.00 H new ATOM 0 HH12 ARG A 62 18.023 1.996 5.384 1.00 0.00 H new ATOM 0 HH21 ARG A 62 18.391 -0.990 7.212 1.00 0.00 H new ATOM 0 HH22 ARG A 62 19.202 0.245 6.243 1.00 0.00 H new ATOM 967 N ASP A 63 13.330 -1.760 3.215 1.00 0.00 N ATOM 968 CA ASP A 63 14.194 -1.918 2.019 1.00 0.00 C ATOM 969 C ASP A 63 13.434 -2.506 0.805 1.00 0.00 C ATOM 970 O ASP A 63 13.862 -2.341 -0.345 1.00 0.00 O ATOM 971 CB ASP A 63 15.406 -2.813 2.385 1.00 0.00 C ATOM 972 CG ASP A 63 16.486 -2.891 1.286 1.00 0.00 C ATOM 973 OD1 ASP A 63 17.293 -1.945 1.166 1.00 0.00 O ATOM 974 OD2 ASP A 63 16.539 -3.895 0.542 1.00 0.00 O ATOM 0 H ASP A 63 13.520 -2.444 3.947 1.00 0.00 H new ATOM 0 HA ASP A 63 14.534 -0.927 1.718 1.00 0.00 H new ATOM 0 HB2 ASP A 63 15.861 -2.434 3.300 1.00 0.00 H new ATOM 0 HB3 ASP A 63 15.049 -3.820 2.600 1.00 0.00 H new ATOM 979 N THR A 64 12.293 -3.159 1.059 1.00 0.00 N ATOM 980 CA THR A 64 11.492 -3.842 0.018 1.00 0.00 C ATOM 981 C THR A 64 10.012 -3.418 0.131 1.00 0.00 C ATOM 982 O THR A 64 9.141 -3.982 -0.543 1.00 0.00 O ATOM 983 CB THR A 64 11.628 -5.396 0.131 1.00 0.00 C ATOM 984 OG1 THR A 64 11.266 -5.811 1.448 1.00 0.00 O ATOM 985 CG2 THR A 64 13.055 -5.890 -0.189 1.00 0.00 C ATOM 0 H THR A 64 11.892 -3.233 1.994 1.00 0.00 H new ATOM 0 HA THR A 64 11.873 -3.545 -0.959 1.00 0.00 H new ATOM 0 HB THR A 64 10.957 -5.836 -0.607 1.00 0.00 H new ATOM 0 HG1 THR A 64 11.349 -6.785 1.519 1.00 0.00 H new ATOM 0 HG21 THR A 64 13.094 -6.975 -0.096 1.00 0.00 H new ATOM 0 HG22 THR A 64 13.319 -5.604 -1.207 1.00 0.00 H new ATOM 0 HG23 THR A 64 13.761 -5.440 0.509 1.00 0.00 H new ATOM 993 N ALA A 65 9.751 -2.392 0.975 1.00 0.00 N ATOM 994 CA ALA A 65 8.409 -1.817 1.182 1.00 0.00 C ATOM 995 C ALA A 65 7.885 -1.169 -0.101 1.00 0.00 C ATOM 996 O ALA A 65 6.693 -1.153 -0.349 1.00 0.00 O ATOM 997 CB ALA A 65 8.438 -0.799 2.331 1.00 0.00 C ATOM 0 H ALA A 65 10.474 -1.939 1.534 1.00 0.00 H new ATOM 0 HA ALA A 65 7.729 -2.625 1.450 1.00 0.00 H new ATOM 0 HB1 ALA A 65 7.441 -0.382 2.473 1.00 0.00 H new ATOM 0 HB2 ALA A 65 8.758 -1.294 3.248 1.00 0.00 H new ATOM 0 HB3 ALA A 65 9.135 0.003 2.089 1.00 0.00 H new ATOM 1003 N PHE A 66 8.823 -0.655 -0.903 1.00 0.00 N ATOM 1004 CA PHE A 66 8.546 0.003 -2.196 1.00 0.00 C ATOM 1005 C PHE A 66 8.048 -0.979 -3.280 1.00 0.00 C ATOM 1006 O PHE A 66 7.516 -0.550 -4.310 1.00 0.00 O ATOM 1007 CB PHE A 66 9.822 0.737 -2.667 1.00 0.00 C ATOM 1008 CG PHE A 66 10.423 1.627 -1.577 1.00 0.00 C ATOM 1009 CD1 PHE A 66 9.773 2.790 -1.169 1.00 0.00 C ATOM 1010 CD2 PHE A 66 11.614 1.277 -0.933 1.00 0.00 C ATOM 1011 CE1 PHE A 66 10.293 3.575 -0.166 1.00 0.00 C ATOM 1012 CE2 PHE A 66 12.129 2.065 0.078 1.00 0.00 C ATOM 1013 CZ PHE A 66 11.470 3.212 0.461 1.00 0.00 C ATOM 0 H PHE A 66 9.816 -0.682 -0.673 1.00 0.00 H new ATOM 0 HA PHE A 66 7.735 0.715 -2.042 1.00 0.00 H new ATOM 0 HB2 PHE A 66 10.564 0.003 -2.982 1.00 0.00 H new ATOM 0 HB3 PHE A 66 9.586 1.346 -3.539 1.00 0.00 H new ATOM 0 HD1 PHE A 66 8.848 3.079 -1.647 1.00 0.00 H new ATOM 0 HD2 PHE A 66 12.137 0.380 -1.230 1.00 0.00 H new ATOM 0 HE1 PHE A 66 9.780 4.477 0.132 1.00 0.00 H new ATOM 0 HE2 PHE A 66 13.049 1.781 0.568 1.00 0.00 H new ATOM 0 HZ PHE A 66 11.873 3.828 1.251 1.00 0.00 H new ATOM 1023 N ASN A 67 8.152 -2.291 -3.008 1.00 0.00 N ATOM 1024 CA ASN A 67 7.616 -3.350 -3.894 1.00 0.00 C ATOM 1025 C ASN A 67 6.094 -3.540 -3.682 1.00 0.00 C ATOM 1026 O ASN A 67 5.476 -4.397 -4.322 1.00 0.00 O ATOM 1027 CB ASN A 67 8.363 -4.686 -3.638 1.00 0.00 C ATOM 1028 CG ASN A 67 9.867 -4.614 -3.917 1.00 0.00 C ATOM 1029 OD1 ASN A 67 10.326 -3.842 -4.758 1.00 0.00 O ATOM 1030 ND2 ASN A 67 10.648 -5.425 -3.221 1.00 0.00 N ATOM 0 H ASN A 67 8.609 -2.652 -2.170 1.00 0.00 H new ATOM 0 HA ASN A 67 7.776 -3.042 -4.927 1.00 0.00 H new ATOM 0 HB2 ASN A 67 8.209 -4.985 -2.601 1.00 0.00 H new ATOM 0 HB3 ASN A 67 7.923 -5.463 -4.263 1.00 0.00 H new ATOM 0 HD21 ASN A 67 11.656 -5.420 -3.376 1.00 0.00 H new ATOM 0 HD22 ASN A 67 10.242 -6.055 -2.530 1.00 0.00 H new ATOM 1037 N PHE A 68 5.494 -2.687 -2.816 1.00 0.00 N ATOM 1038 CA PHE A 68 4.076 -2.769 -2.415 1.00 0.00 C ATOM 1039 C PHE A 68 3.121 -2.445 -3.565 1.00 0.00 C ATOM 1040 O PHE A 68 1.962 -2.792 -3.489 1.00 0.00 O ATOM 1041 CB PHE A 68 3.777 -1.770 -1.261 1.00 0.00 C ATOM 1042 CG PHE A 68 3.662 -0.298 -1.715 1.00 0.00 C ATOM 1043 CD1 PHE A 68 4.759 0.376 -2.254 1.00 0.00 C ATOM 1044 CD2 PHE A 68 2.443 0.387 -1.643 1.00 0.00 C ATOM 1045 CE1 PHE A 68 4.650 1.672 -2.707 1.00 0.00 C ATOM 1046 CE2 PHE A 68 2.340 1.685 -2.090 1.00 0.00 C ATOM 1047 CZ PHE A 68 3.442 2.327 -2.625 1.00 0.00 C ATOM 0 H PHE A 68 5.991 -1.914 -2.373 1.00 0.00 H new ATOM 0 HA PHE A 68 3.913 -3.799 -2.096 1.00 0.00 H new ATOM 0 HB2 PHE A 68 2.847 -2.062 -0.774 1.00 0.00 H new ATOM 0 HB3 PHE A 68 4.567 -1.848 -0.514 1.00 0.00 H new ATOM 0 HD1 PHE A 68 5.712 -0.129 -2.317 1.00 0.00 H new ATOM 0 HD2 PHE A 68 1.575 -0.108 -1.233 1.00 0.00 H new ATOM 0 HE1 PHE A 68 5.510 2.173 -3.126 1.00 0.00 H new ATOM 0 HE2 PHE A 68 1.395 2.204 -2.023 1.00 0.00 H new ATOM 0 HZ PHE A 68 3.355 3.344 -2.979 1.00 0.00 H new ATOM 1057 N ALA A 69 3.599 -1.732 -4.602 1.00 0.00 N ATOM 1058 CA ALA A 69 2.709 -1.177 -5.637 1.00 0.00 C ATOM 1059 C ALA A 69 2.308 -2.294 -6.591 1.00 0.00 C ATOM 1060 O ALA A 69 1.127 -2.491 -6.893 1.00 0.00 O ATOM 1061 CB ALA A 69 3.398 -0.031 -6.371 1.00 0.00 C ATOM 0 H ALA A 69 4.588 -1.528 -4.744 1.00 0.00 H new ATOM 0 HA ALA A 69 1.809 -0.769 -5.177 1.00 0.00 H new ATOM 0 HB1 ALA A 69 2.728 0.368 -7.132 1.00 0.00 H new ATOM 0 HB2 ALA A 69 3.651 0.756 -5.661 1.00 0.00 H new ATOM 0 HB3 ALA A 69 4.308 -0.398 -6.845 1.00 0.00 H new ATOM 1067 N SER A 70 3.335 -3.053 -7.008 1.00 0.00 N ATOM 1068 CA SER A 70 3.185 -4.223 -7.866 1.00 0.00 C ATOM 1069 C SER A 70 2.496 -5.357 -7.087 1.00 0.00 C ATOM 1070 O SER A 70 1.709 -6.109 -7.657 1.00 0.00 O ATOM 1071 CB SER A 70 4.572 -4.679 -8.373 1.00 0.00 C ATOM 1072 OG SER A 70 5.263 -3.616 -9.020 1.00 0.00 O ATOM 0 H SER A 70 4.303 -2.862 -6.751 1.00 0.00 H new ATOM 0 HA SER A 70 2.566 -3.965 -8.725 1.00 0.00 H new ATOM 0 HB2 SER A 70 5.166 -5.044 -7.535 1.00 0.00 H new ATOM 0 HB3 SER A 70 4.452 -5.512 -9.066 1.00 0.00 H new ATOM 0 HG SER A 70 6.137 -3.934 -9.328 1.00 0.00 H new ATOM 1078 N ASP A 71 2.804 -5.448 -5.771 1.00 0.00 N ATOM 1079 CA ASP A 71 2.268 -6.494 -4.880 1.00 0.00 C ATOM 1080 C ASP A 71 0.769 -6.275 -4.584 1.00 0.00 C ATOM 1081 O ASP A 71 -0.022 -7.192 -4.763 1.00 0.00 O ATOM 1082 CB ASP A 71 3.074 -6.544 -3.559 1.00 0.00 C ATOM 1083 CG ASP A 71 2.653 -7.703 -2.632 1.00 0.00 C ATOM 1084 OD1 ASP A 71 3.206 -8.817 -2.764 1.00 0.00 O ATOM 1085 OD2 ASP A 71 1.770 -7.511 -1.771 1.00 0.00 O ATOM 0 H ASP A 71 3.432 -4.796 -5.301 1.00 0.00 H new ATOM 0 HA ASP A 71 2.370 -7.450 -5.394 1.00 0.00 H new ATOM 0 HB2 ASP A 71 4.134 -6.641 -3.792 1.00 0.00 H new ATOM 0 HB3 ASP A 71 2.949 -5.600 -3.029 1.00 0.00 H new ATOM 1090 N ALA A 72 0.420 -5.070 -4.087 1.00 0.00 N ATOM 1091 CA ALA A 72 -0.978 -4.654 -3.809 1.00 0.00 C ATOM 1092 C ALA A 72 -1.893 -4.865 -5.026 1.00 0.00 C ATOM 1093 O ALA A 72 -3.002 -5.383 -4.885 1.00 0.00 O ATOM 1094 CB ALA A 72 -1.043 -3.188 -3.346 1.00 0.00 C ATOM 0 H ALA A 72 1.105 -4.348 -3.864 1.00 0.00 H new ATOM 0 HA ALA A 72 -1.340 -5.291 -3.002 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -2.080 -2.914 -3.151 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -0.458 -3.068 -2.434 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -0.638 -2.542 -4.125 1.00 0.00 H new ATOM 1100 N THR A 73 -1.405 -4.469 -6.218 1.00 0.00 N ATOM 1101 CA THR A 73 -2.113 -4.706 -7.485 1.00 0.00 C ATOM 1102 C THR A 73 -2.250 -6.221 -7.747 1.00 0.00 C ATOM 1103 O THR A 73 -3.347 -6.702 -8.007 1.00 0.00 O ATOM 1104 CB THR A 73 -1.373 -4.005 -8.676 1.00 0.00 C ATOM 1105 OG1 THR A 73 -1.306 -2.589 -8.429 1.00 0.00 O ATOM 1106 CG2 THR A 73 -2.062 -4.252 -10.037 1.00 0.00 C ATOM 0 H THR A 73 -0.516 -3.980 -6.326 1.00 0.00 H new ATOM 0 HA THR A 73 -3.111 -4.275 -7.407 1.00 0.00 H new ATOM 0 HB THR A 73 -0.374 -4.437 -8.734 1.00 0.00 H new ATOM 0 HG1 THR A 73 -0.507 -2.387 -7.898 1.00 0.00 H new ATOM 0 HG21 THR A 73 -1.506 -3.743 -10.824 1.00 0.00 H new ATOM 0 HG22 THR A 73 -2.086 -5.322 -10.244 1.00 0.00 H new ATOM 0 HG23 THR A 73 -3.081 -3.866 -10.005 1.00 0.00 H new ATOM 1114 N ARG A 74 -1.121 -6.944 -7.618 1.00 0.00 N ATOM 1115 CA ARG A 74 -1.039 -8.409 -7.824 1.00 0.00 C ATOM 1116 C ARG A 74 -2.112 -9.167 -7.016 1.00 0.00 C ATOM 1117 O ARG A 74 -2.886 -9.933 -7.583 1.00 0.00 O ATOM 1118 CB ARG A 74 0.378 -8.921 -7.429 1.00 0.00 C ATOM 1119 CG ARG A 74 0.616 -10.433 -7.624 1.00 0.00 C ATOM 1120 CD ARG A 74 1.965 -10.906 -7.045 1.00 0.00 C ATOM 1121 NE ARG A 74 2.035 -10.754 -5.570 1.00 0.00 N ATOM 1122 CZ ARG A 74 2.210 -11.761 -4.691 1.00 0.00 C ATOM 1123 NH1 ARG A 74 2.285 -13.026 -5.102 1.00 0.00 N ATOM 1124 NH2 ARG A 74 2.302 -11.492 -3.398 1.00 0.00 N ATOM 0 H ARG A 74 -0.227 -6.524 -7.364 1.00 0.00 H new ATOM 0 HA ARG A 74 -1.222 -8.603 -8.881 1.00 0.00 H new ATOM 0 HB2 ARG A 74 1.118 -8.376 -8.014 1.00 0.00 H new ATOM 0 HB3 ARG A 74 0.555 -8.675 -6.382 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -0.193 -10.988 -7.148 1.00 0.00 H new ATOM 0 HG3 ARG A 74 0.580 -10.667 -8.688 1.00 0.00 H new ATOM 0 HD2 ARG A 74 2.122 -11.952 -7.307 1.00 0.00 H new ATOM 0 HD3 ARG A 74 2.773 -10.337 -7.504 1.00 0.00 H new ATOM 0 HE ARG A 74 1.943 -9.811 -5.191 1.00 0.00 H new ATOM 0 HH11 ARG A 74 2.210 -13.245 -6.095 1.00 0.00 H new ATOM 0 HH12 ARG A 74 2.418 -13.776 -4.423 1.00 0.00 H new ATOM 0 HH21 ARG A 74 2.240 -10.527 -3.072 1.00 0.00 H new ATOM 0 HH22 ARG A 74 2.434 -12.249 -2.728 1.00 0.00 H new ATOM 1138 N VAL A 75 -2.169 -8.898 -5.699 1.00 0.00 N ATOM 1139 CA VAL A 75 -3.074 -9.610 -4.774 1.00 0.00 C ATOM 1140 C VAL A 75 -4.530 -9.163 -4.992 1.00 0.00 C ATOM 1141 O VAL A 75 -5.453 -9.983 -4.883 1.00 0.00 O ATOM 1142 CB VAL A 75 -2.627 -9.457 -3.259 1.00 0.00 C ATOM 1143 CG1 VAL A 75 -2.490 -7.986 -2.840 1.00 0.00 C ATOM 1144 CG2 VAL A 75 -3.578 -10.215 -2.286 1.00 0.00 C ATOM 0 H VAL A 75 -1.594 -8.187 -5.247 1.00 0.00 H new ATOM 0 HA VAL A 75 -3.010 -10.674 -5.003 1.00 0.00 H new ATOM 0 HB VAL A 75 -1.641 -9.917 -3.189 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -2.182 -7.932 -1.796 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -1.742 -7.498 -3.464 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -3.449 -7.482 -2.962 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -3.232 -10.081 -1.261 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -4.589 -9.818 -2.382 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -3.580 -11.277 -2.533 1.00 0.00 H new ATOM 1154 N ALA A 76 -4.728 -7.883 -5.376 1.00 0.00 N ATOM 1155 CA ALA A 76 -6.073 -7.309 -5.566 1.00 0.00 C ATOM 1156 C ALA A 76 -6.735 -7.925 -6.808 1.00 0.00 C ATOM 1157 O ALA A 76 -7.912 -8.270 -6.768 1.00 0.00 O ATOM 1158 CB ALA A 76 -6.009 -5.783 -5.689 1.00 0.00 C ATOM 0 H ALA A 76 -3.968 -7.228 -5.560 1.00 0.00 H new ATOM 0 HA ALA A 76 -6.676 -7.546 -4.690 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -7.015 -5.387 -5.828 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -5.576 -5.363 -4.781 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -5.391 -5.513 -6.545 1.00 0.00 H new ATOM 1164 N GLN A 77 -5.930 -8.084 -7.884 1.00 0.00 N ATOM 1165 CA GLN A 77 -6.357 -8.683 -9.178 1.00 0.00 C ATOM 1166 C GLN A 77 -6.988 -10.081 -9.015 1.00 0.00 C ATOM 1167 O GLN A 77 -7.899 -10.447 -9.769 1.00 0.00 O ATOM 1168 CB GLN A 77 -5.155 -8.773 -10.164 1.00 0.00 C ATOM 1169 CG GLN A 77 -4.673 -7.423 -10.740 1.00 0.00 C ATOM 1170 CD GLN A 77 -3.390 -7.545 -11.578 1.00 0.00 C ATOM 1171 OE1 GLN A 77 -2.547 -8.415 -11.336 1.00 0.00 O ATOM 1172 NE2 GLN A 77 -3.226 -6.672 -12.559 1.00 0.00 N ATOM 0 H GLN A 77 -4.951 -7.797 -7.882 1.00 0.00 H new ATOM 0 HA GLN A 77 -7.123 -8.021 -9.581 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -4.320 -9.249 -9.651 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -5.433 -9.424 -10.992 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -5.463 -6.996 -11.358 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -4.498 -6.727 -9.920 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -3.939 -5.964 -12.736 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -2.387 -6.707 -13.138 1.00 0.00 H new ATOM 1181 N LYS A 78 -6.534 -10.827 -7.992 1.00 0.00 N ATOM 1182 CA LYS A 78 -6.982 -12.215 -7.729 1.00 0.00 C ATOM 1183 C LYS A 78 -8.402 -12.237 -7.113 1.00 0.00 C ATOM 1184 O LYS A 78 -8.993 -13.304 -6.960 1.00 0.00 O ATOM 1185 CB LYS A 78 -5.942 -12.984 -6.844 1.00 0.00 C ATOM 1186 CG LYS A 78 -4.762 -13.639 -7.621 1.00 0.00 C ATOM 1187 CD LYS A 78 -3.982 -12.644 -8.504 1.00 0.00 C ATOM 1188 CE LYS A 78 -2.768 -13.272 -9.214 1.00 0.00 C ATOM 1189 NZ LYS A 78 -2.055 -12.281 -10.061 1.00 0.00 N ATOM 0 H LYS A 78 -5.845 -10.488 -7.321 1.00 0.00 H new ATOM 0 HA LYS A 78 -7.041 -12.739 -8.683 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -5.532 -12.291 -6.110 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -6.467 -13.762 -6.289 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -4.076 -14.095 -6.907 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -5.151 -14.442 -8.248 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -4.657 -12.230 -9.253 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -3.642 -11.813 -7.887 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -2.081 -13.677 -8.471 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -3.099 -14.107 -9.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -1.244 -12.739 -10.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -2.704 -11.913 -10.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -1.718 -11.496 -9.468 1.00 0.00 H new ATOM 1203 N HIS A 79 -8.937 -11.048 -6.766 1.00 0.00 N ATOM 1204 CA HIS A 79 -10.329 -10.885 -6.280 1.00 0.00 C ATOM 1205 C HIS A 79 -11.283 -10.554 -7.454 1.00 0.00 C ATOM 1206 O HIS A 79 -12.465 -10.263 -7.229 1.00 0.00 O ATOM 1207 CB HIS A 79 -10.409 -9.754 -5.226 1.00 0.00 C ATOM 1208 CG HIS A 79 -9.550 -9.956 -4.006 1.00 0.00 C ATOM 1209 ND1 HIS A 79 -8.203 -9.670 -3.984 1.00 0.00 N ATOM 1210 CD2 HIS A 79 -9.850 -10.398 -2.761 1.00 0.00 C ATOM 1211 CE1 HIS A 79 -7.722 -9.924 -2.787 1.00 0.00 C ATOM 1212 NE2 HIS A 79 -8.697 -10.367 -2.032 1.00 0.00 N ATOM 0 H HIS A 79 -8.418 -10.171 -6.814 1.00 0.00 H new ATOM 0 HA HIS A 79 -10.634 -11.826 -5.823 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -10.124 -8.815 -5.701 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -11.446 -9.648 -4.908 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -10.821 -10.716 -2.411 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -6.696 -9.790 -2.478 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -8.608 -10.645 -1.055 1.00 0.00 H new ATOM 1221 N GLY A 80 -10.766 -10.622 -8.701 1.00 0.00 N ATOM 1222 CA GLY A 80 -11.556 -10.328 -9.900 1.00 0.00 C ATOM 1223 C GLY A 80 -11.439 -8.886 -10.391 1.00 0.00 C ATOM 1224 O GLY A 80 -12.425 -8.138 -10.365 1.00 0.00 O ATOM 0 H GLY A 80 -9.799 -10.880 -8.895 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -11.244 -10.999 -10.700 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -12.604 -10.545 -9.693 1.00 0.00 H new ATOM 1228 N LEU A 81 -10.225 -8.481 -10.823 1.00 0.00 N ATOM 1229 CA LEU A 81 -10.013 -7.208 -11.563 1.00 0.00 C ATOM 1230 C LEU A 81 -9.817 -7.511 -13.054 1.00 0.00 C ATOM 1231 O LEU A 81 -9.177 -8.501 -13.411 1.00 0.00 O ATOM 1232 CB LEU A 81 -8.773 -6.397 -11.047 1.00 0.00 C ATOM 1233 CG LEU A 81 -9.007 -5.462 -9.818 1.00 0.00 C ATOM 1234 CD1 LEU A 81 -9.483 -6.244 -8.596 1.00 0.00 C ATOM 1235 CD2 LEU A 81 -7.739 -4.637 -9.486 1.00 0.00 C ATOM 0 H LEU A 81 -9.370 -9.017 -10.673 1.00 0.00 H new ATOM 0 HA LEU A 81 -10.899 -6.595 -11.397 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -7.986 -7.106 -10.790 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -8.398 -5.789 -11.870 1.00 0.00 H new ATOM 0 HG LEU A 81 -9.799 -4.765 -10.093 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -9.635 -5.559 -7.762 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -10.422 -6.746 -8.828 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -8.733 -6.986 -8.324 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -7.936 -3.997 -8.626 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -6.916 -5.313 -9.254 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -7.472 -4.020 -10.344 1.00 0.00 H new ATOM 1247 N HIS A 82 -10.363 -6.636 -13.907 1.00 0.00 N ATOM 1248 CA HIS A 82 -10.082 -6.605 -15.348 1.00 0.00 C ATOM 1249 C HIS A 82 -9.291 -5.318 -15.647 1.00 0.00 C ATOM 1250 O HIS A 82 -9.892 -4.237 -15.734 1.00 0.00 O ATOM 1251 CB HIS A 82 -11.392 -6.656 -16.189 1.00 0.00 C ATOM 1252 CG HIS A 82 -12.086 -8.000 -16.195 1.00 0.00 C ATOM 1253 ND1 HIS A 82 -11.828 -8.968 -17.142 1.00 0.00 N ATOM 1254 CD2 HIS A 82 -13.016 -8.536 -15.369 1.00 0.00 C ATOM 1255 CE1 HIS A 82 -12.557 -10.034 -16.897 1.00 0.00 C ATOM 1256 NE2 HIS A 82 -13.288 -9.802 -15.827 1.00 0.00 N ATOM 0 H HIS A 82 -11.024 -5.917 -13.611 1.00 0.00 H new ATOM 0 HA HIS A 82 -9.499 -7.483 -15.626 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -12.084 -5.907 -15.805 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -11.159 -6.378 -17.217 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -13.461 -8.057 -14.510 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -12.556 -10.946 -17.476 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -13.949 -10.456 -15.407 1.00 0.00 H new ATOM 1265 N PRO A 83 -7.913 -5.397 -15.770 1.00 0.00 N ATOM 1266 CA PRO A 83 -7.043 -4.233 -16.143 1.00 0.00 C ATOM 1267 C PRO A 83 -7.369 -3.621 -17.528 1.00 0.00 C ATOM 1268 O PRO A 83 -6.792 -2.591 -17.909 1.00 0.00 O ATOM 1269 CB PRO A 83 -5.601 -4.827 -16.108 1.00 0.00 C ATOM 1270 CG PRO A 83 -5.713 -6.037 -15.227 1.00 0.00 C ATOM 1271 CD PRO A 83 -7.084 -6.610 -15.508 1.00 0.00 C ATOM 0 HA PRO A 83 -7.190 -3.397 -15.459 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -5.258 -5.094 -17.107 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -4.886 -4.109 -15.707 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -4.930 -6.761 -15.452 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -5.607 -5.769 -14.176 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -7.071 -7.282 -16.366 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -7.463 -7.182 -14.661 1.00 0.00 H new ATOM 1279 N LYS A 84 -8.292 -4.277 -18.266 1.00 0.00 N ATOM 1280 CA LYS A 84 -8.852 -3.781 -19.532 1.00 0.00 C ATOM 1281 C LYS A 84 -9.545 -2.413 -19.313 1.00 0.00 C ATOM 1282 O LYS A 84 -9.448 -1.523 -20.166 1.00 0.00 O ATOM 1283 CB LYS A 84 -9.816 -4.861 -20.128 1.00 0.00 C ATOM 1284 CG LYS A 84 -10.249 -4.660 -21.616 1.00 0.00 C ATOM 1285 CD LYS A 84 -11.442 -3.694 -21.804 1.00 0.00 C ATOM 1286 CE LYS A 84 -11.804 -3.459 -23.280 1.00 0.00 C ATOM 1287 NZ LYS A 84 -10.707 -2.800 -24.043 1.00 0.00 N ATOM 0 H LYS A 84 -8.672 -5.182 -17.989 1.00 0.00 H new ATOM 0 HA LYS A 84 -8.056 -3.613 -20.257 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -9.334 -5.835 -20.041 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -10.715 -4.894 -19.512 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -9.398 -4.283 -22.183 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -10.510 -5.629 -22.041 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -12.311 -4.095 -21.283 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -11.204 -2.738 -21.338 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -12.043 -4.414 -23.748 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -12.701 -2.843 -23.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -11.044 -2.558 -24.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -10.413 -1.933 -23.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -9.897 -3.448 -24.116 1.00 0.00 H new ATOM 1301 N PHE A 85 -10.236 -2.248 -18.164 1.00 0.00 N ATOM 1302 CA PHE A 85 -10.828 -0.946 -17.781 1.00 0.00 C ATOM 1303 C PHE A 85 -9.826 -0.097 -16.958 1.00 0.00 C ATOM 1304 O PHE A 85 -9.967 1.130 -16.881 1.00 0.00 O ATOM 1305 CB PHE A 85 -12.158 -1.135 -16.998 1.00 0.00 C ATOM 1306 CG PHE A 85 -12.941 0.175 -16.816 1.00 0.00 C ATOM 1307 CD1 PHE A 85 -13.439 0.855 -17.930 1.00 0.00 C ATOM 1308 CD2 PHE A 85 -13.142 0.744 -15.559 1.00 0.00 C ATOM 1309 CE1 PHE A 85 -14.116 2.050 -17.792 1.00 0.00 C ATOM 1310 CE2 PHE A 85 -13.818 1.945 -15.426 1.00 0.00 C ATOM 1311 CZ PHE A 85 -14.306 2.594 -16.543 1.00 0.00 C ATOM 0 H PHE A 85 -10.397 -2.995 -17.489 1.00 0.00 H new ATOM 0 HA PHE A 85 -11.055 -0.408 -18.702 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -12.784 -1.855 -17.525 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -11.939 -1.560 -16.018 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -13.292 0.439 -18.916 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -12.766 0.242 -14.679 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -14.497 2.558 -18.665 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -13.964 2.375 -14.446 1.00 0.00 H new ATOM 0 HZ PHE A 85 -14.837 3.528 -16.436 1.00 0.00 H new ATOM 1321 N GLY A 86 -8.821 -0.763 -16.350 1.00 0.00 N ATOM 1322 CA GLY A 86 -7.805 -0.101 -15.512 1.00 0.00 C ATOM 1323 C GLY A 86 -6.773 0.707 -16.314 1.00 0.00 C ATOM 1324 O GLY A 86 -7.150 1.527 -17.159 1.00 0.00 O ATOM 0 H GLY A 86 -8.694 -1.772 -16.428 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -8.305 0.563 -14.807 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -7.284 -0.856 -14.924 1.00 0.00 H new ATOM 1328 N ALA A 87 -5.473 0.483 -16.052 1.00 0.00 N ATOM 1329 CA ALA A 87 -4.377 1.206 -16.728 1.00 0.00 C ATOM 1330 C ALA A 87 -3.162 0.279 -16.901 1.00 0.00 C ATOM 1331 O ALA A 87 -2.356 0.113 -15.978 1.00 0.00 O ATOM 1332 CB ALA A 87 -4.011 2.487 -15.944 1.00 0.00 C ATOM 0 H ALA A 87 -5.152 -0.202 -15.368 1.00 0.00 H new ATOM 0 HA ALA A 87 -4.708 1.513 -17.720 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -3.202 3.008 -16.456 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -4.882 3.139 -15.885 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -3.690 2.218 -14.937 1.00 0.00 H new ATOM 1338 N ILE A 88 -3.072 -0.364 -18.079 1.00 0.00 N ATOM 1339 CA ILE A 88 -1.993 -1.320 -18.407 1.00 0.00 C ATOM 1340 C ILE A 88 -0.890 -0.632 -19.259 1.00 0.00 C ATOM 1341 O ILE A 88 0.308 -0.844 -19.026 1.00 0.00 O ATOM 1342 CB ILE A 88 -2.581 -2.600 -19.131 1.00 0.00 C ATOM 1343 CG1 ILE A 88 -1.473 -3.692 -19.354 1.00 0.00 C ATOM 1344 CG2 ILE A 88 -3.295 -2.227 -20.463 1.00 0.00 C ATOM 1345 CD1 ILE A 88 -1.962 -4.993 -19.977 1.00 0.00 C ATOM 0 H ILE A 88 -3.746 -0.237 -18.834 1.00 0.00 H new ATOM 0 HA ILE A 88 -1.529 -1.653 -17.479 1.00 0.00 H new ATOM 0 HB ILE A 88 -3.335 -3.031 -18.472 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -0.695 -3.272 -19.991 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -1.010 -3.919 -18.394 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -3.686 -3.130 -20.932 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -4.117 -1.541 -20.256 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -2.583 -1.748 -21.136 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -1.123 -5.680 -20.089 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -2.717 -5.444 -19.333 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -2.396 -4.787 -20.955 1.00 0.00 H new ATOM 1357 N THR A 89 -1.310 0.200 -20.234 1.00 0.00 N ATOM 1358 CA THR A 89 -0.400 0.970 -21.106 1.00 0.00 C ATOM 1359 C THR A 89 -0.093 2.343 -20.476 1.00 0.00 C ATOM 1360 O THR A 89 1.017 2.878 -20.626 1.00 0.00 O ATOM 1361 CB THR A 89 -1.031 1.156 -22.528 1.00 0.00 C ATOM 1362 OG1 THR A 89 -1.460 -0.119 -23.038 1.00 0.00 O ATOM 1363 CG2 THR A 89 -0.051 1.791 -23.534 1.00 0.00 C ATOM 0 H THR A 89 -2.297 0.357 -20.440 1.00 0.00 H new ATOM 0 HA THR A 89 0.532 0.415 -21.210 1.00 0.00 H new ATOM 0 HB THR A 89 -1.877 1.834 -22.414 1.00 0.00 H new ATOM 0 HG1 THR A 89 -1.856 0.000 -23.927 1.00 0.00 H new ATOM 0 HG21 THR A 89 -0.541 1.896 -24.502 1.00 0.00 H new ATOM 0 HG22 THR A 89 0.255 2.773 -23.173 1.00 0.00 H new ATOM 0 HG23 THR A 89 0.827 1.153 -23.639 1.00 0.00 H new ATOM 1371 N ARG A 90 -1.096 2.902 -19.767 1.00 0.00 N ATOM 1372 CA ARG A 90 -0.951 4.163 -19.027 1.00 0.00 C ATOM 1373 C ARG A 90 -0.159 3.908 -17.737 1.00 0.00 C ATOM 1374 O ARG A 90 -0.737 3.613 -16.677 1.00 0.00 O ATOM 1375 CB ARG A 90 -2.346 4.793 -18.725 1.00 0.00 C ATOM 1376 CG ARG A 90 -3.149 5.196 -19.983 1.00 0.00 C ATOM 1377 CD ARG A 90 -2.491 6.338 -20.779 1.00 0.00 C ATOM 1378 NE ARG A 90 -3.197 6.596 -22.055 1.00 0.00 N ATOM 1379 CZ ARG A 90 -3.588 7.798 -22.519 1.00 0.00 C ATOM 1380 NH1 ARG A 90 -3.446 8.892 -21.789 1.00 0.00 N ATOM 1381 NH2 ARG A 90 -4.139 7.887 -23.722 1.00 0.00 N ATOM 0 H ARG A 90 -2.026 2.489 -19.695 1.00 0.00 H new ATOM 0 HA ARG A 90 -0.401 4.879 -19.638 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -2.935 4.082 -18.145 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -2.206 5.675 -18.100 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -3.259 4.326 -20.631 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -4.152 5.500 -19.684 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -2.486 7.246 -20.176 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -1.450 6.086 -20.984 1.00 0.00 H new ATOM 0 HE ARG A 90 -3.407 5.786 -22.638 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -3.034 8.834 -20.858 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -3.748 9.794 -22.158 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -4.264 7.048 -24.289 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -4.438 8.794 -24.080 1.00 0.00 H new ATOM 1395 N VAL A 91 1.178 3.960 -17.865 1.00 0.00 N ATOM 1396 CA VAL A 91 2.103 3.752 -16.746 1.00 0.00 C ATOM 1397 C VAL A 91 2.122 5.026 -15.881 1.00 0.00 C ATOM 1398 O VAL A 91 2.842 5.992 -16.181 1.00 0.00 O ATOM 1399 CB VAL A 91 3.550 3.376 -17.249 1.00 0.00 C ATOM 1400 CG1 VAL A 91 4.478 2.991 -16.071 1.00 0.00 C ATOM 1401 CG2 VAL A 91 3.489 2.241 -18.304 1.00 0.00 C ATOM 0 H VAL A 91 1.645 4.148 -18.752 1.00 0.00 H new ATOM 0 HA VAL A 91 1.758 2.910 -16.146 1.00 0.00 H new ATOM 0 HB VAL A 91 3.975 4.260 -17.725 1.00 0.00 H new ATOM 0 HG11 VAL A 91 5.467 2.738 -16.454 1.00 0.00 H new ATOM 0 HG12 VAL A 91 4.560 3.832 -15.383 1.00 0.00 H new ATOM 0 HG13 VAL A 91 4.062 2.132 -15.546 1.00 0.00 H new ATOM 0 HG21 VAL A 91 4.498 1.999 -18.636 1.00 0.00 H new ATOM 0 HG22 VAL A 91 3.031 1.357 -17.861 1.00 0.00 H new ATOM 0 HG23 VAL A 91 2.895 2.569 -19.157 1.00 0.00 H new ATOM 1411 N HIS A 92 1.251 5.032 -14.859 1.00 0.00 N ATOM 1412 CA HIS A 92 1.027 6.194 -13.986 1.00 0.00 C ATOM 1413 C HIS A 92 2.207 6.409 -13.005 1.00 0.00 C ATOM 1414 O HIS A 92 2.471 5.578 -12.125 1.00 0.00 O ATOM 1415 CB HIS A 92 -0.340 6.074 -13.232 1.00 0.00 C ATOM 1416 CG HIS A 92 -0.507 4.875 -12.313 1.00 0.00 C ATOM 1417 ND1 HIS A 92 -0.892 4.982 -10.990 1.00 0.00 N ATOM 1418 CD2 HIS A 92 -0.357 3.542 -12.540 1.00 0.00 C ATOM 1419 CE1 HIS A 92 -0.975 3.779 -10.457 1.00 0.00 C ATOM 1420 NE2 HIS A 92 -0.657 2.889 -11.373 1.00 0.00 N ATOM 0 H HIS A 92 0.679 4.224 -14.614 1.00 0.00 H new ATOM 0 HA HIS A 92 0.977 7.079 -14.620 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -0.484 6.979 -12.641 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -1.138 6.048 -13.975 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -0.056 3.082 -13.470 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -1.257 3.560 -9.438 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -0.637 1.878 -11.237 1.00 0.00 H new ATOM 1429 N LYS A 93 2.891 7.565 -13.151 1.00 0.00 N ATOM 1430 CA LYS A 93 4.037 7.966 -12.293 1.00 0.00 C ATOM 1431 C LYS A 93 3.568 8.491 -10.916 1.00 0.00 C ATOM 1432 O LYS A 93 4.347 9.077 -10.162 1.00 0.00 O ATOM 1433 CB LYS A 93 4.910 9.014 -13.032 1.00 0.00 C ATOM 1434 CG LYS A 93 4.172 10.318 -13.420 1.00 0.00 C ATOM 1435 CD LYS A 93 5.065 11.281 -14.235 1.00 0.00 C ATOM 1436 CE LYS A 93 4.337 12.581 -14.625 1.00 0.00 C ATOM 1437 NZ LYS A 93 5.173 13.446 -15.496 1.00 0.00 N ATOM 0 H LYS A 93 2.665 8.252 -13.870 1.00 0.00 H new ATOM 0 HA LYS A 93 4.644 7.081 -12.099 1.00 0.00 H new ATOM 0 HB2 LYS A 93 5.760 9.269 -12.399 1.00 0.00 H new ATOM 0 HB3 LYS A 93 5.312 8.558 -13.937 1.00 0.00 H new ATOM 0 HG2 LYS A 93 3.284 10.070 -14.002 1.00 0.00 H new ATOM 0 HG3 LYS A 93 3.830 10.822 -12.516 1.00 0.00 H new ATOM 0 HD2 LYS A 93 5.953 11.527 -13.652 1.00 0.00 H new ATOM 0 HD3 LYS A 93 5.407 10.776 -15.138 1.00 0.00 H new ATOM 0 HE2 LYS A 93 3.409 12.336 -15.141 1.00 0.00 H new ATOM 0 HE3 LYS A 93 4.065 13.129 -13.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 4.646 14.310 -15.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 6.048 13.701 -14.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 5.411 12.933 -16.369 1.00 0.00 H new ATOM 1451 N GLU A 94 2.281 8.261 -10.605 1.00 0.00 N ATOM 1452 CA GLU A 94 1.722 8.433 -9.258 1.00 0.00 C ATOM 1453 C GLU A 94 2.366 7.436 -8.280 1.00 0.00 C ATOM 1454 O GLU A 94 2.373 7.666 -7.064 1.00 0.00 O ATOM 1455 CB GLU A 94 0.192 8.234 -9.314 1.00 0.00 C ATOM 1456 CG GLU A 94 -0.511 9.133 -10.356 1.00 0.00 C ATOM 1457 CD GLU A 94 -1.996 8.809 -10.528 1.00 0.00 C ATOM 1458 OE1 GLU A 94 -2.329 7.618 -10.735 1.00 0.00 O ATOM 1459 OE2 GLU A 94 -2.833 9.728 -10.503 1.00 0.00 O ATOM 0 H GLU A 94 1.594 7.947 -11.291 1.00 0.00 H new ATOM 0 HA GLU A 94 1.938 9.440 -8.900 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -0.022 7.190 -9.544 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -0.229 8.436 -8.329 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -0.406 10.176 -10.057 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -0.009 9.025 -11.317 1.00 0.00 H new ATOM 1466 N TYR A 95 2.886 6.307 -8.832 1.00 0.00 N ATOM 1467 CA TYR A 95 3.739 5.391 -8.077 1.00 0.00 C ATOM 1468 C TYR A 95 5.018 6.121 -7.650 1.00 0.00 C ATOM 1469 O TYR A 95 5.364 6.053 -6.499 1.00 0.00 O ATOM 1470 CB TYR A 95 4.081 4.094 -8.873 1.00 0.00 C ATOM 1471 CG TYR A 95 5.225 3.255 -8.242 1.00 0.00 C ATOM 1472 CD1 TYR A 95 5.198 2.885 -6.889 1.00 0.00 C ATOM 1473 CD2 TYR A 95 6.358 2.894 -8.978 1.00 0.00 C ATOM 1474 CE1 TYR A 95 6.244 2.184 -6.313 1.00 0.00 C ATOM 1475 CE2 TYR A 95 7.406 2.201 -8.401 1.00 0.00 C ATOM 1476 CZ TYR A 95 7.345 1.848 -7.072 1.00 0.00 C ATOM 1477 OH TYR A 95 8.396 1.176 -6.500 1.00 0.00 O ATOM 0 H TYR A 95 2.721 6.022 -9.797 1.00 0.00 H new ATOM 0 HA TYR A 95 3.185 5.071 -7.194 1.00 0.00 H new ATOM 0 HB2 TYR A 95 3.186 3.476 -8.944 1.00 0.00 H new ATOM 0 HB3 TYR A 95 4.362 4.367 -9.890 1.00 0.00 H new ATOM 0 HD1 TYR A 95 4.344 3.152 -6.284 1.00 0.00 H new ATOM 0 HD2 TYR A 95 6.416 3.163 -10.022 1.00 0.00 H new ATOM 0 HE1 TYR A 95 6.198 1.901 -5.272 1.00 0.00 H new ATOM 0 HE2 TYR A 95 8.271 1.937 -8.992 1.00 0.00 H new ATOM 0 HH TYR A 95 8.067 0.622 -5.762 1.00 0.00 H new ATOM 1487 N ASP A 96 5.695 6.818 -8.585 1.00 0.00 N ATOM 1488 CA ASP A 96 6.935 7.590 -8.284 1.00 0.00 C ATOM 1489 C ASP A 96 6.704 8.609 -7.147 1.00 0.00 C ATOM 1490 O ASP A 96 7.604 8.864 -6.334 1.00 0.00 O ATOM 1491 CB ASP A 96 7.444 8.321 -9.556 1.00 0.00 C ATOM 1492 CG ASP A 96 7.875 7.357 -10.675 1.00 0.00 C ATOM 1493 OD1 ASP A 96 7.005 6.669 -11.252 1.00 0.00 O ATOM 1494 OD2 ASP A 96 9.084 7.268 -10.978 1.00 0.00 O ATOM 0 H ASP A 96 5.408 6.867 -9.563 1.00 0.00 H new ATOM 0 HA ASP A 96 7.693 6.879 -7.954 1.00 0.00 H new ATOM 0 HB2 ASP A 96 6.657 8.975 -9.931 1.00 0.00 H new ATOM 0 HB3 ASP A 96 8.287 8.958 -9.289 1.00 0.00 H new ATOM 1499 N ALA A 97 5.476 9.161 -7.102 1.00 0.00 N ATOM 1500 CA ALA A 97 5.050 10.099 -6.056 1.00 0.00 C ATOM 1501 C ALA A 97 4.971 9.407 -4.673 1.00 0.00 C ATOM 1502 O ALA A 97 5.524 9.906 -3.692 1.00 0.00 O ATOM 1503 CB ALA A 97 3.688 10.719 -6.435 1.00 0.00 C ATOM 0 H ALA A 97 4.753 8.966 -7.794 1.00 0.00 H new ATOM 0 HA ALA A 97 5.795 10.891 -5.981 1.00 0.00 H new ATOM 0 HB1 ALA A 97 3.375 11.414 -5.656 1.00 0.00 H new ATOM 0 HB2 ALA A 97 3.782 11.252 -7.381 1.00 0.00 H new ATOM 0 HB3 ALA A 97 2.944 9.929 -6.536 1.00 0.00 H new ATOM 1509 N MET A 98 4.275 8.251 -4.625 1.00 0.00 N ATOM 1510 CA MET A 98 4.054 7.471 -3.379 1.00 0.00 C ATOM 1511 C MET A 98 5.333 6.768 -2.888 1.00 0.00 C ATOM 1512 O MET A 98 5.551 6.633 -1.693 1.00 0.00 O ATOM 1513 CB MET A 98 2.938 6.434 -3.627 1.00 0.00 C ATOM 1514 CG MET A 98 2.336 5.812 -2.355 1.00 0.00 C ATOM 1515 SD MET A 98 1.063 4.585 -2.724 1.00 0.00 S ATOM 1516 CE MET A 98 0.087 5.426 -3.968 1.00 0.00 C ATOM 0 H MET A 98 3.848 7.828 -5.449 1.00 0.00 H new ATOM 0 HA MET A 98 3.758 8.168 -2.594 1.00 0.00 H new ATOM 0 HB2 MET A 98 2.138 6.911 -4.194 1.00 0.00 H new ATOM 0 HB3 MET A 98 3.337 5.634 -4.251 1.00 0.00 H new ATOM 0 HG2 MET A 98 3.129 5.344 -1.772 1.00 0.00 H new ATOM 0 HG3 MET A 98 1.908 6.600 -1.736 1.00 0.00 H new ATOM 0 HE1 MET A 98 -0.969 5.362 -3.707 1.00 0.00 H new ATOM 0 HE2 MET A 98 0.385 6.473 -4.018 1.00 0.00 H new ATOM 0 HE3 MET A 98 0.250 4.956 -4.938 1.00 0.00 H new ATOM 1526 N PHE A 99 6.121 6.285 -3.848 1.00 0.00 N ATOM 1527 CA PHE A 99 7.470 5.728 -3.647 1.00 0.00 C ATOM 1528 C PHE A 99 8.332 6.702 -2.838 1.00 0.00 C ATOM 1529 O PHE A 99 8.972 6.316 -1.851 1.00 0.00 O ATOM 1530 CB PHE A 99 8.108 5.440 -5.041 1.00 0.00 C ATOM 1531 CG PHE A 99 9.597 5.070 -5.022 1.00 0.00 C ATOM 1532 CD1 PHE A 99 10.011 3.780 -4.708 1.00 0.00 C ATOM 1533 CD2 PHE A 99 10.581 6.024 -5.307 1.00 0.00 C ATOM 1534 CE1 PHE A 99 11.354 3.453 -4.681 1.00 0.00 C ATOM 1535 CE2 PHE A 99 11.921 5.693 -5.277 1.00 0.00 C ATOM 1536 CZ PHE A 99 12.307 4.407 -4.964 1.00 0.00 C ATOM 0 H PHE A 99 5.832 6.268 -4.826 1.00 0.00 H new ATOM 0 HA PHE A 99 7.407 4.797 -3.084 1.00 0.00 H new ATOM 0 HB2 PHE A 99 7.556 4.628 -5.513 1.00 0.00 H new ATOM 0 HB3 PHE A 99 7.978 6.321 -5.670 1.00 0.00 H new ATOM 0 HD1 PHE A 99 9.274 3.024 -4.482 1.00 0.00 H new ATOM 0 HD2 PHE A 99 10.288 7.034 -5.554 1.00 0.00 H new ATOM 0 HE1 PHE A 99 11.657 2.446 -4.437 1.00 0.00 H new ATOM 0 HE2 PHE A 99 12.667 6.442 -5.499 1.00 0.00 H new ATOM 0 HZ PHE A 99 13.355 4.148 -4.941 1.00 0.00 H new ATOM 1546 N GLU A 100 8.307 7.976 -3.266 1.00 0.00 N ATOM 1547 CA GLU A 100 9.069 9.035 -2.619 1.00 0.00 C ATOM 1548 C GLU A 100 8.406 9.521 -1.325 1.00 0.00 C ATOM 1549 O GLU A 100 9.102 9.983 -0.419 1.00 0.00 O ATOM 1550 CB GLU A 100 9.361 10.201 -3.580 1.00 0.00 C ATOM 1551 CG GLU A 100 10.467 9.890 -4.615 1.00 0.00 C ATOM 1552 CD GLU A 100 11.100 11.141 -5.225 1.00 0.00 C ATOM 1553 OE1 GLU A 100 11.475 12.057 -4.450 1.00 0.00 O ATOM 1554 OE2 GLU A 100 11.268 11.205 -6.460 1.00 0.00 O ATOM 0 H GLU A 100 7.758 8.290 -4.066 1.00 0.00 H new ATOM 0 HA GLU A 100 10.028 8.600 -2.338 1.00 0.00 H new ATOM 0 HB2 GLU A 100 8.444 10.463 -4.108 1.00 0.00 H new ATOM 0 HB3 GLU A 100 9.655 11.075 -2.999 1.00 0.00 H new ATOM 0 HG2 GLU A 100 11.245 9.295 -4.136 1.00 0.00 H new ATOM 0 HG3 GLU A 100 10.045 9.280 -5.413 1.00 0.00 H new ATOM 1561 N ASP A 101 7.077 9.419 -1.255 1.00 0.00 N ATOM 1562 CA ASP A 101 6.303 9.772 -0.052 1.00 0.00 C ATOM 1563 C ASP A 101 6.682 8.845 1.124 1.00 0.00 C ATOM 1564 O ASP A 101 6.994 9.312 2.229 1.00 0.00 O ATOM 1565 CB ASP A 101 4.789 9.687 -0.379 1.00 0.00 C ATOM 1566 CG ASP A 101 3.872 9.975 0.817 1.00 0.00 C ATOM 1567 OD1 ASP A 101 3.959 11.087 1.378 1.00 0.00 O ATOM 1568 OD2 ASP A 101 3.059 9.103 1.190 1.00 0.00 O ATOM 0 H ASP A 101 6.502 9.089 -2.030 1.00 0.00 H new ATOM 0 HA ASP A 101 6.537 10.792 0.251 1.00 0.00 H new ATOM 0 HB2 ASP A 101 4.560 10.394 -1.177 1.00 0.00 H new ATOM 0 HB3 ASP A 101 4.566 8.691 -0.762 1.00 0.00 H new ATOM 1573 N ILE A 102 6.653 7.528 0.849 1.00 0.00 N ATOM 1574 CA ILE A 102 7.068 6.479 1.797 1.00 0.00 C ATOM 1575 C ILE A 102 8.556 6.628 2.196 1.00 0.00 C ATOM 1576 O ILE A 102 8.853 6.632 3.376 1.00 0.00 O ATOM 1577 CB ILE A 102 6.781 5.035 1.218 1.00 0.00 C ATOM 1578 CG1 ILE A 102 5.243 4.841 0.997 1.00 0.00 C ATOM 1579 CG2 ILE A 102 7.352 3.907 2.123 1.00 0.00 C ATOM 1580 CD1 ILE A 102 4.826 3.469 0.487 1.00 0.00 C ATOM 0 H ILE A 102 6.337 7.159 -0.048 1.00 0.00 H new ATOM 0 HA ILE A 102 6.470 6.605 2.699 1.00 0.00 H new ATOM 0 HB ILE A 102 7.296 4.960 0.260 1.00 0.00 H new ATOM 0 HG12 ILE A 102 4.731 5.031 1.940 1.00 0.00 H new ATOM 0 HG13 ILE A 102 4.897 5.594 0.289 1.00 0.00 H new ATOM 0 HG21 ILE A 102 7.128 2.937 1.680 1.00 0.00 H new ATOM 0 HG22 ILE A 102 8.432 4.024 2.213 1.00 0.00 H new ATOM 0 HG23 ILE A 102 6.897 3.968 3.112 1.00 0.00 H new ATOM 0 HD11 ILE A 102 3.743 3.439 0.368 1.00 0.00 H new ATOM 0 HD12 ILE A 102 5.302 3.278 -0.475 1.00 0.00 H new ATOM 0 HD13 ILE A 102 5.134 2.706 1.202 1.00 0.00 H new ATOM 1592 N ARG A 103 9.470 6.787 1.208 1.00 0.00 N ATOM 1593 CA ARG A 103 10.934 6.892 1.490 1.00 0.00 C ATOM 1594 C ARG A 103 11.250 8.125 2.360 1.00 0.00 C ATOM 1595 O ARG A 103 12.197 8.113 3.160 1.00 0.00 O ATOM 1596 CB ARG A 103 11.791 6.841 0.182 1.00 0.00 C ATOM 1597 CG ARG A 103 11.776 8.074 -0.747 1.00 0.00 C ATOM 1598 CD ARG A 103 12.790 9.168 -0.384 1.00 0.00 C ATOM 1599 NE ARG A 103 12.774 10.285 -1.353 1.00 0.00 N ATOM 1600 CZ ARG A 103 13.827 11.059 -1.654 1.00 0.00 C ATOM 1601 NH1 ARG A 103 15.010 10.845 -1.089 1.00 0.00 N ATOM 1602 NH2 ARG A 103 13.698 12.038 -2.541 1.00 0.00 N ATOM 0 H ARG A 103 9.230 6.845 0.218 1.00 0.00 H new ATOM 0 HA ARG A 103 11.220 6.014 2.070 1.00 0.00 H new ATOM 0 HB2 ARG A 103 12.826 6.652 0.469 1.00 0.00 H new ATOM 0 HB3 ARG A 103 11.460 5.981 -0.400 1.00 0.00 H new ATOM 0 HG2 ARG A 103 11.969 7.744 -1.768 1.00 0.00 H new ATOM 0 HG3 ARG A 103 10.776 8.507 -0.736 1.00 0.00 H new ATOM 0 HD2 ARG A 103 12.569 9.550 0.613 1.00 0.00 H new ATOM 0 HD3 ARG A 103 13.790 8.736 -0.346 1.00 0.00 H new ATOM 0 HE ARG A 103 11.894 10.482 -1.829 1.00 0.00 H new ATOM 0 HH11 ARG A 103 15.125 10.085 -0.418 1.00 0.00 H new ATOM 0 HH12 ARG A 103 15.804 11.440 -1.326 1.00 0.00 H new ATOM 0 HH21 ARG A 103 12.798 12.201 -2.993 1.00 0.00 H new ATOM 0 HH22 ARG A 103 14.498 12.627 -2.770 1.00 0.00 H new ATOM 1616 N ALA A 104 10.429 9.181 2.198 1.00 0.00 N ATOM 1617 CA ALA A 104 10.564 10.428 2.959 1.00 0.00 C ATOM 1618 C ALA A 104 10.099 10.213 4.410 1.00 0.00 C ATOM 1619 O ALA A 104 10.759 10.661 5.350 1.00 0.00 O ATOM 1620 CB ALA A 104 9.765 11.559 2.289 1.00 0.00 C ATOM 0 H ALA A 104 9.655 9.188 1.534 1.00 0.00 H new ATOM 0 HA ALA A 104 11.614 10.720 2.972 1.00 0.00 H new ATOM 0 HB1 ALA A 104 9.877 12.476 2.868 1.00 0.00 H new ATOM 0 HB2 ALA A 104 10.140 11.720 1.278 1.00 0.00 H new ATOM 0 HB3 ALA A 104 8.711 11.284 2.246 1.00 0.00 H new ATOM 1626 N LYS A 105 8.945 9.528 4.574 1.00 0.00 N ATOM 1627 CA LYS A 105 8.367 9.174 5.888 1.00 0.00 C ATOM 1628 C LYS A 105 9.266 8.176 6.662 1.00 0.00 C ATOM 1629 O LYS A 105 9.347 8.219 7.892 1.00 0.00 O ATOM 1630 CB LYS A 105 6.946 8.568 5.659 1.00 0.00 C ATOM 1631 CG LYS A 105 6.017 8.498 6.911 1.00 0.00 C ATOM 1632 CD LYS A 105 5.038 9.697 7.061 1.00 0.00 C ATOM 1633 CE LYS A 105 5.726 11.054 7.295 1.00 0.00 C ATOM 1634 NZ LYS A 105 4.735 12.157 7.420 1.00 0.00 N ATOM 0 H LYS A 105 8.383 9.202 3.788 1.00 0.00 H new ATOM 0 HA LYS A 105 8.298 10.075 6.498 1.00 0.00 H new ATOM 0 HB2 LYS A 105 6.443 9.156 4.891 1.00 0.00 H new ATOM 0 HB3 LYS A 105 7.063 7.559 5.263 1.00 0.00 H new ATOM 0 HG2 LYS A 105 5.437 7.576 6.865 1.00 0.00 H new ATOM 0 HG3 LYS A 105 6.638 8.440 7.805 1.00 0.00 H new ATOM 0 HD2 LYS A 105 4.425 9.764 6.162 1.00 0.00 H new ATOM 0 HD3 LYS A 105 4.363 9.497 7.893 1.00 0.00 H new ATOM 0 HE2 LYS A 105 6.332 11.004 8.200 1.00 0.00 H new ATOM 0 HE3 LYS A 105 6.404 11.266 6.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 5.234 13.056 7.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 4.174 12.220 6.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 4.103 11.967 8.224 1.00 0.00 H new ATOM 1648 N LEU A 106 9.935 7.287 5.910 1.00 0.00 N ATOM 1649 CA LEU A 106 10.935 6.327 6.435 1.00 0.00 C ATOM 1650 C LEU A 106 12.224 7.044 6.871 1.00 0.00 C ATOM 1651 O LEU A 106 13.003 6.496 7.650 1.00 0.00 O ATOM 1652 CB LEU A 106 11.244 5.226 5.370 1.00 0.00 C ATOM 1653 CG LEU A 106 10.328 3.953 5.390 1.00 0.00 C ATOM 1654 CD1 LEU A 106 8.835 4.320 5.460 1.00 0.00 C ATOM 1655 CD2 LEU A 106 10.616 3.049 4.165 1.00 0.00 C ATOM 0 H LEU A 106 9.798 7.209 4.902 1.00 0.00 H new ATOM 0 HA LEU A 106 10.511 5.847 7.317 1.00 0.00 H new ATOM 0 HB2 LEU A 106 11.175 5.680 4.381 1.00 0.00 H new ATOM 0 HB3 LEU A 106 12.277 4.904 5.502 1.00 0.00 H new ATOM 0 HG LEU A 106 10.567 3.395 6.296 1.00 0.00 H new ATOM 0 HD11 LEU A 106 8.237 3.409 5.472 1.00 0.00 H new ATOM 0 HD12 LEU A 106 8.643 4.892 6.368 1.00 0.00 H new ATOM 0 HD13 LEU A 106 8.566 4.919 4.590 1.00 0.00 H new ATOM 0 HD21 LEU A 106 9.969 2.172 4.200 1.00 0.00 H new ATOM 0 HD22 LEU A 106 10.423 3.606 3.248 1.00 0.00 H new ATOM 0 HD23 LEU A 106 11.659 2.732 4.184 1.00 0.00 H new ATOM 1667 N HIS A 107 12.454 8.248 6.324 1.00 0.00 N ATOM 1668 CA HIS A 107 13.529 9.150 6.781 1.00 0.00 C ATOM 1669 C HIS A 107 13.001 10.067 7.911 1.00 0.00 C ATOM 1670 O HIS A 107 13.792 10.657 8.653 1.00 0.00 O ATOM 1671 CB HIS A 107 14.077 9.980 5.590 1.00 0.00 C ATOM 1672 CG HIS A 107 15.382 10.675 5.885 1.00 0.00 C ATOM 1673 ND1 HIS A 107 16.585 10.009 5.880 1.00 0.00 N ATOM 1674 CD2 HIS A 107 15.670 11.954 6.223 1.00 0.00 C ATOM 1675 CE1 HIS A 107 17.548 10.840 6.203 1.00 0.00 C ATOM 1676 NE2 HIS A 107 17.023 12.028 6.416 1.00 0.00 N ATOM 0 H HIS A 107 11.902 8.625 5.554 1.00 0.00 H new ATOM 0 HA HIS A 107 14.352 8.557 7.180 1.00 0.00 H new ATOM 0 HB2 HIS A 107 14.212 9.322 4.732 1.00 0.00 H new ATOM 0 HB3 HIS A 107 13.334 10.726 5.306 1.00 0.00 H new ATOM 0 HD2 HIS A 107 14.964 12.765 6.322 1.00 0.00 H new ATOM 0 HE1 HIS A 107 18.596 10.591 6.281 1.00 0.00 H new ATOM 0 HE2 HIS A 107 17.540 12.866 6.681 1.00 0.00 H new ATOM 1685 N ALA A 108 11.651 10.175 7.996 1.00 0.00 N ATOM 1686 CA ALA A 108 10.902 10.923 9.029 1.00 0.00 C ATOM 1687 C ALA A 108 11.020 12.444 8.822 1.00 0.00 C ATOM 1688 O ALA A 108 10.050 13.108 8.434 1.00 0.00 O ATOM 1689 CB ALA A 108 11.299 10.500 10.461 1.00 0.00 C ATOM 0 H ALA A 108 11.034 9.725 7.320 1.00 0.00 H new ATOM 0 HA ALA A 108 9.850 10.662 8.911 1.00 0.00 H new ATOM 0 HB1 ALA A 108 10.722 11.077 11.184 1.00 0.00 H new ATOM 0 HB2 ALA A 108 11.093 9.438 10.597 1.00 0.00 H new ATOM 0 HB3 ALA A 108 12.362 10.686 10.614 1.00 0.00 H new ATOM 1695 N HIS A 109 12.225 12.978 9.076 1.00 0.00 N ATOM 1696 CA HIS A 109 12.541 14.401 8.914 1.00 0.00 C ATOM 1697 C HIS A 109 12.610 14.745 7.406 1.00 0.00 C ATOM 1698 O HIS A 109 13.207 13.978 6.642 1.00 0.00 O ATOM 1699 CB HIS A 109 13.895 14.720 9.606 1.00 0.00 C ATOM 1700 CG HIS A 109 13.914 14.497 11.101 1.00 0.00 C ATOM 1701 ND1 HIS A 109 14.320 15.456 12.006 1.00 0.00 N ATOM 1702 CD2 HIS A 109 13.598 13.403 11.846 1.00 0.00 C ATOM 1703 CE1 HIS A 109 14.248 14.964 13.228 1.00 0.00 C ATOM 1704 NE2 HIS A 109 13.820 13.722 13.156 1.00 0.00 N ATOM 0 H HIS A 109 13.016 12.424 9.404 1.00 0.00 H new ATOM 0 HA HIS A 109 11.762 15.005 9.379 1.00 0.00 H new ATOM 0 HB2 HIS A 109 14.672 14.105 9.152 1.00 0.00 H new ATOM 0 HB3 HIS A 109 14.153 15.760 9.405 1.00 0.00 H new ATOM 0 HD2 HIS A 109 13.238 12.456 11.471 1.00 0.00 H new ATOM 0 HE1 HIS A 109 14.499 15.493 14.136 1.00 0.00 H new ATOM 0 HE2 HIS A 109 13.677 13.098 13.950 1.00 0.00 H new ATOM 1713 N PRO A 110 11.964 15.866 6.943 1.00 0.00 N ATOM 1714 CA PRO A 110 12.045 16.319 5.534 1.00 0.00 C ATOM 1715 C PRO A 110 13.439 16.906 5.212 1.00 0.00 C ATOM 1716 O PRO A 110 13.642 18.127 5.243 1.00 0.00 O ATOM 1717 CB PRO A 110 10.899 17.379 5.407 1.00 0.00 C ATOM 1718 CG PRO A 110 10.118 17.278 6.692 1.00 0.00 C ATOM 1719 CD PRO A 110 11.092 16.767 7.729 1.00 0.00 C ATOM 0 HA PRO A 110 11.920 15.506 4.818 1.00 0.00 H new ATOM 0 HB2 PRO A 110 11.304 18.382 5.271 1.00 0.00 H new ATOM 0 HB3 PRO A 110 10.265 17.172 4.545 1.00 0.00 H new ATOM 0 HG2 PRO A 110 9.713 18.248 6.981 1.00 0.00 H new ATOM 0 HG3 PRO A 110 9.272 16.599 6.583 1.00 0.00 H new ATOM 0 HD2 PRO A 110 11.657 17.578 8.188 1.00 0.00 H new ATOM 0 HD3 PRO A 110 10.584 16.237 8.535 1.00 0.00 H new ATOM 1727 N GLY A 111 14.404 15.998 4.977 1.00 0.00 N ATOM 1728 CA GLY A 111 15.788 16.370 4.648 1.00 0.00 C ATOM 1729 C GLY A 111 15.989 16.629 3.162 1.00 0.00 C ATOM 1730 O GLY A 111 16.947 17.304 2.766 1.00 0.00 O ATOM 0 H GLY A 111 14.245 14.991 5.010 1.00 0.00 H new ATOM 0 HA2 GLY A 111 16.063 17.263 5.209 1.00 0.00 H new ATOM 0 HA3 GLY A 111 16.460 15.574 4.968 1.00 0.00 H new ATOM 1734 N GLU A 112 15.074 16.088 2.343 1.00 0.00 N ATOM 1735 CA GLU A 112 15.086 16.229 0.875 1.00 0.00 C ATOM 1736 C GLU A 112 13.710 16.746 0.391 1.00 0.00 C ATOM 1737 O GLU A 112 12.681 16.399 0.993 1.00 0.00 O ATOM 1738 CB GLU A 112 15.417 14.866 0.203 1.00 0.00 C ATOM 1739 CG GLU A 112 16.847 14.347 0.458 1.00 0.00 C ATOM 1740 CD GLU A 112 17.144 13.020 -0.257 1.00 0.00 C ATOM 1741 OE1 GLU A 112 17.069 12.981 -1.508 1.00 0.00 O ATOM 1742 OE2 GLU A 112 17.428 12.003 0.412 1.00 0.00 O ATOM 0 H GLU A 112 14.291 15.531 2.686 1.00 0.00 H new ATOM 0 HA GLU A 112 15.856 16.947 0.593 1.00 0.00 H new ATOM 0 HB2 GLU A 112 14.706 14.120 0.559 1.00 0.00 H new ATOM 0 HB3 GLU A 112 15.267 14.962 -0.872 1.00 0.00 H new ATOM 0 HG2 GLU A 112 17.564 15.099 0.128 1.00 0.00 H new ATOM 0 HG3 GLU A 112 16.993 14.216 1.530 1.00 0.00 H new ATOM 1749 N PRO A 113 13.667 17.598 -0.690 1.00 0.00 N ATOM 1750 CA PRO A 113 12.401 18.004 -1.336 1.00 0.00 C ATOM 1751 C PRO A 113 11.790 16.813 -2.101 1.00 0.00 C ATOM 1752 O PRO A 113 12.318 16.401 -3.146 1.00 0.00 O ATOM 1753 CB PRO A 113 12.809 19.174 -2.290 1.00 0.00 C ATOM 1754 CG PRO A 113 14.218 19.523 -1.887 1.00 0.00 C ATOM 1755 CD PRO A 113 14.822 18.247 -1.350 1.00 0.00 C ATOM 0 HA PRO A 113 11.637 18.321 -0.627 1.00 0.00 H new ATOM 0 HB2 PRO A 113 12.760 18.868 -3.335 1.00 0.00 H new ATOM 0 HB3 PRO A 113 12.142 20.028 -2.177 1.00 0.00 H new ATOM 0 HG2 PRO A 113 14.787 19.896 -2.739 1.00 0.00 H new ATOM 0 HG3 PRO A 113 14.225 20.307 -1.130 1.00 0.00 H new ATOM 0 HD2 PRO A 113 15.235 17.627 -2.146 1.00 0.00 H new ATOM 0 HD3 PRO A 113 15.632 18.446 -0.648 1.00 0.00 H new ATOM 1763 N VAL A 114 10.723 16.227 -1.526 1.00 0.00 N ATOM 1764 CA VAL A 114 10.052 15.048 -2.095 1.00 0.00 C ATOM 1765 C VAL A 114 9.336 15.418 -3.424 1.00 0.00 C ATOM 1766 O VAL A 114 8.504 16.333 -3.475 1.00 0.00 O ATOM 1767 CB VAL A 114 9.064 14.393 -1.053 1.00 0.00 C ATOM 1768 CG1 VAL A 114 7.967 15.375 -0.569 1.00 0.00 C ATOM 1769 CG2 VAL A 114 8.447 13.092 -1.612 1.00 0.00 C ATOM 0 H VAL A 114 10.305 16.558 -0.657 1.00 0.00 H new ATOM 0 HA VAL A 114 10.809 14.298 -2.325 1.00 0.00 H new ATOM 0 HB VAL A 114 9.659 14.138 -0.176 1.00 0.00 H new ATOM 0 HG11 VAL A 114 7.317 14.871 0.146 1.00 0.00 H new ATOM 0 HG12 VAL A 114 8.434 16.235 -0.090 1.00 0.00 H new ATOM 0 HG13 VAL A 114 7.377 15.711 -1.422 1.00 0.00 H new ATOM 0 HG21 VAL A 114 7.771 12.663 -0.873 1.00 0.00 H new ATOM 0 HG22 VAL A 114 7.893 13.315 -2.524 1.00 0.00 H new ATOM 0 HG23 VAL A 114 9.241 12.379 -1.834 1.00 0.00 H new ATOM 1779 N ASP A 115 9.663 14.676 -4.491 1.00 0.00 N ATOM 1780 CA ASP A 115 9.327 15.042 -5.885 1.00 0.00 C ATOM 1781 C ASP A 115 7.858 14.692 -6.255 1.00 0.00 C ATOM 1782 O ASP A 115 7.464 14.856 -7.408 1.00 0.00 O ATOM 1783 CB ASP A 115 10.344 14.337 -6.825 1.00 0.00 C ATOM 1784 CG ASP A 115 10.369 14.862 -8.270 1.00 0.00 C ATOM 1785 OD1 ASP A 115 11.058 15.865 -8.520 1.00 0.00 O ATOM 1786 OD2 ASP A 115 9.727 14.262 -9.162 1.00 0.00 O ATOM 0 H ASP A 115 10.173 13.796 -4.416 1.00 0.00 H new ATOM 0 HA ASP A 115 9.401 16.123 -6.001 1.00 0.00 H new ATOM 0 HB2 ASP A 115 11.342 14.442 -6.399 1.00 0.00 H new ATOM 0 HB3 ASP A 115 10.117 13.271 -6.846 1.00 0.00 H new ATOM 1791 N LEU A 116 7.037 14.269 -5.255 1.00 0.00 N ATOM 1792 CA LEU A 116 5.607 13.909 -5.463 1.00 0.00 C ATOM 1793 C LEU A 116 4.788 15.046 -6.107 1.00 0.00 C ATOM 1794 O LEU A 116 3.794 14.793 -6.800 1.00 0.00 O ATOM 1795 CB LEU A 116 4.947 13.416 -4.128 1.00 0.00 C ATOM 1796 CG LEU A 116 5.100 14.305 -2.831 1.00 0.00 C ATOM 1797 CD1 LEU A 116 4.238 15.589 -2.850 1.00 0.00 C ATOM 1798 CD2 LEU A 116 4.801 13.470 -1.556 1.00 0.00 C ATOM 0 H LEU A 116 7.346 14.169 -4.288 1.00 0.00 H new ATOM 0 HA LEU A 116 5.597 13.083 -6.175 1.00 0.00 H new ATOM 0 HB2 LEU A 116 3.881 13.286 -4.315 1.00 0.00 H new ATOM 0 HB3 LEU A 116 5.354 12.430 -3.903 1.00 0.00 H new ATOM 0 HG LEU A 116 6.138 14.636 -2.816 1.00 0.00 H new ATOM 0 HD11 LEU A 116 4.396 16.147 -1.927 1.00 0.00 H new ATOM 0 HD12 LEU A 116 4.524 16.207 -3.701 1.00 0.00 H new ATOM 0 HD13 LEU A 116 3.185 15.319 -2.935 1.00 0.00 H new ATOM 0 HD21 LEU A 116 4.912 14.101 -0.674 1.00 0.00 H new ATOM 0 HD22 LEU A 116 3.782 13.087 -1.603 1.00 0.00 H new ATOM 0 HD23 LEU A 116 5.500 12.635 -1.496 1.00 0.00 H new ATOM 1810 N GLU A 117 5.241 16.285 -5.881 1.00 0.00 N ATOM 1811 CA GLU A 117 4.582 17.489 -6.389 1.00 0.00 C ATOM 1812 C GLU A 117 4.784 17.645 -7.908 1.00 0.00 C ATOM 1813 O GLU A 117 3.884 18.119 -8.618 1.00 0.00 O ATOM 1814 CB GLU A 117 5.130 18.733 -5.639 1.00 0.00 C ATOM 1815 CG GLU A 117 4.511 20.084 -6.074 1.00 0.00 C ATOM 1816 CD GLU A 117 5.122 21.288 -5.345 1.00 0.00 C ATOM 1817 OE1 GLU A 117 6.296 21.616 -5.610 1.00 0.00 O ATOM 1818 OE2 GLU A 117 4.447 21.891 -4.480 1.00 0.00 O ATOM 0 H GLU A 117 6.081 16.479 -5.336 1.00 0.00 H new ATOM 0 HA GLU A 117 3.511 17.397 -6.210 1.00 0.00 H new ATOM 0 HB2 GLU A 117 4.959 18.599 -4.571 1.00 0.00 H new ATOM 0 HB3 GLU A 117 6.209 18.781 -5.785 1.00 0.00 H new ATOM 0 HG2 GLU A 117 4.647 20.210 -7.148 1.00 0.00 H new ATOM 0 HG3 GLU A 117 3.437 20.061 -5.889 1.00 0.00 H new ATOM 1825 N ARG A 118 5.958 17.199 -8.403 1.00 0.00 N ATOM 1826 CA ARG A 118 6.415 17.508 -9.770 1.00 0.00 C ATOM 1827 C ARG A 118 5.772 16.571 -10.811 1.00 0.00 C ATOM 1828 O ARG A 118 5.908 16.780 -12.018 1.00 0.00 O ATOM 1829 CB ARG A 118 7.970 17.462 -9.850 1.00 0.00 C ATOM 1830 CG ARG A 118 8.577 18.256 -11.042 1.00 0.00 C ATOM 1831 CD ARG A 118 10.110 18.126 -11.148 1.00 0.00 C ATOM 1832 NE ARG A 118 10.783 18.329 -9.846 1.00 0.00 N ATOM 1833 CZ ARG A 118 11.867 19.080 -9.613 1.00 0.00 C ATOM 1834 NH1 ARG A 118 12.395 19.837 -10.563 1.00 0.00 N ATOM 1835 NH2 ARG A 118 12.411 19.067 -8.406 1.00 0.00 N ATOM 0 H ARG A 118 6.608 16.621 -7.871 1.00 0.00 H new ATOM 0 HA ARG A 118 6.091 18.521 -10.010 1.00 0.00 H new ATOM 0 HB2 ARG A 118 8.381 17.856 -8.920 1.00 0.00 H new ATOM 0 HB3 ARG A 118 8.287 16.422 -9.923 1.00 0.00 H new ATOM 0 HG2 ARG A 118 8.125 17.905 -11.970 1.00 0.00 H new ATOM 0 HG3 ARG A 118 8.316 19.309 -10.938 1.00 0.00 H new ATOM 0 HD2 ARG A 118 10.363 17.139 -11.535 1.00 0.00 H new ATOM 0 HD3 ARG A 118 10.485 18.855 -11.866 1.00 0.00 H new ATOM 0 HE ARG A 118 10.379 17.847 -9.043 1.00 0.00 H new ATOM 0 HH11 ARG A 118 11.976 19.855 -11.493 1.00 0.00 H new ATOM 0 HH12 ARG A 118 13.221 20.402 -10.365 1.00 0.00 H new ATOM 0 HH21 ARG A 118 12.004 18.490 -7.669 1.00 0.00 H new ATOM 0 HH22 ARG A 118 13.237 19.634 -8.213 1.00 0.00 H new ATOM 1849 N ILE A 119 5.045 15.550 -10.323 1.00 0.00 N ATOM 1850 CA ILE A 119 4.187 14.680 -11.158 1.00 0.00 C ATOM 1851 C ILE A 119 3.037 15.511 -11.813 1.00 0.00 C ATOM 1852 O ILE A 119 2.504 15.120 -12.862 1.00 0.00 O ATOM 1853 CB ILE A 119 3.621 13.452 -10.298 1.00 0.00 C ATOM 1854 CG1 ILE A 119 4.728 12.369 -10.029 1.00 0.00 C ATOM 1855 CG2 ILE A 119 2.379 12.777 -10.940 1.00 0.00 C ATOM 1856 CD1 ILE A 119 5.853 12.779 -9.104 1.00 0.00 C ATOM 0 H ILE A 119 5.034 15.301 -9.334 1.00 0.00 H new ATOM 0 HA ILE A 119 4.790 14.262 -11.964 1.00 0.00 H new ATOM 0 HB ILE A 119 3.307 13.887 -9.349 1.00 0.00 H new ATOM 0 HG12 ILE A 119 4.247 11.484 -9.612 1.00 0.00 H new ATOM 0 HG13 ILE A 119 5.161 12.076 -10.986 1.00 0.00 H new ATOM 0 HG21 ILE A 119 2.045 11.954 -10.309 1.00 0.00 H new ATOM 0 HG22 ILE A 119 1.577 13.508 -11.037 1.00 0.00 H new ATOM 0 HG23 ILE A 119 2.642 12.394 -11.926 1.00 0.00 H new ATOM 0 HD11 ILE A 119 6.554 11.952 -8.995 1.00 0.00 H new ATOM 0 HD12 ILE A 119 6.372 13.641 -9.522 1.00 0.00 H new ATOM 0 HD13 ILE A 119 5.445 13.040 -8.128 1.00 0.00 H new ATOM 1868 N ILE A 120 2.762 16.697 -11.215 1.00 0.00 N ATOM 1869 CA ILE A 120 1.633 17.600 -11.518 1.00 0.00 C ATOM 1870 C ILE A 120 0.373 17.088 -10.800 1.00 0.00 C ATOM 1871 O ILE A 120 -0.167 16.025 -11.128 1.00 0.00 O ATOM 1872 CB ILE A 120 1.351 17.896 -13.055 1.00 0.00 C ATOM 1873 CG1 ILE A 120 2.575 18.627 -13.706 1.00 0.00 C ATOM 1874 CG2 ILE A 120 0.049 18.731 -13.248 1.00 0.00 C ATOM 1875 CD1 ILE A 120 2.386 19.042 -15.158 1.00 0.00 C ATOM 0 H ILE A 120 3.355 17.065 -10.471 1.00 0.00 H new ATOM 0 HA ILE A 120 1.932 18.577 -11.139 1.00 0.00 H new ATOM 0 HB ILE A 120 1.207 16.939 -13.556 1.00 0.00 H new ATOM 0 HG12 ILE A 120 2.802 19.516 -13.118 1.00 0.00 H new ATOM 0 HG13 ILE A 120 3.444 17.973 -13.642 1.00 0.00 H new ATOM 0 HG21 ILE A 120 -0.112 18.914 -14.310 1.00 0.00 H new ATOM 0 HG22 ILE A 120 -0.800 18.181 -12.842 1.00 0.00 H new ATOM 0 HG23 ILE A 120 0.147 19.683 -12.727 1.00 0.00 H new ATOM 0 HD11 ILE A 120 3.288 19.539 -15.515 1.00 0.00 H new ATOM 0 HD12 ILE A 120 2.193 18.159 -15.767 1.00 0.00 H new ATOM 0 HD13 ILE A 120 1.541 19.726 -15.234 1.00 0.00 H new ATOM 1887 N ARG A 121 -0.066 17.874 -9.816 1.00 0.00 N ATOM 1888 CA ARG A 121 -1.174 17.543 -8.909 1.00 0.00 C ATOM 1889 C ARG A 121 -2.028 18.798 -8.631 1.00 0.00 C ATOM 1890 O ARG A 121 -2.836 18.805 -7.693 1.00 0.00 O ATOM 1891 CB ARG A 121 -0.597 16.956 -7.586 1.00 0.00 C ATOM 1892 CG ARG A 121 0.555 17.786 -6.967 1.00 0.00 C ATOM 1893 CD ARG A 121 0.960 17.295 -5.568 1.00 0.00 C ATOM 1894 NE ARG A 121 1.216 15.838 -5.532 1.00 0.00 N ATOM 1895 CZ ARG A 121 1.054 15.048 -4.458 1.00 0.00 C ATOM 1896 NH1 ARG A 121 0.699 15.555 -3.281 1.00 0.00 N ATOM 1897 NH2 ARG A 121 1.277 13.749 -4.556 1.00 0.00 N ATOM 0 H ARG A 121 0.349 18.785 -9.620 1.00 0.00 H new ATOM 0 HA ARG A 121 -1.818 16.797 -9.374 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -1.403 16.875 -6.857 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -0.238 15.945 -7.778 1.00 0.00 H new ATOM 0 HG2 ARG A 121 1.422 17.744 -7.627 1.00 0.00 H new ATOM 0 HG3 ARG A 121 0.251 18.831 -6.906 1.00 0.00 H new ATOM 0 HD2 ARG A 121 1.855 17.826 -5.245 1.00 0.00 H new ATOM 0 HD3 ARG A 121 0.170 17.540 -4.858 1.00 0.00 H new ATOM 0 HE ARG A 121 1.542 15.398 -6.393 1.00 0.00 H new ATOM 0 HH11 ARG A 121 0.545 16.559 -3.183 1.00 0.00 H new ATOM 0 HH12 ARG A 121 0.580 14.940 -2.476 1.00 0.00 H new ATOM 0 HH21 ARG A 121 1.572 13.348 -5.446 1.00 0.00 H new ATOM 0 HH22 ARG A 121 1.154 13.148 -3.741 1.00 0.00 H new ATOM 1911 N HIS A 122 -1.843 19.854 -9.464 1.00 0.00 N ATOM 1912 CA HIS A 122 -2.588 21.121 -9.335 1.00 0.00 C ATOM 1913 C HIS A 122 -4.066 20.910 -9.687 1.00 0.00 C ATOM 1914 O HIS A 122 -4.387 20.311 -10.715 1.00 0.00 O ATOM 1915 CB HIS A 122 -1.977 22.218 -10.249 1.00 0.00 C ATOM 1916 CG HIS A 122 -2.658 23.574 -10.168 1.00 0.00 C ATOM 1917 ND1 HIS A 122 -2.315 24.540 -9.246 1.00 0.00 N ATOM 1918 CD2 HIS A 122 -3.663 24.120 -10.906 1.00 0.00 C ATOM 1919 CE1 HIS A 122 -3.077 25.601 -9.417 1.00 0.00 C ATOM 1920 NE2 HIS A 122 -3.901 25.370 -10.411 1.00 0.00 N ATOM 0 H HIS A 122 -1.177 19.846 -10.237 1.00 0.00 H new ATOM 0 HA HIS A 122 -2.513 21.453 -8.299 1.00 0.00 H new ATOM 0 HB2 HIS A 122 -0.925 22.340 -9.991 1.00 0.00 H new ATOM 0 HB3 HIS A 122 -2.013 21.871 -11.282 1.00 0.00 H new ATOM 0 HD2 HIS A 122 -4.178 23.651 -11.731 1.00 0.00 H new ATOM 0 HE1 HIS A 122 -3.031 26.510 -8.835 1.00 0.00 H new ATOM 0 HE2 HIS A 122 -4.606 26.020 -10.758 1.00 0.00 H new ATOM 1929 N GLU A 123 -4.949 21.415 -8.823 1.00 0.00 N ATOM 1930 CA GLU A 123 -6.410 21.346 -9.008 1.00 0.00 C ATOM 1931 C GLU A 123 -6.987 22.759 -9.231 1.00 0.00 C ATOM 1932 O GLU A 123 -7.864 22.956 -10.083 1.00 0.00 O ATOM 1933 CB GLU A 123 -7.049 20.646 -7.774 1.00 0.00 C ATOM 1934 CG GLU A 123 -6.759 21.325 -6.412 1.00 0.00 C ATOM 1935 CD GLU A 123 -7.174 20.468 -5.208 1.00 0.00 C ATOM 1936 OE1 GLU A 123 -8.386 20.370 -4.927 1.00 0.00 O ATOM 1937 OE2 GLU A 123 -6.294 19.865 -4.558 1.00 0.00 O ATOM 0 H GLU A 123 -4.672 21.890 -7.964 1.00 0.00 H new ATOM 0 HA GLU A 123 -6.646 20.758 -9.895 1.00 0.00 H new ATOM 0 HB2 GLU A 123 -8.128 20.603 -7.919 1.00 0.00 H new ATOM 0 HB3 GLU A 123 -6.691 19.617 -7.733 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -5.694 21.545 -6.343 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -7.285 22.279 -6.370 1.00 0.00 H new ATOM 1944 N GLY A 124 -6.469 23.743 -8.471 1.00 0.00 N ATOM 1945 CA GLY A 124 -6.936 25.124 -8.558 1.00 0.00 C ATOM 1946 C GLY A 124 -6.527 25.957 -7.357 1.00 0.00 C ATOM 1947 O GLY A 124 -5.651 25.557 -6.586 1.00 0.00 O ATOM 0 H GLY A 124 -5.724 23.597 -7.790 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -6.539 25.581 -9.464 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -8.022 25.131 -8.647 1.00 0.00 H new ATOM 1951 N SER A 125 -7.154 27.137 -7.227 1.00 0.00 N ATOM 1952 CA SER A 125 -6.929 28.070 -6.114 1.00 0.00 C ATOM 1953 C SER A 125 -8.138 28.003 -5.144 1.00 0.00 C ATOM 1954 O SER A 125 -9.195 28.595 -5.449 1.00 0.00 O ATOM 1955 CB SER A 125 -6.715 29.504 -6.671 1.00 0.00 C ATOM 1956 OG SER A 125 -5.649 29.537 -7.611 1.00 0.00 O ATOM 1957 OXT SER A 125 -8.043 27.324 -4.104 1.00 0.00 O ATOM 0 H SER A 125 -7.841 27.473 -7.902 1.00 0.00 H new ATOM 0 HA SER A 125 -6.032 27.793 -5.560 1.00 0.00 H new ATOM 0 HB2 SER A 125 -7.632 29.853 -7.145 1.00 0.00 H new ATOM 0 HB3 SER A 125 -6.500 30.188 -5.850 1.00 0.00 H new ATOM 0 HG SER A 125 -5.537 30.451 -7.947 1.00 0.00 H new TER 1963 SER A 125