USER MOD reduce.3.24.130724 H: found=0, std=0, add=924, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 920 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 1 MET CE :methyl -165:sc= -2.01! (180deg=-2.08!) USER MOD Set 1.2: A 80 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 50 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 54 GLN : amide:sc= -0.222 K(o=-0.67,f=-2.2) USER MOD Set 2.3: A 71 SER OG : rot -155:sc= -0.45 USER MOD Set 3.1: A 39 MET CE :methyl 146:sc= -5.37 (180deg=-2.91!) USER MOD Set 3.2: A 55 GLN : amide:sc= -4.02 K(o=-9.4,f=-11!) USER MOD Set 4.1: A 20 MET CE :methyl -120:sc= -1.77 (180deg=-6.28!) USER MOD Set 4.2: A 60 TYR OH : rot 81:sc= 0.556 USER MOD Single : A 1 MET N :NH3+ 151:sc= 0.0074 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= -0.39 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.0322 K(o=-0.032,f=-1.4) USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 130:sc= -0.0749 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= -0.309 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= -0.124 X(o=-0.12,f=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -0.317 K(o=-0.32,f=-1.1) USER MOD Single : A 69 HIS : no HD1:sc= -0.0313 X(o=-0.031,f=0) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 SER OG : rot -58:sc= 1.15 USER MOD Single : A 82 HIS : no HD1:sc= -1.49! C(o=-1.5!,f=-2.1!) USER MOD Single : A 83 CYS SG : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= 0.00101 K(o=0.001,f=-2.7!) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 ASN : amide:sc= -1.17 K(o=-1.2,f=-3.5) USER MOD Single : A 90 THR OG1 : rot -37:sc= 0.337 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 CYS SG : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= -0.14 K(o=-0.14,f=-0.82) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 CYS SG : rot 180:sc= 0 USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.189 14.346 2.491 1.00 0.00 N ATOM 2 CA MET A 1 -6.212 13.861 1.580 1.00 0.00 C ATOM 3 C MET A 1 -6.760 12.509 2.041 1.00 0.00 C ATOM 4 O MET A 1 -6.004 11.650 2.493 1.00 0.00 O ATOM 5 CB MET A 1 -5.622 13.721 0.176 1.00 0.00 C ATOM 6 CG MET A 1 -6.185 14.789 -0.765 1.00 0.00 C ATOM 7 SD MET A 1 -7.281 14.037 -1.956 1.00 0.00 S ATOM 8 CE MET A 1 -6.185 13.929 -3.361 1.00 0.00 C ATOM 0 H1 MET A 1 -4.514 14.941 1.970 1.00 0.00 H new ATOM 0 H2 MET A 1 -5.634 14.906 3.246 1.00 0.00 H new ATOM 0 H3 MET A 1 -4.686 13.538 2.910 1.00 0.00 H new ATOM 0 HA MET A 1 -7.032 14.580 1.569 1.00 0.00 H new ATOM 0 HB2 MET A 1 -4.537 13.809 0.223 1.00 0.00 H new ATOM 0 HB3 MET A 1 -5.845 12.730 -0.219 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.722 15.545 -0.191 1.00 0.00 H new ATOM 0 HG3 MET A 1 -5.370 15.298 -1.279 1.00 0.00 H new ATOM 0 HE1 MET A 1 -6.767 13.734 -4.262 1.00 0.00 H new ATOM 0 HE2 MET A 1 -5.645 14.869 -3.474 1.00 0.00 H new ATOM 0 HE3 MET A 1 -5.474 13.118 -3.206 1.00 0.00 H new ATOM 18 N ALA A 2 -8.070 12.362 1.911 1.00 0.00 N ATOM 19 CA ALA A 2 -8.728 11.129 2.308 1.00 0.00 C ATOM 20 C ALA A 2 -9.839 10.803 1.308 1.00 0.00 C ATOM 21 O ALA A 2 -10.975 10.541 1.700 1.00 0.00 O ATOM 22 CB ALA A 2 -9.254 11.268 3.738 1.00 0.00 C ATOM 0 H ALA A 2 -8.694 13.077 1.536 1.00 0.00 H new ATOM 0 HA ALA A 2 -8.022 10.298 2.299 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -9.748 10.343 4.036 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -8.423 11.469 4.414 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -9.967 12.091 3.785 1.00 0.00 H new ATOM 28 N LYS A 3 -9.473 10.832 0.035 1.00 0.00 N ATOM 29 CA LYS A 3 -10.424 10.543 -1.025 1.00 0.00 C ATOM 30 C LYS A 3 -10.664 9.034 -1.091 1.00 0.00 C ATOM 31 O LYS A 3 -11.056 8.419 -0.100 1.00 0.00 O ATOM 32 CB LYS A 3 -9.954 11.150 -2.348 1.00 0.00 C ATOM 33 CG LYS A 3 -11.053 11.072 -3.409 1.00 0.00 C ATOM 34 CD LYS A 3 -11.726 12.432 -3.602 1.00 0.00 C ATOM 35 CE LYS A 3 -11.951 12.727 -5.086 1.00 0.00 C ATOM 36 NZ LYS A 3 -13.237 12.152 -5.540 1.00 0.00 N ATOM 0 H LYS A 3 -8.530 11.051 -0.286 1.00 0.00 H new ATOM 0 HA LYS A 3 -11.385 11.010 -0.812 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -9.667 12.190 -2.193 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -9.067 10.623 -2.699 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -10.628 10.735 -4.354 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -11.797 10.333 -3.113 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -12.680 12.447 -3.076 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -11.107 13.214 -3.162 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -11.948 13.804 -5.253 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -11.132 12.311 -5.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -13.374 12.362 -6.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -13.226 11.122 -5.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -14.016 12.568 -4.991 1.00 0.00 H new ATOM 50 N GLU A 4 -10.420 8.479 -2.270 1.00 0.00 N ATOM 51 CA GLU A 4 -10.605 7.053 -2.479 1.00 0.00 C ATOM 52 C GLU A 4 -10.595 6.730 -3.974 1.00 0.00 C ATOM 53 O GLU A 4 -10.895 7.590 -4.801 1.00 0.00 O ATOM 54 CB GLU A 4 -11.897 6.566 -1.821 1.00 0.00 C ATOM 55 CG GLU A 4 -11.597 5.609 -0.665 1.00 0.00 C ATOM 56 CD GLU A 4 -12.636 5.753 0.449 1.00 0.00 C ATOM 57 OE1 GLU A 4 -13.649 5.025 0.378 1.00 0.00 O ATOM 58 OE2 GLU A 4 -12.393 6.588 1.347 1.00 0.00 O ATOM 0 H GLU A 4 -10.096 8.992 -3.090 1.00 0.00 H new ATOM 0 HA GLU A 4 -9.775 6.526 -2.008 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -12.466 7.420 -1.453 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -12.519 6.064 -2.561 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -11.590 4.582 -1.031 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -10.602 5.813 -0.268 1.00 0.00 H new ATOM 65 N ARG A 5 -10.247 5.488 -4.277 1.00 0.00 N ATOM 66 CA ARG A 5 -10.194 5.041 -5.658 1.00 0.00 C ATOM 67 C ARG A 5 -10.981 3.739 -5.825 1.00 0.00 C ATOM 68 O ARG A 5 -11.617 3.269 -4.883 1.00 0.00 O ATOM 69 CB ARG A 5 -8.750 4.818 -6.110 1.00 0.00 C ATOM 70 CG ARG A 5 -8.168 6.088 -6.734 1.00 0.00 C ATOM 71 CD ARG A 5 -7.955 5.912 -8.238 1.00 0.00 C ATOM 72 NE ARG A 5 -6.531 5.619 -8.517 1.00 0.00 N ATOM 73 CZ ARG A 5 -6.005 5.548 -9.747 1.00 0.00 C ATOM 74 NH1 ARG A 5 -6.782 5.748 -10.820 1.00 0.00 N ATOM 75 NH2 ARG A 5 -4.702 5.277 -9.905 1.00 0.00 N ATOM 0 H ARG A 5 -9.999 4.777 -3.589 1.00 0.00 H new ATOM 0 HA ARG A 5 -10.639 5.821 -6.276 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -8.141 4.515 -5.258 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -8.713 4.003 -6.833 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -8.840 6.927 -6.554 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -7.220 6.331 -6.255 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -8.581 5.101 -8.610 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -8.259 6.817 -8.765 1.00 0.00 H new ATOM 0 HE ARG A 5 -5.911 5.461 -7.722 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -7.774 5.954 -10.700 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -6.382 5.694 -11.757 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -4.110 5.125 -9.088 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -4.302 5.223 -10.842 1.00 0.00 H new ATOM 89 N GLY A 6 -10.911 3.193 -7.030 1.00 0.00 N ATOM 90 CA GLY A 6 -11.609 1.955 -7.332 1.00 0.00 C ATOM 91 C GLY A 6 -11.615 1.020 -6.122 1.00 0.00 C ATOM 92 O GLY A 6 -10.685 0.237 -5.933 1.00 0.00 O ATOM 0 H GLY A 6 -10.382 3.585 -7.809 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -12.634 2.175 -7.631 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -11.130 1.460 -8.176 1.00 0.00 H new ATOM 96 N LEU A 7 -12.673 1.131 -5.333 1.00 0.00 N ATOM 97 CA LEU A 7 -12.813 0.305 -4.146 1.00 0.00 C ATOM 98 C LEU A 7 -12.360 -1.121 -4.466 1.00 0.00 C ATOM 99 O LEU A 7 -13.022 -1.831 -5.221 1.00 0.00 O ATOM 100 CB LEU A 7 -14.239 0.389 -3.599 1.00 0.00 C ATOM 101 CG LEU A 7 -14.677 1.759 -3.075 1.00 0.00 C ATOM 102 CD1 LEU A 7 -15.604 2.456 -4.071 1.00 0.00 C ATOM 103 CD2 LEU A 7 -15.312 1.637 -1.688 1.00 0.00 C ATOM 0 H LEU A 7 -13.442 1.781 -5.493 1.00 0.00 H new ATOM 0 HA LEU A 7 -12.169 0.673 -3.348 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -14.928 0.087 -4.388 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -14.341 -0.336 -2.792 1.00 0.00 H new ATOM 0 HG LEU A 7 -13.791 2.384 -2.970 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -15.900 3.427 -3.674 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -15.082 2.595 -5.018 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -16.491 1.844 -4.232 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -15.614 2.624 -1.338 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -16.186 0.988 -1.744 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -14.588 1.212 -0.993 1.00 0.00 H new ATOM 115 N ILE A 8 -11.235 -1.497 -3.876 1.00 0.00 N ATOM 116 CA ILE A 8 -10.686 -2.825 -4.088 1.00 0.00 C ATOM 117 C ILE A 8 -11.734 -3.873 -3.706 1.00 0.00 C ATOM 118 O ILE A 8 -11.980 -4.107 -2.524 1.00 0.00 O ATOM 119 CB ILE A 8 -9.359 -2.983 -3.343 1.00 0.00 C ATOM 120 CG1 ILE A 8 -8.550 -4.153 -3.906 1.00 0.00 C ATOM 121 CG2 ILE A 8 -9.589 -3.116 -1.836 1.00 0.00 C ATOM 122 CD1 ILE A 8 -7.082 -4.056 -3.487 1.00 0.00 C ATOM 0 H ILE A 8 -10.689 -0.905 -3.251 1.00 0.00 H new ATOM 0 HA ILE A 8 -10.453 -2.976 -5.142 1.00 0.00 H new ATOM 0 HB ILE A 8 -8.769 -2.080 -3.500 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -8.971 -5.094 -3.553 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -8.622 -4.160 -4.994 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -8.630 -3.227 -1.330 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -10.094 -2.224 -1.465 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -10.207 -3.992 -1.638 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -6.529 -4.900 -3.900 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -6.657 -3.125 -3.862 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -7.012 -4.074 -2.399 1.00 0.00 H new ATOM 134 N SER A 9 -12.323 -4.475 -4.729 1.00 0.00 N ATOM 135 CA SER A 9 -13.338 -5.492 -4.514 1.00 0.00 C ATOM 136 C SER A 9 -12.831 -6.536 -3.518 1.00 0.00 C ATOM 137 O SER A 9 -11.684 -6.474 -3.078 1.00 0.00 O ATOM 138 CB SER A 9 -13.732 -6.163 -5.832 1.00 0.00 C ATOM 139 OG SER A 9 -15.112 -5.973 -6.136 1.00 0.00 O ATOM 0 H SER A 9 -12.117 -4.278 -5.708 1.00 0.00 H new ATOM 0 HA SER A 9 -14.225 -5.009 -4.103 1.00 0.00 H new ATOM 0 HB2 SER A 9 -13.123 -5.759 -6.641 1.00 0.00 H new ATOM 0 HB3 SER A 9 -13.517 -7.230 -5.774 1.00 0.00 H new ATOM 0 HG SER A 9 -15.324 -6.414 -6.985 1.00 0.00 H new ATOM 145 N PRO A 10 -13.734 -7.496 -3.182 1.00 0.00 N ATOM 146 CA PRO A 10 -13.390 -8.553 -2.246 1.00 0.00 C ATOM 147 C PRO A 10 -12.478 -9.591 -2.901 1.00 0.00 C ATOM 148 O PRO A 10 -12.082 -10.566 -2.264 1.00 0.00 O ATOM 149 CB PRO A 10 -14.722 -9.131 -1.798 1.00 0.00 C ATOM 150 CG PRO A 10 -15.738 -8.696 -2.842 1.00 0.00 C ATOM 151 CD PRO A 10 -15.101 -7.601 -3.683 1.00 0.00 C ATOM 0 HA PRO A 10 -12.821 -8.188 -1.391 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -14.673 -10.218 -1.730 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -14.995 -8.762 -0.810 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -16.027 -9.540 -3.469 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -16.646 -8.330 -2.362 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -15.116 -7.856 -4.743 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -15.636 -6.657 -3.575 1.00 0.00 H new ATOM 159 N SER A 11 -12.171 -9.347 -4.167 1.00 0.00 N ATOM 160 CA SER A 11 -11.313 -10.249 -4.916 1.00 0.00 C ATOM 161 C SER A 11 -9.853 -10.042 -4.508 1.00 0.00 C ATOM 162 O SER A 11 -9.152 -11.001 -4.189 1.00 0.00 O ATOM 163 CB SER A 11 -11.477 -10.041 -6.423 1.00 0.00 C ATOM 164 OG SER A 11 -11.693 -11.270 -7.111 1.00 0.00 O ATOM 0 H SER A 11 -12.501 -8.538 -4.693 1.00 0.00 H new ATOM 0 HA SER A 11 -11.607 -11.272 -4.683 1.00 0.00 H new ATOM 0 HB2 SER A 11 -12.316 -9.370 -6.607 1.00 0.00 H new ATOM 0 HB3 SER A 11 -10.586 -9.554 -6.821 1.00 0.00 H new ATOM 0 HG SER A 11 -11.795 -11.095 -8.070 1.00 0.00 H new ATOM 170 N ASP A 12 -9.438 -8.784 -4.531 1.00 0.00 N ATOM 171 CA ASP A 12 -8.074 -8.439 -4.168 1.00 0.00 C ATOM 172 C ASP A 12 -7.916 -8.534 -2.649 1.00 0.00 C ATOM 173 O ASP A 12 -6.880 -8.977 -2.155 1.00 0.00 O ATOM 174 CB ASP A 12 -7.736 -7.008 -4.590 1.00 0.00 C ATOM 175 CG ASP A 12 -6.584 -6.883 -5.589 1.00 0.00 C ATOM 176 OD1 ASP A 12 -6.727 -7.450 -6.693 1.00 0.00 O ATOM 177 OD2 ASP A 12 -5.587 -6.223 -5.225 1.00 0.00 O ATOM 0 H ASP A 12 -10.022 -7.991 -4.795 1.00 0.00 H new ATOM 0 HA ASP A 12 -7.404 -9.132 -4.677 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -8.626 -6.554 -5.026 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -7.488 -6.431 -3.699 1.00 0.00 H new ATOM 182 N PHE A 13 -8.959 -8.110 -1.950 1.00 0.00 N ATOM 183 CA PHE A 13 -8.950 -8.141 -0.497 1.00 0.00 C ATOM 184 C PHE A 13 -8.686 -9.557 0.019 1.00 0.00 C ATOM 185 O PHE A 13 -8.019 -9.737 1.036 1.00 0.00 O ATOM 186 CB PHE A 13 -10.335 -7.691 -0.031 1.00 0.00 C ATOM 187 CG PHE A 13 -10.320 -6.862 1.255 1.00 0.00 C ATOM 188 CD1 PHE A 13 -9.828 -7.398 2.404 1.00 0.00 C ATOM 189 CD2 PHE A 13 -10.798 -5.588 1.249 1.00 0.00 C ATOM 190 CE1 PHE A 13 -9.814 -6.629 3.597 1.00 0.00 C ATOM 191 CE2 PHE A 13 -10.784 -4.819 2.442 1.00 0.00 C ATOM 192 CZ PHE A 13 -10.292 -5.355 3.591 1.00 0.00 C ATOM 0 H PHE A 13 -9.816 -7.743 -2.363 1.00 0.00 H new ATOM 0 HA PHE A 13 -8.162 -7.491 -0.116 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -10.801 -7.105 -0.823 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -10.959 -8.571 0.124 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -9.448 -8.409 2.409 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -11.188 -5.162 0.336 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -9.424 -7.055 4.510 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -11.164 -3.808 2.437 1.00 0.00 H new ATOM 0 HZ PHE A 13 -10.281 -4.770 4.499 1.00 0.00 H new ATOM 202 N ALA A 14 -9.225 -10.527 -0.707 1.00 0.00 N ATOM 203 CA ALA A 14 -9.057 -11.921 -0.335 1.00 0.00 C ATOM 204 C ALA A 14 -7.577 -12.298 -0.440 1.00 0.00 C ATOM 205 O ALA A 14 -6.993 -12.806 0.515 1.00 0.00 O ATOM 206 CB ALA A 14 -9.946 -12.797 -1.220 1.00 0.00 C ATOM 0 H ALA A 14 -9.778 -10.374 -1.550 1.00 0.00 H new ATOM 0 HA ALA A 14 -9.366 -12.082 0.698 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -9.820 -13.843 -0.941 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -10.989 -12.509 -1.086 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -9.664 -12.664 -2.264 1.00 0.00 H new ATOM 212 N GLN A 15 -7.015 -12.034 -1.610 1.00 0.00 N ATOM 213 CA GLN A 15 -5.615 -12.339 -1.853 1.00 0.00 C ATOM 214 C GLN A 15 -4.742 -11.747 -0.745 1.00 0.00 C ATOM 215 O GLN A 15 -3.982 -12.465 -0.097 1.00 0.00 O ATOM 216 CB GLN A 15 -5.174 -11.832 -3.228 1.00 0.00 C ATOM 217 CG GLN A 15 -4.453 -12.930 -4.012 1.00 0.00 C ATOM 218 CD GLN A 15 -5.446 -13.964 -4.546 1.00 0.00 C ATOM 219 OE1 GLN A 15 -6.652 -13.819 -4.436 1.00 0.00 O ATOM 220 NE2 GLN A 15 -4.873 -15.013 -5.130 1.00 0.00 N ATOM 0 H GLN A 15 -7.503 -11.612 -2.400 1.00 0.00 H new ATOM 0 HA GLN A 15 -5.493 -13.422 -1.845 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -6.044 -11.490 -3.790 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -4.514 -10.973 -3.108 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -3.902 -12.487 -4.842 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -3.722 -13.421 -3.369 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -3.856 -15.072 -5.188 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -5.450 -15.758 -5.519 1.00 0.00 H new ATOM 229 N LEU A 16 -4.881 -10.442 -0.560 1.00 0.00 N ATOM 230 CA LEU A 16 -4.115 -9.745 0.460 1.00 0.00 C ATOM 231 C LEU A 16 -4.375 -10.395 1.820 1.00 0.00 C ATOM 232 O LEU A 16 -3.451 -10.577 2.612 1.00 0.00 O ATOM 233 CB LEU A 16 -4.418 -8.246 0.426 1.00 0.00 C ATOM 234 CG LEU A 16 -3.238 -7.317 0.720 1.00 0.00 C ATOM 235 CD1 LEU A 16 -2.081 -7.578 -0.247 1.00 0.00 C ATOM 236 CD2 LEU A 16 -3.678 -5.851 0.705 1.00 0.00 C ATOM 0 H LEU A 16 -5.512 -9.849 -1.099 1.00 0.00 H new ATOM 0 HA LEU A 16 -3.047 -9.835 0.263 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -4.814 -7.998 -0.559 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -5.207 -8.038 1.149 1.00 0.00 H new ATOM 0 HG LEU A 16 -2.874 -7.534 1.724 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.255 -6.905 -0.017 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.747 -8.610 -0.144 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.416 -7.405 -1.270 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.821 -5.212 0.917 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -4.082 -5.603 -0.276 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -4.444 -5.693 1.464 1.00 0.00 H new ATOM 248 N GLN A 17 -5.637 -10.727 2.050 1.00 0.00 N ATOM 249 CA GLN A 17 -6.030 -11.353 3.301 1.00 0.00 C ATOM 250 C GLN A 17 -5.214 -12.625 3.538 1.00 0.00 C ATOM 251 O GLN A 17 -4.547 -12.757 4.563 1.00 0.00 O ATOM 252 CB GLN A 17 -7.530 -11.653 3.316 1.00 0.00 C ATOM 253 CG GLN A 17 -8.265 -10.730 4.291 1.00 0.00 C ATOM 254 CD GLN A 17 -9.352 -11.490 5.053 1.00 0.00 C ATOM 255 OE1 GLN A 17 -9.227 -11.791 6.228 1.00 0.00 O ATOM 256 NE2 GLN A 17 -10.422 -11.782 4.319 1.00 0.00 N ATOM 0 H GLN A 17 -6.401 -10.574 1.391 1.00 0.00 H new ATOM 0 HA GLN A 17 -5.824 -10.656 4.114 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -7.939 -11.529 2.313 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -7.694 -12.692 3.600 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -7.554 -10.301 4.997 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -8.712 -9.900 3.744 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -10.461 -11.500 3.340 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -11.203 -12.288 4.735 1.00 0.00 H new ATOM 265 N LYS A 18 -5.294 -13.529 2.573 1.00 0.00 N ATOM 266 CA LYS A 18 -4.571 -14.786 2.664 1.00 0.00 C ATOM 267 C LYS A 18 -3.080 -14.500 2.849 1.00 0.00 C ATOM 268 O LYS A 18 -2.481 -14.922 3.837 1.00 0.00 O ATOM 269 CB LYS A 18 -4.882 -15.672 1.455 1.00 0.00 C ATOM 270 CG LYS A 18 -4.626 -17.146 1.775 1.00 0.00 C ATOM 271 CD LYS A 18 -5.283 -18.055 0.734 1.00 0.00 C ATOM 272 CE LYS A 18 -6.781 -18.208 1.008 1.00 0.00 C ATOM 273 NZ LYS A 18 -7.015 -19.234 2.048 1.00 0.00 N ATOM 0 H LYS A 18 -5.848 -13.416 1.724 1.00 0.00 H new ATOM 0 HA LYS A 18 -4.898 -15.351 3.537 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -5.922 -15.536 1.158 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -4.266 -15.368 0.609 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -3.553 -17.335 1.802 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -5.016 -17.380 2.765 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -5.132 -17.641 -0.263 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -4.805 -19.035 0.748 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -7.197 -17.253 1.330 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -7.298 -18.488 0.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -8.036 -19.325 2.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -6.635 -20.147 1.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -6.538 -18.952 2.928 1.00 0.00 H new ATOM 287 N TYR A 19 -2.523 -13.784 1.884 1.00 0.00 N ATOM 288 CA TYR A 19 -1.113 -13.436 1.928 1.00 0.00 C ATOM 289 C TYR A 19 -0.749 -12.791 3.267 1.00 0.00 C ATOM 290 O TYR A 19 0.276 -13.122 3.862 1.00 0.00 O ATOM 291 CB TYR A 19 -0.895 -12.416 0.808 1.00 0.00 C ATOM 292 CG TYR A 19 -0.841 -13.031 -0.591 1.00 0.00 C ATOM 293 CD1 TYR A 19 -0.151 -14.208 -0.802 1.00 0.00 C ATOM 294 CD2 TYR A 19 -1.482 -12.409 -1.644 1.00 0.00 C ATOM 295 CE1 TYR A 19 -0.100 -14.787 -2.120 1.00 0.00 C ATOM 296 CE2 TYR A 19 -1.431 -12.988 -2.961 1.00 0.00 C ATOM 297 CZ TYR A 19 -0.743 -14.148 -3.134 1.00 0.00 C ATOM 298 OH TYR A 19 -0.695 -14.695 -4.379 1.00 0.00 O ATOM 0 H TYR A 19 -3.023 -13.435 1.066 1.00 0.00 H new ATOM 0 HA TYR A 19 -0.494 -14.326 1.810 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -1.698 -11.680 0.839 1.00 0.00 H new ATOM 0 HB3 TYR A 19 0.036 -11.880 0.994 1.00 0.00 H new ATOM 0 HD1 TYR A 19 0.351 -14.695 0.021 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -2.022 -11.488 -1.480 1.00 0.00 H new ATOM 0 HE1 TYR A 19 0.436 -15.707 -2.299 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -1.928 -12.512 -3.793 1.00 0.00 H new ATOM 0 HH TYR A 19 -1.601 -14.750 -4.747 1.00 0.00 H new ATOM 308 N MET A 20 -1.609 -11.881 3.702 1.00 0.00 N ATOM 309 CA MET A 20 -1.391 -11.187 4.960 1.00 0.00 C ATOM 310 C MET A 20 -1.391 -12.167 6.135 1.00 0.00 C ATOM 311 O MET A 20 -0.428 -12.228 6.897 1.00 0.00 O ATOM 312 CB MET A 20 -2.492 -10.144 5.165 1.00 0.00 C ATOM 313 CG MET A 20 -2.176 -8.856 4.402 1.00 0.00 C ATOM 314 SD MET A 20 -3.527 -7.702 4.566 1.00 0.00 S ATOM 315 CE MET A 20 -3.348 -7.258 6.286 1.00 0.00 C ATOM 0 H MET A 20 -2.458 -11.609 3.206 1.00 0.00 H new ATOM 0 HA MET A 20 -0.418 -10.698 4.919 1.00 0.00 H new ATOM 0 HB2 MET A 20 -3.447 -10.546 4.827 1.00 0.00 H new ATOM 0 HB3 MET A 20 -2.597 -9.925 6.228 1.00 0.00 H new ATOM 0 HG2 MET A 20 -1.258 -8.411 4.787 1.00 0.00 H new ATOM 0 HG3 MET A 20 -2.004 -9.080 3.349 1.00 0.00 H new ATOM 0 HE1 MET A 20 -4.258 -7.520 6.826 1.00 0.00 H new ATOM 0 HE2 MET A 20 -2.503 -7.797 6.715 1.00 0.00 H new ATOM 0 HE3 MET A 20 -3.173 -6.185 6.369 1.00 0.00 H new ATOM 325 N GLU A 21 -2.483 -12.911 6.244 1.00 0.00 N ATOM 326 CA GLU A 21 -2.621 -13.885 7.313 1.00 0.00 C ATOM 327 C GLU A 21 -1.393 -14.797 7.361 1.00 0.00 C ATOM 328 O GLU A 21 -0.768 -14.947 8.410 1.00 0.00 O ATOM 329 CB GLU A 21 -3.904 -14.701 7.148 1.00 0.00 C ATOM 330 CG GLU A 21 -5.009 -14.178 8.068 1.00 0.00 C ATOM 331 CD GLU A 21 -5.830 -15.330 8.650 1.00 0.00 C ATOM 332 OE1 GLU A 21 -6.153 -16.249 7.867 1.00 0.00 O ATOM 333 OE2 GLU A 21 -6.116 -15.266 9.865 1.00 0.00 O ATOM 0 H GLU A 21 -3.280 -12.858 5.609 1.00 0.00 H new ATOM 0 HA GLU A 21 -2.689 -13.350 8.260 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -4.237 -14.655 6.111 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -3.704 -15.749 7.373 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -4.568 -13.596 8.877 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -5.662 -13.506 7.512 1.00 0.00 H new ATOM 340 N TYR A 22 -1.085 -15.383 6.213 1.00 0.00 N ATOM 341 CA TYR A 22 0.056 -16.276 6.112 1.00 0.00 C ATOM 342 C TYR A 22 1.267 -15.705 6.852 1.00 0.00 C ATOM 343 O TYR A 22 2.007 -16.443 7.501 1.00 0.00 O ATOM 344 CB TYR A 22 0.385 -16.373 4.620 1.00 0.00 C ATOM 345 CG TYR A 22 0.780 -17.778 4.160 1.00 0.00 C ATOM 346 CD1 TYR A 22 1.723 -18.496 4.868 1.00 0.00 C ATOM 347 CD2 TYR A 22 0.194 -18.326 3.038 1.00 0.00 C ATOM 348 CE1 TYR A 22 2.095 -19.818 4.435 1.00 0.00 C ATOM 349 CE2 TYR A 22 0.566 -19.648 2.605 1.00 0.00 C ATOM 350 CZ TYR A 22 1.498 -20.329 3.325 1.00 0.00 C ATOM 351 OH TYR A 22 1.850 -21.577 2.916 1.00 0.00 O ATOM 0 H TYR A 22 -1.606 -15.257 5.345 1.00 0.00 H new ATOM 0 HA TYR A 22 -0.176 -17.245 6.554 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -0.481 -16.044 4.045 1.00 0.00 H new ATOM 0 HB3 TYR A 22 1.199 -15.685 4.392 1.00 0.00 H new ATOM 0 HD1 TYR A 22 2.182 -18.066 5.746 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -0.544 -17.764 2.484 1.00 0.00 H new ATOM 0 HE1 TYR A 22 2.831 -20.391 4.979 1.00 0.00 H new ATOM 0 HE2 TYR A 22 0.115 -20.089 1.728 1.00 0.00 H new ATOM 0 HH TYR A 22 1.343 -21.813 2.111 1.00 0.00 H new ATOM 361 N SER A 23 1.432 -14.396 6.730 1.00 0.00 N ATOM 362 CA SER A 23 2.540 -13.718 7.380 1.00 0.00 C ATOM 363 C SER A 23 2.090 -13.154 8.729 1.00 0.00 C ATOM 364 O SER A 23 0.894 -13.073 9.004 1.00 0.00 O ATOM 365 CB SER A 23 3.096 -12.599 6.496 1.00 0.00 C ATOM 366 OG SER A 23 3.555 -11.490 7.264 1.00 0.00 O ATOM 0 H SER A 23 0.817 -13.787 6.191 1.00 0.00 H new ATOM 0 HA SER A 23 3.336 -14.444 7.544 1.00 0.00 H new ATOM 0 HB2 SER A 23 3.917 -12.987 5.893 1.00 0.00 H new ATOM 0 HB3 SER A 23 2.323 -12.266 5.804 1.00 0.00 H new ATOM 0 HG SER A 23 3.904 -10.798 6.664 1.00 0.00 H new ATOM 372 N THR A 24 3.073 -12.778 9.535 1.00 0.00 N ATOM 373 CA THR A 24 2.793 -12.224 10.849 1.00 0.00 C ATOM 374 C THR A 24 3.782 -11.104 11.177 1.00 0.00 C ATOM 375 O THR A 24 4.566 -11.220 12.118 1.00 0.00 O ATOM 376 CB THR A 24 2.816 -13.372 11.860 1.00 0.00 C ATOM 377 OG1 THR A 24 3.820 -14.253 11.363 1.00 0.00 O ATOM 378 CG2 THR A 24 1.536 -14.209 11.826 1.00 0.00 C ATOM 0 H THR A 24 4.064 -12.846 9.303 1.00 0.00 H new ATOM 0 HA THR A 24 1.806 -11.763 10.882 1.00 0.00 H new ATOM 0 HB THR A 24 2.959 -12.969 12.863 1.00 0.00 H new ATOM 0 HG1 THR A 24 3.902 -15.025 11.960 1.00 0.00 H new ATOM 0 HG21 THR A 24 1.605 -15.010 12.563 1.00 0.00 H new ATOM 0 HG22 THR A 24 0.680 -13.575 12.058 1.00 0.00 H new ATOM 0 HG23 THR A 24 1.409 -14.640 10.833 1.00 0.00 H new ATOM 386 N LYS A 25 3.714 -10.046 10.383 1.00 0.00 N ATOM 387 CA LYS A 25 4.593 -8.906 10.578 1.00 0.00 C ATOM 388 C LYS A 25 3.760 -7.623 10.606 1.00 0.00 C ATOM 389 O LYS A 25 2.573 -7.643 10.287 1.00 0.00 O ATOM 390 CB LYS A 25 5.700 -8.897 9.522 1.00 0.00 C ATOM 391 CG LYS A 25 7.010 -9.443 10.095 1.00 0.00 C ATOM 392 CD LYS A 25 7.855 -8.318 10.697 1.00 0.00 C ATOM 393 CE LYS A 25 9.276 -8.337 10.129 1.00 0.00 C ATOM 394 NZ LYS A 25 10.194 -9.042 11.052 1.00 0.00 N ATOM 0 H LYS A 25 3.063 -9.954 9.603 1.00 0.00 H new ATOM 0 HA LYS A 25 5.101 -8.977 11.540 1.00 0.00 H new ATOM 0 HB2 LYS A 25 5.395 -9.498 8.665 1.00 0.00 H new ATOM 0 HB3 LYS A 25 5.853 -7.881 9.160 1.00 0.00 H new ATOM 0 HG2 LYS A 25 6.794 -10.189 10.859 1.00 0.00 H new ATOM 0 HG3 LYS A 25 7.574 -9.946 9.309 1.00 0.00 H new ATOM 0 HD2 LYS A 25 7.388 -7.355 10.487 1.00 0.00 H new ATOM 0 HD3 LYS A 25 7.891 -8.425 11.781 1.00 0.00 H new ATOM 0 HE2 LYS A 25 9.279 -8.830 9.157 1.00 0.00 H new ATOM 0 HE3 LYS A 25 9.624 -7.316 9.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 11.154 -9.046 10.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 10.204 -8.555 11.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 9.870 -10.021 11.183 1.00 0.00 H new ATOM 408 N LYS A 26 4.416 -6.538 10.991 1.00 0.00 N ATOM 409 CA LYS A 26 3.751 -5.249 11.065 1.00 0.00 C ATOM 410 C LYS A 26 4.192 -4.383 9.883 1.00 0.00 C ATOM 411 O LYS A 26 5.333 -4.476 9.433 1.00 0.00 O ATOM 412 CB LYS A 26 3.994 -4.598 12.428 1.00 0.00 C ATOM 413 CG LYS A 26 3.465 -5.482 13.560 1.00 0.00 C ATOM 414 CD LYS A 26 2.076 -5.025 14.010 1.00 0.00 C ATOM 415 CE LYS A 26 1.566 -5.882 15.170 1.00 0.00 C ATOM 416 NZ LYS A 26 1.323 -5.045 16.365 1.00 0.00 N ATOM 0 H LYS A 26 5.401 -6.526 11.255 1.00 0.00 H new ATOM 0 HA LYS A 26 2.671 -5.373 10.984 1.00 0.00 H new ATOM 0 HB2 LYS A 26 5.061 -4.423 12.567 1.00 0.00 H new ATOM 0 HB3 LYS A 26 3.504 -3.625 12.463 1.00 0.00 H new ATOM 0 HG2 LYS A 26 3.420 -6.519 13.226 1.00 0.00 H new ATOM 0 HG3 LYS A 26 4.154 -5.449 14.404 1.00 0.00 H new ATOM 0 HD2 LYS A 26 2.114 -3.979 14.315 1.00 0.00 H new ATOM 0 HD3 LYS A 26 1.380 -5.088 13.174 1.00 0.00 H new ATOM 0 HE2 LYS A 26 0.645 -6.387 14.879 1.00 0.00 H new ATOM 0 HE3 LYS A 26 2.295 -6.658 15.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 0.977 -5.642 17.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 2.210 -4.583 16.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 0.611 -4.320 16.142 1.00 0.00 H new ATOM 430 N VAL A 27 3.264 -3.562 9.413 1.00 0.00 N ATOM 431 CA VAL A 27 3.544 -2.680 8.292 1.00 0.00 C ATOM 432 C VAL A 27 4.465 -1.550 8.755 1.00 0.00 C ATOM 433 O VAL A 27 5.281 -1.053 7.980 1.00 0.00 O ATOM 434 CB VAL A 27 2.233 -2.174 7.686 1.00 0.00 C ATOM 435 CG1 VAL A 27 1.489 -1.267 8.669 1.00 0.00 C ATOM 436 CG2 VAL A 27 2.485 -1.455 6.359 1.00 0.00 C ATOM 0 H VAL A 27 2.318 -3.489 9.788 1.00 0.00 H new ATOM 0 HA VAL A 27 4.065 -3.220 7.501 1.00 0.00 H new ATOM 0 HB VAL A 27 1.601 -3.039 7.484 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.561 -0.921 8.214 1.00 0.00 H new ATOM 0 HG12 VAL A 27 1.262 -1.824 9.578 1.00 0.00 H new ATOM 0 HG13 VAL A 27 2.114 -0.409 8.916 1.00 0.00 H new ATOM 0 HG21 VAL A 27 1.538 -1.105 5.949 1.00 0.00 H new ATOM 0 HG22 VAL A 27 3.145 -0.603 6.526 1.00 0.00 H new ATOM 0 HG23 VAL A 27 2.953 -2.144 5.655 1.00 0.00 H new ATOM 446 N SER A 28 4.303 -1.177 10.016 1.00 0.00 N ATOM 447 CA SER A 28 5.111 -0.114 10.591 1.00 0.00 C ATOM 448 C SER A 28 6.581 -0.536 10.629 1.00 0.00 C ATOM 449 O SER A 28 7.472 0.288 10.425 1.00 0.00 O ATOM 450 CB SER A 28 4.625 0.247 11.996 1.00 0.00 C ATOM 451 OG SER A 28 5.059 -0.698 12.970 1.00 0.00 O ATOM 0 H SER A 28 3.625 -1.591 10.655 1.00 0.00 H new ATOM 0 HA SER A 28 5.011 0.771 9.962 1.00 0.00 H new ATOM 0 HB2 SER A 28 4.992 1.238 12.263 1.00 0.00 H new ATOM 0 HB3 SER A 28 3.536 0.299 12.001 1.00 0.00 H new ATOM 0 HG SER A 28 4.730 -0.431 13.854 1.00 0.00 H new ATOM 457 N ASP A 29 6.789 -1.817 10.891 1.00 0.00 N ATOM 458 CA ASP A 29 8.136 -2.358 10.959 1.00 0.00 C ATOM 459 C ASP A 29 8.718 -2.443 9.547 1.00 0.00 C ATOM 460 O ASP A 29 9.919 -2.261 9.355 1.00 0.00 O ATOM 461 CB ASP A 29 8.134 -3.767 11.555 1.00 0.00 C ATOM 462 CG ASP A 29 7.864 -3.833 13.060 1.00 0.00 C ATOM 463 OD1 ASP A 29 7.290 -2.850 13.576 1.00 0.00 O ATOM 464 OD2 ASP A 29 8.237 -4.864 13.659 1.00 0.00 O ATOM 0 H ASP A 29 6.047 -2.497 11.059 1.00 0.00 H new ATOM 0 HA ASP A 29 8.732 -1.700 11.591 1.00 0.00 H new ATOM 0 HB2 ASP A 29 7.380 -4.362 11.040 1.00 0.00 H new ATOM 0 HB3 ASP A 29 9.099 -4.232 11.354 1.00 0.00 H new ATOM 469 N VAL A 30 7.839 -2.720 8.594 1.00 0.00 N ATOM 470 CA VAL A 30 8.251 -2.831 7.205 1.00 0.00 C ATOM 471 C VAL A 30 8.538 -1.435 6.650 1.00 0.00 C ATOM 472 O VAL A 30 9.538 -1.229 5.963 1.00 0.00 O ATOM 473 CB VAL A 30 7.190 -3.587 6.404 1.00 0.00 C ATOM 474 CG1 VAL A 30 7.517 -3.571 4.909 1.00 0.00 C ATOM 475 CG2 VAL A 30 7.034 -5.020 6.916 1.00 0.00 C ATOM 0 H VAL A 30 6.843 -2.871 8.757 1.00 0.00 H new ATOM 0 HA VAL A 30 9.172 -3.408 7.124 1.00 0.00 H new ATOM 0 HB VAL A 30 6.237 -3.076 6.544 1.00 0.00 H new ATOM 0 HG11 VAL A 30 6.747 -4.115 4.362 1.00 0.00 H new ATOM 0 HG12 VAL A 30 7.553 -2.541 4.555 1.00 0.00 H new ATOM 0 HG13 VAL A 30 8.484 -4.046 4.743 1.00 0.00 H new ATOM 0 HG21 VAL A 30 6.274 -5.535 6.329 1.00 0.00 H new ATOM 0 HG22 VAL A 30 7.984 -5.546 6.821 1.00 0.00 H new ATOM 0 HG23 VAL A 30 6.733 -5.001 7.963 1.00 0.00 H new ATOM 485 N LEU A 31 7.643 -0.511 6.967 1.00 0.00 N ATOM 486 CA LEU A 31 7.788 0.860 6.508 1.00 0.00 C ATOM 487 C LEU A 31 8.999 1.497 7.192 1.00 0.00 C ATOM 488 O LEU A 31 9.551 2.478 6.696 1.00 0.00 O ATOM 489 CB LEU A 31 6.485 1.635 6.718 1.00 0.00 C ATOM 490 CG LEU A 31 5.332 1.274 5.779 1.00 0.00 C ATOM 491 CD1 LEU A 31 4.121 2.177 6.026 1.00 0.00 C ATOM 492 CD2 LEU A 31 5.783 1.307 4.318 1.00 0.00 C ATOM 0 H LEU A 31 6.815 -0.685 7.536 1.00 0.00 H new ATOM 0 HA LEU A 31 7.978 0.885 5.435 1.00 0.00 H new ATOM 0 HB2 LEU A 31 6.154 1.479 7.745 1.00 0.00 H new ATOM 0 HB3 LEU A 31 6.696 2.699 6.610 1.00 0.00 H new ATOM 0 HG LEU A 31 5.022 0.252 5.996 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.316 1.900 5.346 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.783 2.059 7.056 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.401 3.216 5.853 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.944 1.047 3.672 1.00 0.00 H new ATOM 0 HD22 LEU A 31 6.136 2.308 4.069 1.00 0.00 H new ATOM 0 HD23 LEU A 31 6.591 0.590 4.170 1.00 0.00 H new ATOM 504 N LYS A 32 9.377 0.913 8.320 1.00 0.00 N ATOM 505 CA LYS A 32 10.513 1.412 9.076 1.00 0.00 C ATOM 506 C LYS A 32 11.770 1.341 8.207 1.00 0.00 C ATOM 507 O LYS A 32 12.712 2.106 8.408 1.00 0.00 O ATOM 508 CB LYS A 32 10.641 0.664 10.405 1.00 0.00 C ATOM 509 CG LYS A 32 10.017 1.466 11.548 1.00 0.00 C ATOM 510 CD LYS A 32 10.904 1.428 12.794 1.00 0.00 C ATOM 511 CE LYS A 32 12.188 2.232 12.578 1.00 0.00 C ATOM 512 NZ LYS A 32 12.512 3.025 13.785 1.00 0.00 N ATOM 0 H LYS A 32 8.917 0.099 8.728 1.00 0.00 H new ATOM 0 HA LYS A 32 10.366 2.460 9.338 1.00 0.00 H new ATOM 0 HB2 LYS A 32 10.152 -0.307 10.328 1.00 0.00 H new ATOM 0 HB3 LYS A 32 11.693 0.475 10.620 1.00 0.00 H new ATOM 0 HG2 LYS A 32 9.870 2.499 11.234 1.00 0.00 H new ATOM 0 HG3 LYS A 32 9.033 1.062 11.786 1.00 0.00 H new ATOM 0 HD2 LYS A 32 10.357 1.831 13.646 1.00 0.00 H new ATOM 0 HD3 LYS A 32 11.154 0.395 13.035 1.00 0.00 H new ATOM 0 HE2 LYS A 32 13.012 1.557 12.347 1.00 0.00 H new ATOM 0 HE3 LYS A 32 12.069 2.895 11.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 13.386 3.565 13.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 11.732 3.682 13.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 12.646 2.386 14.595 1.00 0.00 H new ATOM 526 N LEU A 33 11.744 0.416 7.259 1.00 0.00 N ATOM 527 CA LEU A 33 12.869 0.236 6.358 1.00 0.00 C ATOM 528 C LEU A 33 12.778 1.259 5.224 1.00 0.00 C ATOM 529 O LEU A 33 13.796 1.651 4.654 1.00 0.00 O ATOM 530 CB LEU A 33 12.941 -1.213 5.874 1.00 0.00 C ATOM 531 CG LEU A 33 13.022 -2.282 6.966 1.00 0.00 C ATOM 532 CD1 LEU A 33 11.992 -3.388 6.727 1.00 0.00 C ATOM 533 CD2 LEU A 33 14.442 -2.837 7.086 1.00 0.00 C ATOM 0 H LEU A 33 10.961 -0.217 7.095 1.00 0.00 H new ATOM 0 HA LEU A 33 13.808 0.421 6.880 1.00 0.00 H new ATOM 0 HB2 LEU A 33 12.063 -1.414 5.261 1.00 0.00 H new ATOM 0 HB3 LEU A 33 13.812 -1.316 5.227 1.00 0.00 H new ATOM 0 HG LEU A 33 12.778 -1.815 7.920 1.00 0.00 H new ATOM 0 HD11 LEU A 33 12.070 -4.135 7.517 1.00 0.00 H new ATOM 0 HD12 LEU A 33 10.990 -2.959 6.731 1.00 0.00 H new ATOM 0 HD13 LEU A 33 12.181 -3.859 5.762 1.00 0.00 H new ATOM 0 HD21 LEU A 33 14.472 -3.595 7.869 1.00 0.00 H new ATOM 0 HD22 LEU A 33 14.739 -3.284 6.137 1.00 0.00 H new ATOM 0 HD23 LEU A 33 15.129 -2.029 7.337 1.00 0.00 H new ATOM 545 N PHE A 34 11.551 1.663 4.931 1.00 0.00 N ATOM 546 CA PHE A 34 11.314 2.633 3.876 1.00 0.00 C ATOM 547 C PHE A 34 11.653 4.049 4.346 1.00 0.00 C ATOM 548 O PHE A 34 11.712 4.977 3.541 1.00 0.00 O ATOM 549 CB PHE A 34 9.825 2.565 3.531 1.00 0.00 C ATOM 550 CG PHE A 34 9.457 1.424 2.582 1.00 0.00 C ATOM 551 CD1 PHE A 34 9.358 0.152 3.053 1.00 0.00 C ATOM 552 CD2 PHE A 34 9.230 1.681 1.266 1.00 0.00 C ATOM 553 CE1 PHE A 34 9.017 -0.908 2.172 1.00 0.00 C ATOM 554 CE2 PHE A 34 8.889 0.621 0.384 1.00 0.00 C ATOM 555 CZ PHE A 34 8.789 -0.651 0.856 1.00 0.00 C ATOM 0 H PHE A 34 10.710 1.336 5.406 1.00 0.00 H new ATOM 0 HA PHE A 34 11.942 2.406 3.014 1.00 0.00 H new ATOM 0 HB2 PHE A 34 9.254 2.455 4.453 1.00 0.00 H new ATOM 0 HB3 PHE A 34 9.524 3.510 3.080 1.00 0.00 H new ATOM 0 HD1 PHE A 34 9.539 -0.052 4.098 1.00 0.00 H new ATOM 0 HD2 PHE A 34 9.309 2.691 0.892 1.00 0.00 H new ATOM 0 HE1 PHE A 34 8.939 -1.918 2.547 1.00 0.00 H new ATOM 0 HE2 PHE A 34 8.709 0.825 -0.661 1.00 0.00 H new ATOM 0 HZ PHE A 34 8.529 -1.457 0.186 1.00 0.00 H new ATOM 565 N GLU A 35 11.865 4.170 5.648 1.00 0.00 N ATOM 566 CA GLU A 35 12.196 5.458 6.236 1.00 0.00 C ATOM 567 C GLU A 35 13.689 5.523 6.564 1.00 0.00 C ATOM 568 O GLU A 35 14.350 6.519 6.271 1.00 0.00 O ATOM 569 CB GLU A 35 11.349 5.726 7.482 1.00 0.00 C ATOM 570 CG GLU A 35 11.520 4.607 8.512 1.00 0.00 C ATOM 571 CD GLU A 35 10.695 4.890 9.769 1.00 0.00 C ATOM 572 OE1 GLU A 35 9.461 4.699 9.693 1.00 0.00 O ATOM 573 OE2 GLU A 35 11.316 5.289 10.777 1.00 0.00 O ATOM 0 H GLU A 35 11.814 3.398 6.313 1.00 0.00 H new ATOM 0 HA GLU A 35 11.969 6.237 5.508 1.00 0.00 H new ATOM 0 HB2 GLU A 35 11.638 6.680 7.924 1.00 0.00 H new ATOM 0 HB3 GLU A 35 10.299 5.810 7.201 1.00 0.00 H new ATOM 0 HG2 GLU A 35 11.212 3.656 8.077 1.00 0.00 H new ATOM 0 HG3 GLU A 35 12.573 4.510 8.778 1.00 0.00 H new ATOM 580 N ASP A 36 14.178 4.450 7.167 1.00 0.00 N ATOM 581 CA ASP A 36 15.581 4.373 7.538 1.00 0.00 C ATOM 582 C ASP A 36 16.261 3.273 6.720 1.00 0.00 C ATOM 583 O ASP A 36 17.440 3.381 6.387 1.00 0.00 O ATOM 584 CB ASP A 36 15.741 4.028 9.020 1.00 0.00 C ATOM 585 CG ASP A 36 15.949 5.228 9.945 1.00 0.00 C ATOM 586 OD1 ASP A 36 15.095 6.140 9.892 1.00 0.00 O ATOM 587 OD2 ASP A 36 16.957 5.208 10.684 1.00 0.00 O ATOM 0 H ASP A 36 13.627 3.626 7.408 1.00 0.00 H new ATOM 0 HA ASP A 36 16.035 5.345 7.343 1.00 0.00 H new ATOM 0 HB2 ASP A 36 14.855 3.485 9.349 1.00 0.00 H new ATOM 0 HB3 ASP A 36 16.589 3.352 9.131 1.00 0.00 H new ATOM 592 N GLY A 37 15.488 2.240 6.420 1.00 0.00 N ATOM 593 CA GLY A 37 16.000 1.121 5.648 1.00 0.00 C ATOM 594 C GLY A 37 16.319 1.546 4.213 1.00 0.00 C ATOM 595 O GLY A 37 15.950 2.640 3.789 1.00 0.00 O ATOM 0 H GLY A 37 14.510 2.154 6.698 1.00 0.00 H new ATOM 0 HA2 GLY A 37 16.899 0.728 6.123 1.00 0.00 H new ATOM 0 HA3 GLY A 37 15.266 0.315 5.638 1.00 0.00 H new ATOM 599 N GLU A 38 17.001 0.658 3.504 1.00 0.00 N ATOM 600 CA GLU A 38 17.374 0.927 2.126 1.00 0.00 C ATOM 601 C GLU A 38 16.123 1.116 1.265 1.00 0.00 C ATOM 602 O GLU A 38 16.169 1.787 0.236 1.00 0.00 O ATOM 603 CB GLU A 38 18.259 -0.190 1.569 1.00 0.00 C ATOM 604 CG GLU A 38 17.412 -1.312 0.967 1.00 0.00 C ATOM 605 CD GLU A 38 18.218 -2.608 0.855 1.00 0.00 C ATOM 606 OE1 GLU A 38 18.409 -3.251 1.911 1.00 0.00 O ATOM 607 OE2 GLU A 38 18.626 -2.927 -0.282 1.00 0.00 O ATOM 0 H GLU A 38 17.305 -0.249 3.859 1.00 0.00 H new ATOM 0 HA GLU A 38 17.952 1.851 2.100 1.00 0.00 H new ATOM 0 HB2 GLU A 38 18.926 0.215 0.808 1.00 0.00 H new ATOM 0 HB3 GLU A 38 18.888 -0.591 2.364 1.00 0.00 H new ATOM 0 HG2 GLU A 38 16.531 -1.480 1.587 1.00 0.00 H new ATOM 0 HG3 GLU A 38 17.056 -1.015 -0.019 1.00 0.00 H new ATOM 614 N MET A 39 15.035 0.511 1.719 1.00 0.00 N ATOM 615 CA MET A 39 13.774 0.604 1.003 1.00 0.00 C ATOM 616 C MET A 39 13.367 2.065 0.797 1.00 0.00 C ATOM 617 O MET A 39 12.515 2.363 -0.039 1.00 0.00 O ATOM 618 CB MET A 39 12.683 -0.123 1.793 1.00 0.00 C ATOM 619 CG MET A 39 12.730 -1.630 1.532 1.00 0.00 C ATOM 620 SD MET A 39 11.767 -2.028 0.083 1.00 0.00 S ATOM 621 CE MET A 39 13.049 -2.001 -1.159 1.00 0.00 C ATOM 0 H MET A 39 15.001 -0.045 2.573 1.00 0.00 H new ATOM 0 HA MET A 39 13.898 0.139 0.025 1.00 0.00 H new ATOM 0 HB2 MET A 39 12.811 0.069 2.858 1.00 0.00 H new ATOM 0 HB3 MET A 39 11.705 0.268 1.513 1.00 0.00 H new ATOM 0 HG2 MET A 39 13.762 -1.951 1.392 1.00 0.00 H new ATOM 0 HG3 MET A 39 12.342 -2.169 2.396 1.00 0.00 H new ATOM 0 HE1 MET A 39 12.833 -2.750 -1.921 1.00 0.00 H new ATOM 0 HE2 MET A 39 13.088 -1.014 -1.621 1.00 0.00 H new ATOM 0 HE3 MET A 39 14.010 -2.222 -0.695 1.00 0.00 H new ATOM 631 N ALA A 40 13.995 2.936 1.573 1.00 0.00 N ATOM 632 CA ALA A 40 13.709 4.358 1.485 1.00 0.00 C ATOM 633 C ALA A 40 14.366 4.930 0.228 1.00 0.00 C ATOM 634 O ALA A 40 14.216 6.113 -0.072 1.00 0.00 O ATOM 635 CB ALA A 40 14.187 5.054 2.761 1.00 0.00 C ATOM 0 H ALA A 40 14.701 2.685 2.265 1.00 0.00 H new ATOM 0 HA ALA A 40 12.636 4.529 1.402 1.00 0.00 H new ATOM 0 HB1 ALA A 40 13.973 6.121 2.696 1.00 0.00 H new ATOM 0 HB2 ALA A 40 13.668 4.632 3.622 1.00 0.00 H new ATOM 0 HB3 ALA A 40 15.261 4.906 2.876 1.00 0.00 H new ATOM 641 N LYS A 41 15.081 4.062 -0.474 1.00 0.00 N ATOM 642 CA LYS A 41 15.762 4.466 -1.692 1.00 0.00 C ATOM 643 C LYS A 41 14.724 4.791 -2.768 1.00 0.00 C ATOM 644 O LYS A 41 14.990 5.578 -3.675 1.00 0.00 O ATOM 645 CB LYS A 41 16.777 3.402 -2.117 1.00 0.00 C ATOM 646 CG LYS A 41 16.072 2.169 -2.686 1.00 0.00 C ATOM 647 CD LYS A 41 16.804 1.641 -3.921 1.00 0.00 C ATOM 648 CE LYS A 41 16.518 0.153 -4.133 1.00 0.00 C ATOM 649 NZ LYS A 41 17.664 -0.665 -3.679 1.00 0.00 N ATOM 0 H LYS A 41 15.203 3.081 -0.222 1.00 0.00 H new ATOM 0 HA LYS A 41 16.340 5.374 -1.522 1.00 0.00 H new ATOM 0 HB2 LYS A 41 17.453 3.817 -2.865 1.00 0.00 H new ATOM 0 HB3 LYS A 41 17.387 3.114 -1.261 1.00 0.00 H new ATOM 0 HG2 LYS A 41 16.025 1.389 -1.926 1.00 0.00 H new ATOM 0 HG3 LYS A 41 15.045 2.422 -2.948 1.00 0.00 H new ATOM 0 HD2 LYS A 41 16.493 2.204 -4.801 1.00 0.00 H new ATOM 0 HD3 LYS A 41 17.877 1.796 -3.806 1.00 0.00 H new ATOM 0 HE2 LYS A 41 15.620 -0.132 -3.585 1.00 0.00 H new ATOM 0 HE3 LYS A 41 16.322 -0.039 -5.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 17.453 -1.672 -3.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 18.513 -0.404 -4.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 17.833 -0.495 -2.667 1.00 0.00 H new ATOM 663 N TYR A 42 13.563 4.167 -2.632 1.00 0.00 N ATOM 664 CA TYR A 42 12.484 4.379 -3.581 1.00 0.00 C ATOM 665 C TYR A 42 11.317 5.122 -2.928 1.00 0.00 C ATOM 666 O TYR A 42 10.158 4.755 -3.118 1.00 0.00 O ATOM 667 CB TYR A 42 12.014 2.986 -4.004 1.00 0.00 C ATOM 668 CG TYR A 42 12.782 2.404 -5.192 1.00 0.00 C ATOM 669 CD1 TYR A 42 14.027 2.900 -5.519 1.00 0.00 C ATOM 670 CD2 TYR A 42 12.229 1.382 -5.938 1.00 0.00 C ATOM 671 CE1 TYR A 42 14.750 2.353 -6.637 1.00 0.00 C ATOM 672 CE2 TYR A 42 12.952 0.834 -7.056 1.00 0.00 C ATOM 673 CZ TYR A 42 14.177 1.347 -7.351 1.00 0.00 C ATOM 674 OH TYR A 42 14.860 0.829 -8.407 1.00 0.00 O ATOM 0 H TYR A 42 13.346 3.514 -1.879 1.00 0.00 H new ATOM 0 HA TYR A 42 12.827 4.978 -4.424 1.00 0.00 H new ATOM 0 HB2 TYR A 42 12.110 2.308 -3.156 1.00 0.00 H new ATOM 0 HB3 TYR A 42 10.955 3.032 -4.257 1.00 0.00 H new ATOM 0 HD1 TYR A 42 14.460 3.699 -4.936 1.00 0.00 H new ATOM 0 HD2 TYR A 42 11.254 0.994 -5.683 1.00 0.00 H new ATOM 0 HE1 TYR A 42 15.725 2.733 -6.903 1.00 0.00 H new ATOM 0 HE2 TYR A 42 12.531 0.034 -7.647 1.00 0.00 H new ATOM 0 HH TYR A 42 14.330 0.117 -8.822 1.00 0.00 H new ATOM 684 N VAL A 43 11.663 6.153 -2.171 1.00 0.00 N ATOM 685 CA VAL A 43 10.658 6.950 -1.488 1.00 0.00 C ATOM 686 C VAL A 43 10.863 8.426 -1.834 1.00 0.00 C ATOM 687 O VAL A 43 11.968 8.950 -1.706 1.00 0.00 O ATOM 688 CB VAL A 43 10.707 6.677 0.017 1.00 0.00 C ATOM 689 CG1 VAL A 43 9.783 7.629 0.778 1.00 0.00 C ATOM 690 CG2 VAL A 43 10.361 5.217 0.321 1.00 0.00 C ATOM 0 H VAL A 43 12.625 6.455 -2.016 1.00 0.00 H new ATOM 0 HA VAL A 43 9.658 6.673 -1.823 1.00 0.00 H new ATOM 0 HB VAL A 43 11.727 6.858 0.357 1.00 0.00 H new ATOM 0 HG11 VAL A 43 9.837 7.413 1.845 1.00 0.00 H new ATOM 0 HG12 VAL A 43 10.094 8.658 0.600 1.00 0.00 H new ATOM 0 HG13 VAL A 43 8.758 7.495 0.432 1.00 0.00 H new ATOM 0 HG21 VAL A 43 10.403 5.050 1.397 1.00 0.00 H new ATOM 0 HG22 VAL A 43 9.357 4.998 -0.041 1.00 0.00 H new ATOM 0 HG23 VAL A 43 11.077 4.562 -0.176 1.00 0.00 H new ATOM 700 N GLN A 44 9.780 9.055 -2.266 1.00 0.00 N ATOM 701 CA GLN A 44 9.827 10.461 -2.632 1.00 0.00 C ATOM 702 C GLN A 44 8.906 11.277 -1.722 1.00 0.00 C ATOM 703 O GLN A 44 7.706 11.016 -1.653 1.00 0.00 O ATOM 704 CB GLN A 44 9.458 10.657 -4.104 1.00 0.00 C ATOM 705 CG GLN A 44 10.611 10.237 -5.018 1.00 0.00 C ATOM 706 CD GLN A 44 10.415 10.785 -6.433 1.00 0.00 C ATOM 707 OE1 GLN A 44 10.275 10.050 -7.397 1.00 0.00 O ATOM 708 NE2 GLN A 44 10.415 12.113 -6.504 1.00 0.00 N ATOM 0 H GLN A 44 8.865 8.617 -2.371 1.00 0.00 H new ATOM 0 HA GLN A 44 10.848 10.818 -2.497 1.00 0.00 H new ATOM 0 HB2 GLN A 44 8.569 10.072 -4.341 1.00 0.00 H new ATOM 0 HB3 GLN A 44 9.209 11.703 -4.284 1.00 0.00 H new ATOM 0 HG2 GLN A 44 11.554 10.601 -4.610 1.00 0.00 H new ATOM 0 HG3 GLN A 44 10.676 9.149 -5.051 1.00 0.00 H new ATOM 0 HE21 GLN A 44 10.537 12.669 -5.658 1.00 0.00 H new ATOM 0 HE22 GLN A 44 10.293 12.576 -7.405 1.00 0.00 H new ATOM 717 N GLY A 45 9.503 12.249 -1.048 1.00 0.00 N ATOM 718 CA GLY A 45 8.751 13.105 -0.146 1.00 0.00 C ATOM 719 C GLY A 45 7.811 12.280 0.737 1.00 0.00 C ATOM 720 O GLY A 45 6.598 12.484 0.718 1.00 0.00 O ATOM 0 H GLY A 45 10.499 12.463 -1.108 1.00 0.00 H new ATOM 0 HA2 GLY A 45 9.439 13.673 0.480 1.00 0.00 H new ATOM 0 HA3 GLY A 45 8.173 13.828 -0.722 1.00 0.00 H new ATOM 724 N ASP A 46 8.407 11.366 1.489 1.00 0.00 N ATOM 725 CA ASP A 46 7.639 10.510 2.376 1.00 0.00 C ATOM 726 C ASP A 46 6.548 9.799 1.574 1.00 0.00 C ATOM 727 O ASP A 46 5.548 9.356 2.136 1.00 0.00 O ATOM 728 CB ASP A 46 6.960 11.327 3.477 1.00 0.00 C ATOM 729 CG ASP A 46 7.884 11.784 4.607 1.00 0.00 C ATOM 730 OD1 ASP A 46 8.593 12.790 4.389 1.00 0.00 O ATOM 731 OD2 ASP A 46 7.861 11.117 5.664 1.00 0.00 O ATOM 0 H ASP A 46 9.413 11.200 1.502 1.00 0.00 H new ATOM 0 HA ASP A 46 8.324 9.793 2.829 1.00 0.00 H new ATOM 0 HB2 ASP A 46 6.501 12.206 3.025 1.00 0.00 H new ATOM 0 HB3 ASP A 46 6.154 10.732 3.906 1.00 0.00 H new ATOM 736 N ALA A 47 6.778 9.712 0.272 1.00 0.00 N ATOM 737 CA ALA A 47 5.827 9.062 -0.614 1.00 0.00 C ATOM 738 C ALA A 47 6.540 7.960 -1.401 1.00 0.00 C ATOM 739 O ALA A 47 7.767 7.883 -1.395 1.00 0.00 O ATOM 740 CB ALA A 47 5.182 10.107 -1.527 1.00 0.00 C ATOM 0 H ALA A 47 7.609 10.081 -0.191 1.00 0.00 H new ATOM 0 HA ALA A 47 5.028 8.593 -0.041 1.00 0.00 H new ATOM 0 HB1 ALA A 47 4.469 9.619 -2.191 1.00 0.00 H new ATOM 0 HB2 ALA A 47 4.664 10.850 -0.921 1.00 0.00 H new ATOM 0 HB3 ALA A 47 5.954 10.598 -2.120 1.00 0.00 H new ATOM 746 N ILE A 48 5.739 7.135 -2.060 1.00 0.00 N ATOM 747 CA ILE A 48 6.279 6.042 -2.850 1.00 0.00 C ATOM 748 C ILE A 48 5.451 5.885 -4.128 1.00 0.00 C ATOM 749 O ILE A 48 4.264 6.208 -4.146 1.00 0.00 O ATOM 750 CB ILE A 48 6.363 4.765 -2.011 1.00 0.00 C ATOM 751 CG1 ILE A 48 6.934 3.607 -2.831 1.00 0.00 C ATOM 752 CG2 ILE A 48 5.003 4.419 -1.401 1.00 0.00 C ATOM 753 CD1 ILE A 48 6.843 2.290 -2.058 1.00 0.00 C ATOM 0 H ILE A 48 4.721 7.202 -2.063 1.00 0.00 H new ATOM 0 HA ILE A 48 7.302 6.262 -3.157 1.00 0.00 H new ATOM 0 HB ILE A 48 7.051 4.944 -1.184 1.00 0.00 H new ATOM 0 HG12 ILE A 48 6.389 3.519 -3.771 1.00 0.00 H new ATOM 0 HG13 ILE A 48 7.974 3.814 -3.083 1.00 0.00 H new ATOM 0 HG21 ILE A 48 5.091 3.507 -0.810 1.00 0.00 H new ATOM 0 HG22 ILE A 48 4.673 5.237 -0.760 1.00 0.00 H new ATOM 0 HG23 ILE A 48 4.275 4.266 -2.198 1.00 0.00 H new ATOM 0 HD11 ILE A 48 7.256 1.483 -2.664 1.00 0.00 H new ATOM 0 HD12 ILE A 48 7.409 2.373 -1.130 1.00 0.00 H new ATOM 0 HD13 ILE A 48 5.800 2.074 -1.829 1.00 0.00 H new ATOM 765 N GLY A 49 6.110 5.389 -5.164 1.00 0.00 N ATOM 766 CA GLY A 49 5.451 5.185 -6.443 1.00 0.00 C ATOM 767 C GLY A 49 4.818 3.794 -6.518 1.00 0.00 C ATOM 768 O GLY A 49 4.971 2.988 -5.601 1.00 0.00 O ATOM 0 H GLY A 49 7.094 5.122 -5.144 1.00 0.00 H new ATOM 0 HA2 GLY A 49 4.684 5.946 -6.586 1.00 0.00 H new ATOM 0 HA3 GLY A 49 6.173 5.304 -7.251 1.00 0.00 H new ATOM 772 N TYR A 50 4.120 3.555 -7.619 1.00 0.00 N ATOM 773 CA TYR A 50 3.464 2.275 -7.825 1.00 0.00 C ATOM 774 C TYR A 50 4.490 1.160 -8.032 1.00 0.00 C ATOM 775 O TYR A 50 4.240 0.008 -7.680 1.00 0.00 O ATOM 776 CB TYR A 50 2.631 2.429 -9.100 1.00 0.00 C ATOM 777 CG TYR A 50 2.355 1.111 -9.825 1.00 0.00 C ATOM 778 CD1 TYR A 50 2.043 -0.022 -9.103 1.00 0.00 C ATOM 779 CD2 TYR A 50 2.418 1.056 -11.203 1.00 0.00 C ATOM 780 CE1 TYR A 50 1.783 -1.263 -9.786 1.00 0.00 C ATOM 781 CE2 TYR A 50 2.157 -0.185 -11.886 1.00 0.00 C ATOM 782 CZ TYR A 50 1.853 -1.283 -11.144 1.00 0.00 C ATOM 783 OH TYR A 50 1.607 -2.455 -11.789 1.00 0.00 O ATOM 0 H TYR A 50 3.995 4.226 -8.377 1.00 0.00 H new ATOM 0 HA TYR A 50 2.858 2.010 -6.959 1.00 0.00 H new ATOM 0 HB2 TYR A 50 1.680 2.898 -8.846 1.00 0.00 H new ATOM 0 HB3 TYR A 50 3.149 3.105 -9.781 1.00 0.00 H new ATOM 0 HD1 TYR A 50 1.994 0.021 -8.025 1.00 0.00 H new ATOM 0 HD2 TYR A 50 2.663 1.943 -11.769 1.00 0.00 H new ATOM 0 HE1 TYR A 50 1.538 -2.157 -9.232 1.00 0.00 H new ATOM 0 HE2 TYR A 50 2.202 -0.242 -12.964 1.00 0.00 H new ATOM 0 HH TYR A 50 1.692 -2.320 -12.756 1.00 0.00 H new ATOM 793 N GLU A 51 5.623 1.540 -8.604 1.00 0.00 N ATOM 794 CA GLU A 51 6.689 0.587 -8.862 1.00 0.00 C ATOM 795 C GLU A 51 7.305 0.110 -7.545 1.00 0.00 C ATOM 796 O GLU A 51 7.372 -1.091 -7.286 1.00 0.00 O ATOM 797 CB GLU A 51 7.754 1.190 -9.780 1.00 0.00 C ATOM 798 CG GLU A 51 8.417 0.108 -10.635 1.00 0.00 C ATOM 799 CD GLU A 51 9.780 0.575 -11.150 1.00 0.00 C ATOM 800 OE1 GLU A 51 9.788 1.550 -11.932 1.00 0.00 O ATOM 801 OE2 GLU A 51 10.784 -0.053 -10.749 1.00 0.00 O ATOM 0 H GLU A 51 5.826 2.496 -8.896 1.00 0.00 H new ATOM 0 HA GLU A 51 6.263 -0.276 -9.374 1.00 0.00 H new ATOM 0 HB2 GLU A 51 7.299 1.941 -10.426 1.00 0.00 H new ATOM 0 HB3 GLU A 51 8.509 1.699 -9.181 1.00 0.00 H new ATOM 0 HG2 GLU A 51 8.539 -0.802 -10.047 1.00 0.00 H new ATOM 0 HG3 GLU A 51 7.772 -0.141 -11.477 1.00 0.00 H new ATOM 808 N GLY A 52 7.740 1.075 -6.749 1.00 0.00 N ATOM 809 CA GLY A 52 8.348 0.769 -5.465 1.00 0.00 C ATOM 810 C GLY A 52 7.424 -0.105 -4.615 1.00 0.00 C ATOM 811 O GLY A 52 7.892 -0.918 -3.819 1.00 0.00 O ATOM 0 H GLY A 52 7.684 2.070 -6.968 1.00 0.00 H new ATOM 0 HA2 GLY A 52 9.297 0.256 -5.621 1.00 0.00 H new ATOM 0 HA3 GLY A 52 8.569 1.695 -4.934 1.00 0.00 H new ATOM 815 N PHE A 53 6.129 0.092 -4.812 1.00 0.00 N ATOM 816 CA PHE A 53 5.135 -0.667 -4.073 1.00 0.00 C ATOM 817 C PHE A 53 5.225 -2.158 -4.407 1.00 0.00 C ATOM 818 O PHE A 53 4.849 -3.003 -3.596 1.00 0.00 O ATOM 819 CB PHE A 53 3.762 -0.143 -4.500 1.00 0.00 C ATOM 820 CG PHE A 53 2.590 -0.794 -3.763 1.00 0.00 C ATOM 821 CD1 PHE A 53 2.194 -0.311 -2.555 1.00 0.00 C ATOM 822 CD2 PHE A 53 1.946 -1.856 -4.316 1.00 0.00 C ATOM 823 CE1 PHE A 53 1.106 -0.916 -1.871 1.00 0.00 C ATOM 824 CE2 PHE A 53 0.858 -2.461 -3.632 1.00 0.00 C ATOM 825 CZ PHE A 53 0.461 -1.978 -2.424 1.00 0.00 C ATOM 0 H PHE A 53 5.745 0.767 -5.473 1.00 0.00 H new ATOM 0 HA PHE A 53 5.299 -0.551 -3.002 1.00 0.00 H new ATOM 0 HB2 PHE A 53 3.728 0.934 -4.335 1.00 0.00 H new ATOM 0 HB3 PHE A 53 3.640 -0.305 -5.571 1.00 0.00 H new ATOM 0 HD1 PHE A 53 2.707 0.532 -2.116 1.00 0.00 H new ATOM 0 HD2 PHE A 53 2.262 -2.239 -5.275 1.00 0.00 H new ATOM 0 HE1 PHE A 53 0.791 -0.533 -0.912 1.00 0.00 H new ATOM 0 HE2 PHE A 53 0.346 -3.304 -4.071 1.00 0.00 H new ATOM 0 HZ PHE A 53 -0.366 -2.438 -1.904 1.00 0.00 H new ATOM 835 N GLN A 54 5.725 -2.435 -5.602 1.00 0.00 N ATOM 836 CA GLN A 54 5.868 -3.809 -6.053 1.00 0.00 C ATOM 837 C GLN A 54 6.852 -4.562 -5.155 1.00 0.00 C ATOM 838 O GLN A 54 6.592 -5.698 -4.759 1.00 0.00 O ATOM 839 CB GLN A 54 6.311 -3.862 -7.516 1.00 0.00 C ATOM 840 CG GLN A 54 5.548 -2.837 -8.358 1.00 0.00 C ATOM 841 CD GLN A 54 4.690 -3.529 -9.419 1.00 0.00 C ATOM 842 OE1 GLN A 54 4.159 -4.609 -9.217 1.00 0.00 O ATOM 843 NE2 GLN A 54 4.584 -2.849 -10.557 1.00 0.00 N ATOM 0 H GLN A 54 6.036 -1.732 -6.272 1.00 0.00 H new ATOM 0 HA GLN A 54 4.896 -4.297 -5.984 1.00 0.00 H new ATOM 0 HB2 GLN A 54 7.382 -3.668 -7.583 1.00 0.00 H new ATOM 0 HB3 GLN A 54 6.143 -4.863 -7.914 1.00 0.00 H new ATOM 0 HG2 GLN A 54 4.914 -2.230 -7.712 1.00 0.00 H new ATOM 0 HG3 GLN A 54 6.253 -2.160 -8.840 1.00 0.00 H new ATOM 0 HE21 GLN A 54 5.055 -1.950 -10.660 1.00 0.00 H new ATOM 0 HE22 GLN A 54 4.032 -3.227 -11.327 1.00 0.00 H new ATOM 852 N GLN A 55 7.960 -3.899 -4.859 1.00 0.00 N ATOM 853 CA GLN A 55 8.983 -4.492 -4.014 1.00 0.00 C ATOM 854 C GLN A 55 8.544 -4.466 -2.549 1.00 0.00 C ATOM 855 O GLN A 55 9.030 -5.251 -1.737 1.00 0.00 O ATOM 856 CB GLN A 55 10.325 -3.780 -4.197 1.00 0.00 C ATOM 857 CG GLN A 55 10.189 -2.278 -3.939 1.00 0.00 C ATOM 858 CD GLN A 55 11.561 -1.626 -3.761 1.00 0.00 C ATOM 859 OE1 GLN A 55 12.595 -2.204 -4.053 1.00 0.00 O ATOM 860 NE2 GLN A 55 11.513 -0.392 -3.268 1.00 0.00 N ATOM 0 H GLN A 55 8.172 -2.957 -5.189 1.00 0.00 H new ATOM 0 HA GLN A 55 9.116 -5.531 -4.314 1.00 0.00 H new ATOM 0 HB2 GLN A 55 11.062 -4.204 -3.515 1.00 0.00 H new ATOM 0 HB3 GLN A 55 10.694 -3.947 -5.209 1.00 0.00 H new ATOM 0 HG2 GLN A 55 9.665 -1.808 -4.771 1.00 0.00 H new ATOM 0 HG3 GLN A 55 9.585 -2.112 -3.047 1.00 0.00 H new ATOM 0 HE21 GLN A 55 10.613 0.033 -3.045 1.00 0.00 H new ATOM 0 HE22 GLN A 55 12.376 0.129 -3.113 1.00 0.00 H new ATOM 869 N PHE A 56 7.629 -3.553 -2.255 1.00 0.00 N ATOM 870 CA PHE A 56 7.119 -3.414 -0.902 1.00 0.00 C ATOM 871 C PHE A 56 6.281 -4.630 -0.504 1.00 0.00 C ATOM 872 O PHE A 56 6.363 -5.102 0.629 1.00 0.00 O ATOM 873 CB PHE A 56 6.229 -2.169 -0.886 1.00 0.00 C ATOM 874 CG PHE A 56 5.276 -2.101 0.309 1.00 0.00 C ATOM 875 CD1 PHE A 56 5.767 -1.890 1.560 1.00 0.00 C ATOM 876 CD2 PHE A 56 3.937 -2.253 0.121 1.00 0.00 C ATOM 877 CE1 PHE A 56 4.882 -1.827 2.669 1.00 0.00 C ATOM 878 CE2 PHE A 56 3.053 -2.190 1.230 1.00 0.00 C ATOM 879 CZ PHE A 56 3.544 -1.978 2.480 1.00 0.00 C ATOM 0 H PHE A 56 7.228 -2.903 -2.931 1.00 0.00 H new ATOM 0 HA PHE A 56 7.948 -3.332 -0.199 1.00 0.00 H new ATOM 0 HB2 PHE A 56 6.863 -1.282 -0.883 1.00 0.00 H new ATOM 0 HB3 PHE A 56 5.645 -2.141 -1.806 1.00 0.00 H new ATOM 0 HD1 PHE A 56 6.830 -1.770 1.710 1.00 0.00 H new ATOM 0 HD2 PHE A 56 3.547 -2.422 -0.872 1.00 0.00 H new ATOM 0 HE1 PHE A 56 5.272 -1.659 3.662 1.00 0.00 H new ATOM 0 HE2 PHE A 56 1.990 -2.311 1.081 1.00 0.00 H new ATOM 0 HZ PHE A 56 2.871 -1.930 3.323 1.00 0.00 H new ATOM 889 N LEU A 57 5.493 -5.104 -1.459 1.00 0.00 N ATOM 890 CA LEU A 57 4.641 -6.257 -1.222 1.00 0.00 C ATOM 891 C LEU A 57 5.512 -7.470 -0.891 1.00 0.00 C ATOM 892 O LEU A 57 5.046 -8.421 -0.263 1.00 0.00 O ATOM 893 CB LEU A 57 3.701 -6.481 -2.408 1.00 0.00 C ATOM 894 CG LEU A 57 2.494 -5.544 -2.493 1.00 0.00 C ATOM 895 CD1 LEU A 57 2.244 -5.102 -3.936 1.00 0.00 C ATOM 896 CD2 LEU A 57 1.255 -6.188 -1.868 1.00 0.00 C ATOM 0 H LEU A 57 5.427 -4.710 -2.398 1.00 0.00 H new ATOM 0 HA LEU A 57 3.995 -6.083 -0.361 1.00 0.00 H new ATOM 0 HB2 LEU A 57 4.278 -6.382 -3.327 1.00 0.00 H new ATOM 0 HB3 LEU A 57 3.337 -7.508 -2.369 1.00 0.00 H new ATOM 0 HG LEU A 57 2.717 -4.647 -1.915 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.381 -4.437 -3.968 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.121 -4.576 -4.313 1.00 0.00 H new ATOM 0 HD13 LEU A 57 2.051 -5.977 -4.556 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.412 -5.501 -1.942 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.019 -7.111 -2.397 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.451 -6.411 -0.819 1.00 0.00 H new ATOM 908 N LYS A 58 6.761 -7.399 -1.327 1.00 0.00 N ATOM 909 CA LYS A 58 7.701 -8.480 -1.084 1.00 0.00 C ATOM 910 C LYS A 58 8.047 -8.524 0.406 1.00 0.00 C ATOM 911 O LYS A 58 7.809 -9.531 1.072 1.00 0.00 O ATOM 912 CB LYS A 58 8.923 -8.342 -1.995 1.00 0.00 C ATOM 913 CG LYS A 58 9.920 -9.476 -1.750 1.00 0.00 C ATOM 914 CD LYS A 58 10.269 -10.192 -3.056 1.00 0.00 C ATOM 915 CE LYS A 58 11.784 -10.257 -3.259 1.00 0.00 C ATOM 916 NZ LYS A 58 12.146 -9.786 -4.614 1.00 0.00 N ATOM 0 H LYS A 58 7.144 -6.610 -1.847 1.00 0.00 H new ATOM 0 HA LYS A 58 7.251 -9.440 -1.336 1.00 0.00 H new ATOM 0 HB2 LYS A 58 8.606 -8.350 -3.038 1.00 0.00 H new ATOM 0 HB3 LYS A 58 9.408 -7.382 -1.817 1.00 0.00 H new ATOM 0 HG2 LYS A 58 10.827 -9.076 -1.297 1.00 0.00 H new ATOM 0 HG3 LYS A 58 9.498 -10.189 -1.042 1.00 0.00 H new ATOM 0 HD2 LYS A 58 9.857 -11.201 -3.043 1.00 0.00 H new ATOM 0 HD3 LYS A 58 9.808 -9.670 -3.895 1.00 0.00 H new ATOM 0 HE2 LYS A 58 12.284 -9.644 -2.509 1.00 0.00 H new ATOM 0 HE3 LYS A 58 12.132 -11.280 -3.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 13.178 -9.837 -4.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 11.684 -10.387 -5.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 11.831 -8.802 -4.735 1.00 0.00 H new ATOM 930 N ILE A 59 8.603 -7.421 0.885 1.00 0.00 N ATOM 931 CA ILE A 59 8.984 -7.321 2.283 1.00 0.00 C ATOM 932 C ILE A 59 7.723 -7.232 3.146 1.00 0.00 C ATOM 933 O ILE A 59 7.613 -7.915 4.163 1.00 0.00 O ATOM 934 CB ILE A 59 9.956 -6.158 2.492 1.00 0.00 C ATOM 935 CG1 ILE A 59 11.117 -6.228 1.498 1.00 0.00 C ATOM 936 CG2 ILE A 59 10.444 -6.105 3.941 1.00 0.00 C ATOM 937 CD1 ILE A 59 10.804 -5.427 0.233 1.00 0.00 C ATOM 0 H ILE A 59 8.799 -6.588 0.329 1.00 0.00 H new ATOM 0 HA ILE A 59 9.522 -8.216 2.596 1.00 0.00 H new ATOM 0 HB ILE A 59 9.422 -5.228 2.298 1.00 0.00 H new ATOM 0 HG12 ILE A 59 12.023 -5.840 1.964 1.00 0.00 H new ATOM 0 HG13 ILE A 59 11.314 -7.267 1.235 1.00 0.00 H new ATOM 0 HG21 ILE A 59 11.133 -5.270 4.062 1.00 0.00 H new ATOM 0 HG22 ILE A 59 9.592 -5.972 4.607 1.00 0.00 H new ATOM 0 HG23 ILE A 59 10.955 -7.036 4.187 1.00 0.00 H new ATOM 0 HD11 ILE A 59 11.645 -5.493 -0.457 1.00 0.00 H new ATOM 0 HD12 ILE A 59 9.911 -5.833 -0.243 1.00 0.00 H new ATOM 0 HD13 ILE A 59 10.632 -4.383 0.496 1.00 0.00 H new ATOM 949 N TYR A 60 6.804 -6.385 2.707 1.00 0.00 N ATOM 950 CA TYR A 60 5.555 -6.198 3.427 1.00 0.00 C ATOM 951 C TYR A 60 5.021 -7.531 3.954 1.00 0.00 C ATOM 952 O TYR A 60 5.085 -7.800 5.152 1.00 0.00 O ATOM 953 CB TYR A 60 4.563 -5.631 2.409 1.00 0.00 C ATOM 954 CG TYR A 60 3.110 -5.639 2.886 1.00 0.00 C ATOM 955 CD1 TYR A 60 2.823 -5.497 4.228 1.00 0.00 C ATOM 956 CD2 TYR A 60 2.085 -5.789 1.973 1.00 0.00 C ATOM 957 CE1 TYR A 60 1.454 -5.505 4.677 1.00 0.00 C ATOM 958 CE2 TYR A 60 0.717 -5.797 2.422 1.00 0.00 C ATOM 959 CZ TYR A 60 0.469 -5.655 3.752 1.00 0.00 C ATOM 960 OH TYR A 60 -0.823 -5.662 4.175 1.00 0.00 O ATOM 0 H TYR A 60 6.899 -5.821 1.863 1.00 0.00 H new ATOM 0 HA TYR A 60 5.700 -5.538 4.282 1.00 0.00 H new ATOM 0 HB2 TYR A 60 4.850 -4.607 2.168 1.00 0.00 H new ATOM 0 HB3 TYR A 60 4.635 -6.207 1.487 1.00 0.00 H new ATOM 0 HD1 TYR A 60 3.625 -5.380 4.942 1.00 0.00 H new ATOM 0 HD2 TYR A 60 2.309 -5.900 0.922 1.00 0.00 H new ATOM 0 HE1 TYR A 60 1.216 -5.394 5.725 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -0.094 -5.913 1.719 1.00 0.00 H new ATOM 0 HH TYR A 60 -1.128 -4.740 4.309 1.00 0.00 H new ATOM 970 N LEU A 61 4.505 -8.331 3.032 1.00 0.00 N ATOM 971 CA LEU A 61 3.960 -9.630 3.389 1.00 0.00 C ATOM 972 C LEU A 61 5.096 -10.651 3.467 1.00 0.00 C ATOM 973 O LEU A 61 4.871 -11.810 3.813 1.00 0.00 O ATOM 974 CB LEU A 61 2.843 -10.026 2.421 1.00 0.00 C ATOM 975 CG LEU A 61 1.731 -8.994 2.221 1.00 0.00 C ATOM 976 CD1 LEU A 61 1.780 -8.402 0.811 1.00 0.00 C ATOM 977 CD2 LEU A 61 0.361 -9.593 2.544 1.00 0.00 C ATOM 0 H LEU A 61 4.453 -8.105 2.039 1.00 0.00 H new ATOM 0 HA LEU A 61 3.498 -9.591 4.375 1.00 0.00 H new ATOM 0 HB2 LEU A 61 3.290 -10.242 1.451 1.00 0.00 H new ATOM 0 HB3 LEU A 61 2.392 -10.952 2.777 1.00 0.00 H new ATOM 0 HG LEU A 61 1.896 -8.175 2.921 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.979 -7.672 0.695 1.00 0.00 H new ATOM 0 HD12 LEU A 61 2.742 -7.914 0.655 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.654 -9.198 0.077 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -0.411 -8.838 2.393 1.00 0.00 H new ATOM 0 HD22 LEU A 61 0.171 -10.442 1.887 1.00 0.00 H new ATOM 0 HD23 LEU A 61 0.345 -9.926 3.582 1.00 0.00 H new ATOM 989 N GLU A 62 6.292 -10.184 3.141 1.00 0.00 N ATOM 990 CA GLU A 62 7.464 -11.042 3.170 1.00 0.00 C ATOM 991 C GLU A 62 7.387 -12.085 2.053 1.00 0.00 C ATOM 992 O GLU A 62 8.228 -12.979 1.974 1.00 0.00 O ATOM 993 CB GLU A 62 7.619 -11.713 4.537 1.00 0.00 C ATOM 994 CG GLU A 62 8.687 -11.009 5.375 1.00 0.00 C ATOM 995 CD GLU A 62 8.083 -10.419 6.651 1.00 0.00 C ATOM 996 OE1 GLU A 62 7.551 -11.220 7.450 1.00 0.00 O ATOM 997 OE2 GLU A 62 8.166 -9.181 6.799 1.00 0.00 O ATOM 0 H GLU A 62 6.475 -9.222 2.855 1.00 0.00 H new ATOM 0 HA GLU A 62 8.346 -10.424 3.003 1.00 0.00 H new ATOM 0 HB2 GLU A 62 6.666 -11.694 5.066 1.00 0.00 H new ATOM 0 HB3 GLU A 62 7.889 -12.761 4.403 1.00 0.00 H new ATOM 0 HG2 GLU A 62 9.475 -11.716 5.635 1.00 0.00 H new ATOM 0 HG3 GLU A 62 9.151 -10.216 4.788 1.00 0.00 H new ATOM 1004 N VAL A 63 6.369 -11.937 1.219 1.00 0.00 N ATOM 1005 CA VAL A 63 6.170 -12.855 0.110 1.00 0.00 C ATOM 1006 C VAL A 63 7.442 -12.906 -0.739 1.00 0.00 C ATOM 1007 O VAL A 63 8.203 -11.940 -0.781 1.00 0.00 O ATOM 1008 CB VAL A 63 4.932 -12.447 -0.692 1.00 0.00 C ATOM 1009 CG1 VAL A 63 3.653 -12.951 -0.020 1.00 0.00 C ATOM 1010 CG2 VAL A 63 4.885 -10.931 -0.894 1.00 0.00 C ATOM 0 H VAL A 63 5.673 -11.195 1.289 1.00 0.00 H new ATOM 0 HA VAL A 63 5.984 -13.864 0.478 1.00 0.00 H new ATOM 0 HB VAL A 63 5.000 -12.914 -1.675 1.00 0.00 H new ATOM 0 HG11 VAL A 63 2.788 -12.648 -0.610 1.00 0.00 H new ATOM 0 HG12 VAL A 63 3.682 -14.038 0.048 1.00 0.00 H new ATOM 0 HG13 VAL A 63 3.576 -12.526 0.981 1.00 0.00 H new ATOM 0 HG21 VAL A 63 3.996 -10.668 -1.467 1.00 0.00 H new ATOM 0 HG22 VAL A 63 4.852 -10.436 0.076 1.00 0.00 H new ATOM 0 HG23 VAL A 63 5.774 -10.608 -1.436 1.00 0.00 H new ATOM 1020 N ASP A 64 7.633 -14.041 -1.394 1.00 0.00 N ATOM 1021 CA ASP A 64 8.800 -14.230 -2.239 1.00 0.00 C ATOM 1022 C ASP A 64 8.463 -13.804 -3.669 1.00 0.00 C ATOM 1023 O ASP A 64 9.348 -13.717 -4.519 1.00 0.00 O ATOM 1024 CB ASP A 64 9.224 -15.700 -2.271 1.00 0.00 C ATOM 1025 CG ASP A 64 10.239 -16.104 -1.200 1.00 0.00 C ATOM 1026 OD1 ASP A 64 11.306 -15.454 -1.156 1.00 0.00 O ATOM 1027 OD2 ASP A 64 9.926 -17.053 -0.450 1.00 0.00 O ATOM 0 H ASP A 64 6.999 -14.839 -1.357 1.00 0.00 H new ATOM 0 HA ASP A 64 9.613 -13.629 -1.831 1.00 0.00 H new ATOM 0 HB2 ASP A 64 8.335 -16.321 -2.161 1.00 0.00 H new ATOM 0 HB3 ASP A 64 9.646 -15.919 -3.252 1.00 0.00 H new ATOM 1032 N ASN A 65 7.182 -13.549 -3.890 1.00 0.00 N ATOM 1033 CA ASN A 65 6.717 -13.134 -5.203 1.00 0.00 C ATOM 1034 C ASN A 65 5.232 -12.773 -5.123 1.00 0.00 C ATOM 1035 O ASN A 65 4.396 -13.629 -4.838 1.00 0.00 O ATOM 1036 CB ASN A 65 6.875 -14.262 -6.225 1.00 0.00 C ATOM 1037 CG ASN A 65 6.959 -15.623 -5.532 1.00 0.00 C ATOM 1038 OD1 ASN A 65 8.022 -16.197 -5.362 1.00 0.00 O ATOM 1039 ND2 ASN A 65 5.783 -16.105 -5.141 1.00 0.00 N ATOM 0 H ASN A 65 6.451 -13.622 -3.182 1.00 0.00 H new ATOM 0 HA ASN A 65 7.313 -12.277 -5.517 1.00 0.00 H new ATOM 0 HB2 ASN A 65 6.031 -14.253 -6.915 1.00 0.00 H new ATOM 0 HB3 ASN A 65 7.774 -14.096 -6.819 1.00 0.00 H new ATOM 0 HD21 ASN A 65 5.734 -17.007 -4.667 1.00 0.00 H new ATOM 0 HD22 ASN A 65 4.930 -15.573 -5.315 1.00 0.00 H new ATOM 1046 N VAL A 66 4.950 -11.504 -5.379 1.00 0.00 N ATOM 1047 CA VAL A 66 3.581 -11.019 -5.340 1.00 0.00 C ATOM 1048 C VAL A 66 3.023 -10.964 -6.764 1.00 0.00 C ATOM 1049 O VAL A 66 3.761 -10.708 -7.714 1.00 0.00 O ATOM 1050 CB VAL A 66 3.525 -9.669 -4.622 1.00 0.00 C ATOM 1051 CG1 VAL A 66 3.204 -8.540 -5.604 1.00 0.00 C ATOM 1052 CG2 VAL A 66 2.515 -9.701 -3.473 1.00 0.00 C ATOM 0 H VAL A 66 5.646 -10.797 -5.614 1.00 0.00 H new ATOM 0 HA VAL A 66 2.950 -11.701 -4.770 1.00 0.00 H new ATOM 0 HB VAL A 66 4.509 -9.473 -4.197 1.00 0.00 H new ATOM 0 HG11 VAL A 66 3.170 -7.591 -5.069 1.00 0.00 H new ATOM 0 HG12 VAL A 66 3.976 -8.496 -6.372 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.237 -8.728 -6.071 1.00 0.00 H new ATOM 0 HG21 VAL A 66 2.495 -8.729 -2.979 1.00 0.00 H new ATOM 0 HG22 VAL A 66 1.524 -9.929 -3.866 1.00 0.00 H new ATOM 0 HG23 VAL A 66 2.806 -10.467 -2.754 1.00 0.00 H new ATOM 1062 N PRO A 67 1.690 -11.213 -6.869 1.00 0.00 N ATOM 1063 CA PRO A 67 1.025 -11.194 -8.160 1.00 0.00 C ATOM 1064 C PRO A 67 0.831 -9.759 -8.656 1.00 0.00 C ATOM 1065 O PRO A 67 0.409 -8.889 -7.896 1.00 0.00 O ATOM 1066 CB PRO A 67 -0.287 -11.928 -7.938 1.00 0.00 C ATOM 1067 CG PRO A 67 -0.518 -11.924 -6.435 1.00 0.00 C ATOM 1068 CD PRO A 67 0.785 -11.519 -5.765 1.00 0.00 C ATOM 0 HA PRO A 67 1.610 -11.679 -8.941 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -1.105 -11.432 -8.460 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -0.235 -12.947 -8.322 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -1.315 -11.228 -6.173 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -0.832 -12.911 -6.094 1.00 0.00 H new ATOM 0 HD2 PRO A 67 0.645 -10.654 -5.117 1.00 0.00 H new ATOM 0 HD3 PRO A 67 1.177 -12.324 -5.143 1.00 0.00 H new ATOM 1076 N ARG A 68 1.148 -9.558 -9.926 1.00 0.00 N ATOM 1077 CA ARG A 68 1.013 -8.244 -10.532 1.00 0.00 C ATOM 1078 C ARG A 68 -0.459 -7.831 -10.582 1.00 0.00 C ATOM 1079 O ARG A 68 -0.783 -6.654 -10.429 1.00 0.00 O ATOM 1080 CB ARG A 68 1.589 -8.230 -11.949 1.00 0.00 C ATOM 1081 CG ARG A 68 2.373 -6.942 -12.210 1.00 0.00 C ATOM 1082 CD ARG A 68 1.536 -5.942 -13.010 1.00 0.00 C ATOM 1083 NE ARG A 68 2.332 -5.401 -14.134 1.00 0.00 N ATOM 1084 CZ ARG A 68 2.467 -6.009 -15.320 1.00 0.00 C ATOM 1085 NH1 ARG A 68 1.859 -7.182 -15.545 1.00 0.00 N ATOM 1086 NH2 ARG A 68 3.209 -5.444 -16.283 1.00 0.00 N ATOM 0 H ARG A 68 1.498 -10.283 -10.553 1.00 0.00 H new ATOM 0 HA ARG A 68 1.571 -7.537 -9.918 1.00 0.00 H new ATOM 0 HB2 ARG A 68 2.242 -9.092 -12.089 1.00 0.00 H new ATOM 0 HB3 ARG A 68 0.781 -8.321 -12.675 1.00 0.00 H new ATOM 0 HG2 ARG A 68 2.671 -6.495 -11.262 1.00 0.00 H new ATOM 0 HG3 ARG A 68 3.288 -7.173 -12.755 1.00 0.00 H new ATOM 0 HD2 ARG A 68 0.638 -6.429 -13.391 1.00 0.00 H new ATOM 0 HD3 ARG A 68 1.208 -5.129 -12.362 1.00 0.00 H new ATOM 0 HE ARG A 68 2.808 -4.509 -13.997 1.00 0.00 H new ATOM 0 HH11 ARG A 68 1.293 -7.612 -14.813 1.00 0.00 H new ATOM 0 HH12 ARG A 68 1.962 -7.645 -16.448 1.00 0.00 H new ATOM 0 HH21 ARG A 68 3.671 -4.551 -16.113 1.00 0.00 H new ATOM 0 HH22 ARG A 68 3.311 -5.907 -17.186 1.00 0.00 H new ATOM 1100 N HIS A 69 -1.312 -8.822 -10.798 1.00 0.00 N ATOM 1101 CA HIS A 69 -2.742 -8.576 -10.870 1.00 0.00 C ATOM 1102 C HIS A 69 -3.197 -7.824 -9.618 1.00 0.00 C ATOM 1103 O HIS A 69 -4.001 -6.897 -9.705 1.00 0.00 O ATOM 1104 CB HIS A 69 -3.507 -9.883 -11.088 1.00 0.00 C ATOM 1105 CG HIS A 69 -3.302 -10.495 -12.454 1.00 0.00 C ATOM 1106 ND1 HIS A 69 -4.048 -11.566 -12.915 1.00 0.00 N ATOM 1107 CD2 HIS A 69 -2.431 -10.174 -13.452 1.00 0.00 C ATOM 1108 CE1 HIS A 69 -3.634 -11.868 -14.136 1.00 0.00 C ATOM 1109 NE2 HIS A 69 -2.631 -11.005 -14.468 1.00 0.00 N ATOM 0 H HIS A 69 -1.040 -9.797 -10.925 1.00 0.00 H new ATOM 0 HA HIS A 69 -2.964 -7.945 -11.731 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -3.200 -10.603 -10.329 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -4.571 -9.698 -10.940 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -1.701 -9.378 -13.422 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -4.023 -12.659 -14.760 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -2.120 -10.999 -15.350 1.00 0.00 H new ATOM 1117 N LEU A 70 -2.664 -8.251 -8.483 1.00 0.00 N ATOM 1118 CA LEU A 70 -3.006 -7.630 -7.215 1.00 0.00 C ATOM 1119 C LEU A 70 -2.317 -6.267 -7.119 1.00 0.00 C ATOM 1120 O LEU A 70 -2.949 -5.272 -6.766 1.00 0.00 O ATOM 1121 CB LEU A 70 -2.678 -8.568 -6.053 1.00 0.00 C ATOM 1122 CG LEU A 70 -2.419 -7.898 -4.702 1.00 0.00 C ATOM 1123 CD1 LEU A 70 -3.727 -7.668 -3.944 1.00 0.00 C ATOM 1124 CD2 LEU A 70 -1.411 -8.701 -3.876 1.00 0.00 C ATOM 0 H LEU A 70 -1.997 -9.020 -8.415 1.00 0.00 H new ATOM 0 HA LEU A 70 -4.080 -7.451 -7.155 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -3.503 -9.271 -5.935 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -1.798 -9.152 -6.321 1.00 0.00 H new ATOM 0 HG LEU A 70 -1.977 -6.919 -4.886 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -3.514 -7.191 -2.987 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -4.381 -7.025 -4.533 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -4.220 -8.625 -3.770 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -1.245 -8.203 -2.921 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -1.801 -9.703 -3.700 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -0.468 -8.769 -4.419 1.00 0.00 H new ATOM 1136 N SER A 71 -1.031 -6.265 -7.437 1.00 0.00 N ATOM 1137 CA SER A 71 -0.250 -5.041 -7.391 1.00 0.00 C ATOM 1138 C SER A 71 -0.883 -3.982 -8.296 1.00 0.00 C ATOM 1139 O SER A 71 -0.668 -2.786 -8.102 1.00 0.00 O ATOM 1140 CB SER A 71 1.200 -5.297 -7.806 1.00 0.00 C ATOM 1141 OG SER A 71 2.125 -4.852 -6.817 1.00 0.00 O ATOM 0 H SER A 71 -0.510 -7.092 -7.728 1.00 0.00 H new ATOM 0 HA SER A 71 -0.246 -4.676 -6.364 1.00 0.00 H new ATOM 0 HB2 SER A 71 1.344 -6.363 -7.983 1.00 0.00 H new ATOM 0 HB3 SER A 71 1.403 -4.787 -8.748 1.00 0.00 H new ATOM 0 HG SER A 71 2.987 -4.655 -7.240 1.00 0.00 H new ATOM 1147 N LEU A 72 -1.650 -4.459 -9.264 1.00 0.00 N ATOM 1148 CA LEU A 72 -2.316 -3.568 -10.200 1.00 0.00 C ATOM 1149 C LEU A 72 -3.504 -2.901 -9.504 1.00 0.00 C ATOM 1150 O LEU A 72 -3.685 -1.688 -9.604 1.00 0.00 O ATOM 1151 CB LEU A 72 -2.694 -4.319 -11.478 1.00 0.00 C ATOM 1152 CG LEU A 72 -3.739 -3.644 -12.368 1.00 0.00 C ATOM 1153 CD1 LEU A 72 -3.303 -2.228 -12.749 1.00 0.00 C ATOM 1154 CD2 LEU A 72 -4.047 -4.500 -13.599 1.00 0.00 C ATOM 0 H LEU A 72 -1.826 -5.451 -9.421 1.00 0.00 H new ATOM 0 HA LEU A 72 -1.642 -2.771 -10.514 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.789 -4.473 -12.066 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -3.065 -5.305 -11.200 1.00 0.00 H new ATOM 0 HG LEU A 72 -4.664 -3.554 -11.799 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -4.064 -1.771 -13.382 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -3.176 -1.631 -11.846 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -2.358 -2.272 -13.291 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -4.793 -3.997 -14.215 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -3.135 -4.645 -14.179 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -4.432 -5.469 -13.281 1.00 0.00 H new ATOM 1166 N ALA A 73 -4.283 -3.722 -8.815 1.00 0.00 N ATOM 1167 CA ALA A 73 -5.449 -3.226 -8.104 1.00 0.00 C ATOM 1168 C ALA A 73 -4.994 -2.471 -6.853 1.00 0.00 C ATOM 1169 O ALA A 73 -5.616 -1.486 -6.457 1.00 0.00 O ATOM 1170 CB ALA A 73 -6.381 -4.393 -7.774 1.00 0.00 C ATOM 0 H ALA A 73 -4.130 -4.727 -8.734 1.00 0.00 H new ATOM 0 HA ALA A 73 -6.010 -2.528 -8.726 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -7.256 -4.021 -7.241 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -6.698 -4.878 -8.697 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -5.854 -5.114 -7.148 1.00 0.00 H new ATOM 1176 N LEU A 74 -3.914 -2.962 -6.264 1.00 0.00 N ATOM 1177 CA LEU A 74 -3.369 -2.347 -5.066 1.00 0.00 C ATOM 1178 C LEU A 74 -3.135 -0.857 -5.324 1.00 0.00 C ATOM 1179 O LEU A 74 -3.662 -0.009 -4.606 1.00 0.00 O ATOM 1180 CB LEU A 74 -2.117 -3.094 -4.602 1.00 0.00 C ATOM 1181 CG LEU A 74 -2.334 -4.165 -3.531 1.00 0.00 C ATOM 1182 CD1 LEU A 74 -1.173 -5.161 -3.508 1.00 0.00 C ATOM 1183 CD2 LEU A 74 -2.570 -3.529 -2.159 1.00 0.00 C ATOM 0 H LEU A 74 -3.401 -3.779 -6.594 1.00 0.00 H new ATOM 0 HA LEU A 74 -4.080 -2.421 -4.243 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -1.656 -3.565 -5.470 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -1.404 -2.364 -4.219 1.00 0.00 H new ATOM 0 HG LEU A 74 -3.234 -4.725 -3.786 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -1.353 -5.911 -2.738 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -1.093 -5.649 -4.479 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -0.245 -4.633 -3.290 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -2.721 -4.312 -1.416 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -1.703 -2.929 -1.882 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -3.454 -2.892 -2.200 1.00 0.00 H new ATOM 1195 N PHE A 75 -2.344 -0.584 -6.352 1.00 0.00 N ATOM 1196 CA PHE A 75 -2.035 0.789 -6.714 1.00 0.00 C ATOM 1197 C PHE A 75 -3.299 1.546 -7.124 1.00 0.00 C ATOM 1198 O PHE A 75 -3.485 2.701 -6.744 1.00 0.00 O ATOM 1199 CB PHE A 75 -1.079 0.732 -7.907 1.00 0.00 C ATOM 1200 CG PHE A 75 -0.822 2.090 -8.564 1.00 0.00 C ATOM 1201 CD1 PHE A 75 -0.541 3.175 -7.794 1.00 0.00 C ATOM 1202 CD2 PHE A 75 -0.874 2.211 -9.917 1.00 0.00 C ATOM 1203 CE1 PHE A 75 -0.302 4.435 -8.403 1.00 0.00 C ATOM 1204 CE2 PHE A 75 -0.635 3.472 -10.526 1.00 0.00 C ATOM 1205 CZ PHE A 75 -0.354 4.557 -9.756 1.00 0.00 C ATOM 0 H PHE A 75 -1.908 -1.290 -6.945 1.00 0.00 H new ATOM 0 HA PHE A 75 -1.594 1.308 -5.863 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -0.128 0.313 -7.578 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -1.486 0.050 -8.653 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -0.500 3.078 -6.719 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -1.097 1.349 -10.528 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -0.079 5.297 -7.791 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -0.676 3.569 -11.601 1.00 0.00 H new ATOM 0 HZ PHE A 75 -0.172 5.516 -10.219 1.00 0.00 H new ATOM 1215 N GLN A 76 -4.135 0.865 -7.893 1.00 0.00 N ATOM 1216 CA GLN A 76 -5.377 1.459 -8.359 1.00 0.00 C ATOM 1217 C GLN A 76 -6.173 2.019 -7.178 1.00 0.00 C ATOM 1218 O GLN A 76 -6.690 3.133 -7.246 1.00 0.00 O ATOM 1219 CB GLN A 76 -6.207 0.446 -9.149 1.00 0.00 C ATOM 1220 CG GLN A 76 -5.774 0.408 -10.617 1.00 0.00 C ATOM 1221 CD GLN A 76 -6.987 0.297 -11.543 1.00 0.00 C ATOM 1222 OE1 GLN A 76 -7.506 1.279 -12.049 1.00 0.00 O ATOM 1223 NE2 GLN A 76 -7.408 -0.950 -11.736 1.00 0.00 N ATOM 0 H GLN A 76 -3.977 -0.093 -8.205 1.00 0.00 H new ATOM 0 HA GLN A 76 -5.134 2.282 -9.031 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -6.095 -0.544 -8.707 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -7.263 0.707 -9.084 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -5.210 1.309 -10.857 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -5.107 -0.439 -10.782 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -6.927 -1.727 -11.282 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -8.211 -1.130 -12.338 1.00 0.00 H new ATOM 1232 N SER A 77 -6.246 1.220 -6.124 1.00 0.00 N ATOM 1233 CA SER A 77 -6.971 1.622 -4.930 1.00 0.00 C ATOM 1234 C SER A 77 -6.065 2.459 -4.025 1.00 0.00 C ATOM 1235 O SER A 77 -5.982 2.212 -2.823 1.00 0.00 O ATOM 1236 CB SER A 77 -7.499 0.403 -4.171 1.00 0.00 C ATOM 1237 OG SER A 77 -8.020 0.756 -2.892 1.00 0.00 O ATOM 0 H SER A 77 -5.816 0.297 -6.072 1.00 0.00 H new ATOM 0 HA SER A 77 -7.826 2.225 -5.235 1.00 0.00 H new ATOM 0 HB2 SER A 77 -8.279 -0.081 -4.759 1.00 0.00 H new ATOM 0 HB3 SER A 77 -6.696 -0.323 -4.048 1.00 0.00 H new ATOM 0 HG SER A 77 -7.321 1.195 -2.364 1.00 0.00 H new ATOM 1243 N PHE A 78 -5.409 3.434 -4.638 1.00 0.00 N ATOM 1244 CA PHE A 78 -4.513 4.310 -3.902 1.00 0.00 C ATOM 1245 C PHE A 78 -3.821 5.300 -4.841 1.00 0.00 C ATOM 1246 O PHE A 78 -2.971 4.912 -5.642 1.00 0.00 O ATOM 1247 CB PHE A 78 -3.453 3.420 -3.249 1.00 0.00 C ATOM 1248 CG PHE A 78 -3.753 3.062 -1.792 1.00 0.00 C ATOM 1249 CD1 PHE A 78 -4.180 4.024 -0.930 1.00 0.00 C ATOM 1250 CD2 PHE A 78 -3.593 1.783 -1.359 1.00 0.00 C ATOM 1251 CE1 PHE A 78 -4.458 3.693 0.422 1.00 0.00 C ATOM 1252 CE2 PHE A 78 -3.871 1.452 -0.006 1.00 0.00 C ATOM 1253 CZ PHE A 78 -4.298 2.413 0.856 1.00 0.00 C ATOM 0 H PHE A 78 -5.480 3.636 -5.635 1.00 0.00 H new ATOM 0 HA PHE A 78 -5.075 4.882 -3.164 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -3.360 2.500 -3.827 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -2.489 3.926 -3.297 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -4.307 5.040 -1.274 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -3.255 1.019 -2.044 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -4.796 4.457 1.106 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -3.743 0.436 0.338 1.00 0.00 H new ATOM 0 HZ PHE A 78 -4.510 2.161 1.884 1.00 0.00 H new ATOM 1263 N GLU A 79 -4.211 6.560 -4.713 1.00 0.00 N ATOM 1264 CA GLU A 79 -3.639 7.609 -5.540 1.00 0.00 C ATOM 1265 C GLU A 79 -4.095 8.983 -5.045 1.00 0.00 C ATOM 1266 O GLU A 79 -5.243 9.150 -4.637 1.00 0.00 O ATOM 1267 CB GLU A 79 -4.004 7.407 -7.012 1.00 0.00 C ATOM 1268 CG GLU A 79 -3.081 8.219 -7.922 1.00 0.00 C ATOM 1269 CD GLU A 79 -2.633 7.390 -9.128 1.00 0.00 C ATOM 1270 OE1 GLU A 79 -2.452 6.168 -8.940 1.00 0.00 O ATOM 1271 OE2 GLU A 79 -2.481 7.998 -10.209 1.00 0.00 O ATOM 0 H GLU A 79 -4.917 6.878 -4.049 1.00 0.00 H new ATOM 0 HA GLU A 79 -2.553 7.558 -5.459 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -3.933 6.349 -7.266 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -5.039 7.706 -7.178 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -3.598 9.115 -8.264 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -2.208 8.550 -7.359 1.00 0.00 H new ATOM 1278 N THR A 80 -3.172 9.932 -5.098 1.00 0.00 N ATOM 1279 CA THR A 80 -3.465 11.286 -4.660 1.00 0.00 C ATOM 1280 C THR A 80 -4.150 12.071 -5.780 1.00 0.00 C ATOM 1281 O THR A 80 -4.887 13.020 -5.516 1.00 0.00 O ATOM 1282 CB THR A 80 -2.157 11.922 -4.184 1.00 0.00 C ATOM 1283 OG1 THR A 80 -2.576 12.941 -3.280 1.00 0.00 O ATOM 1284 CG2 THR A 80 -1.437 12.685 -5.298 1.00 0.00 C ATOM 0 H THR A 80 -2.221 9.790 -5.438 1.00 0.00 H new ATOM 0 HA THR A 80 -4.167 11.290 -3.826 1.00 0.00 H new ATOM 0 HB THR A 80 -1.499 11.147 -3.791 1.00 0.00 H new ATOM 0 HG1 THR A 80 -1.790 13.404 -2.922 1.00 0.00 H new ATOM 0 HG21 THR A 80 -0.516 13.116 -4.907 1.00 0.00 H new ATOM 0 HG22 THR A 80 -1.200 12.001 -6.113 1.00 0.00 H new ATOM 0 HG23 THR A 80 -2.082 13.482 -5.669 1.00 0.00 H new ATOM 1292 N GLY A 81 -3.883 11.647 -7.006 1.00 0.00 N ATOM 1293 CA GLY A 81 -4.466 12.299 -8.167 1.00 0.00 C ATOM 1294 C GLY A 81 -3.701 11.934 -9.441 1.00 0.00 C ATOM 1295 O GLY A 81 -2.495 11.697 -9.400 1.00 0.00 O ATOM 0 H GLY A 81 -3.271 10.860 -7.221 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -5.510 12.004 -8.268 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -4.452 13.380 -8.027 1.00 0.00 H new ATOM 1299 N HIS A 82 -4.435 11.901 -10.544 1.00 0.00 N ATOM 1300 CA HIS A 82 -3.842 11.569 -11.828 1.00 0.00 C ATOM 1301 C HIS A 82 -4.922 11.583 -12.912 1.00 0.00 C ATOM 1302 O HIS A 82 -6.113 11.585 -12.606 1.00 0.00 O ATOM 1303 CB HIS A 82 -3.094 10.236 -11.753 1.00 0.00 C ATOM 1304 CG HIS A 82 -2.709 9.672 -13.100 1.00 0.00 C ATOM 1305 ND1 HIS A 82 -3.539 8.839 -13.829 1.00 0.00 N ATOM 1306 CD2 HIS A 82 -1.575 9.830 -13.841 1.00 0.00 C ATOM 1307 CE1 HIS A 82 -2.922 8.515 -14.956 1.00 0.00 C ATOM 1308 NE2 HIS A 82 -1.704 9.130 -14.961 1.00 0.00 N ATOM 0 H HIS A 82 -5.435 12.099 -10.575 1.00 0.00 H new ATOM 0 HA HIS A 82 -3.100 12.321 -12.095 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -2.192 10.370 -11.155 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -3.717 9.510 -11.231 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -0.717 10.424 -13.563 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -3.314 7.876 -15.734 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -1.008 9.063 -15.703 1.00 0.00 H new ATOM 1316 N CYS A 83 -4.466 11.593 -14.156 1.00 0.00 N ATOM 1317 CA CYS A 83 -5.379 11.607 -15.287 1.00 0.00 C ATOM 1318 C CYS A 83 -5.972 13.012 -15.408 1.00 0.00 C ATOM 1319 O CYS A 83 -7.041 13.190 -15.990 1.00 0.00 O ATOM 1320 CB CYS A 83 -6.465 10.538 -15.150 1.00 0.00 C ATOM 1321 SG CYS A 83 -6.358 9.355 -16.542 1.00 0.00 S ATOM 0 H CYS A 83 -3.477 11.592 -14.406 1.00 0.00 H new ATOM 0 HA CYS A 83 -4.836 11.364 -16.200 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -6.350 10.010 -14.203 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -7.449 11.007 -15.135 1.00 0.00 H new ATOM 0 HG CYS A 83 -7.283 8.450 -16.415 1.00 0.00 H new ATOM 1327 N LEU A 84 -5.253 13.974 -14.849 1.00 0.00 N ATOM 1328 CA LEU A 84 -5.695 15.357 -14.887 1.00 0.00 C ATOM 1329 C LEU A 84 -5.124 16.036 -16.134 1.00 0.00 C ATOM 1330 O LEU A 84 -4.586 17.139 -16.053 1.00 0.00 O ATOM 1331 CB LEU A 84 -5.338 16.070 -13.581 1.00 0.00 C ATOM 1332 CG LEU A 84 -6.367 15.959 -12.454 1.00 0.00 C ATOM 1333 CD1 LEU A 84 -7.501 16.967 -12.645 1.00 0.00 C ATOM 1334 CD2 LEU A 84 -6.889 14.526 -12.327 1.00 0.00 C ATOM 0 H LEU A 84 -4.367 13.823 -14.367 1.00 0.00 H new ATOM 0 HA LEU A 84 -6.781 15.408 -14.964 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -4.389 15.672 -13.221 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -5.179 17.126 -13.798 1.00 0.00 H new ATOM 0 HG LEU A 84 -5.872 16.206 -11.515 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -8.218 16.867 -11.830 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -7.093 17.978 -12.647 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -8.001 16.776 -13.594 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -7.619 14.475 -11.519 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -7.362 14.227 -13.262 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -6.059 13.854 -12.109 1.00 0.00 H new ATOM 1346 N ASN A 85 -5.261 15.348 -17.258 1.00 0.00 N ATOM 1347 CA ASN A 85 -4.765 15.871 -18.520 1.00 0.00 C ATOM 1348 C ASN A 85 -3.252 15.662 -18.595 1.00 0.00 C ATOM 1349 O ASN A 85 -2.602 15.431 -17.576 1.00 0.00 O ATOM 1350 CB ASN A 85 -5.042 17.371 -18.642 1.00 0.00 C ATOM 1351 CG ASN A 85 -5.641 17.709 -20.008 1.00 0.00 C ATOM 1352 OD1 ASN A 85 -5.153 17.297 -21.048 1.00 0.00 O ATOM 1353 ND2 ASN A 85 -6.723 18.480 -19.948 1.00 0.00 N ATOM 0 H ASN A 85 -5.708 14.433 -17.321 1.00 0.00 H new ATOM 0 HA ASN A 85 -5.274 15.344 -19.326 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -5.727 17.683 -17.853 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -4.116 17.928 -18.499 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -7.197 18.762 -20.806 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -7.079 18.790 -19.044 1.00 0.00 H new ATOM 1360 N GLU A 86 -2.733 15.751 -19.811 1.00 0.00 N ATOM 1361 CA GLU A 86 -1.308 15.574 -20.032 1.00 0.00 C ATOM 1362 C GLU A 86 -0.520 16.673 -19.317 1.00 0.00 C ATOM 1363 O GLU A 86 -0.129 17.663 -19.934 1.00 0.00 O ATOM 1364 CB GLU A 86 -0.984 15.550 -21.527 1.00 0.00 C ATOM 1365 CG GLU A 86 -2.050 14.779 -22.307 1.00 0.00 C ATOM 1366 CD GLU A 86 -1.415 13.688 -23.172 1.00 0.00 C ATOM 1367 OE1 GLU A 86 -0.298 13.939 -23.673 1.00 0.00 O ATOM 1368 OE2 GLU A 86 -2.061 12.627 -23.312 1.00 0.00 O ATOM 0 H GLU A 86 -3.274 15.943 -20.654 1.00 0.00 H new ATOM 0 HA GLU A 86 -1.012 14.612 -19.615 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -0.919 16.570 -21.905 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -0.009 15.089 -21.684 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -2.760 14.330 -21.613 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -2.613 15.467 -22.938 1.00 0.00 H new ATOM 1375 N THR A 87 -0.310 16.463 -18.026 1.00 0.00 N ATOM 1376 CA THR A 87 0.424 17.424 -17.221 1.00 0.00 C ATOM 1377 C THR A 87 1.688 16.782 -16.645 1.00 0.00 C ATOM 1378 O THR A 87 1.956 16.893 -15.450 1.00 0.00 O ATOM 1379 CB THR A 87 -0.524 17.965 -16.149 1.00 0.00 C ATOM 1380 OG1 THR A 87 -1.485 18.719 -16.885 1.00 0.00 O ATOM 1381 CG2 THR A 87 0.146 19.000 -15.243 1.00 0.00 C ATOM 0 H THR A 87 -0.636 15.641 -17.517 1.00 0.00 H new ATOM 0 HA THR A 87 0.769 18.264 -17.825 1.00 0.00 H new ATOM 0 HB THR A 87 -0.896 17.139 -15.543 1.00 0.00 H new ATOM 0 HG1 THR A 87 -2.141 19.105 -16.267 1.00 0.00 H new ATOM 0 HG21 THR A 87 -0.570 19.351 -14.500 1.00 0.00 H new ATOM 0 HG22 THR A 87 0.998 18.545 -14.738 1.00 0.00 H new ATOM 0 HG23 THR A 87 0.488 19.842 -15.844 1.00 0.00 H new ATOM 1389 N ASN A 88 2.431 16.123 -17.523 1.00 0.00 N ATOM 1390 CA ASN A 88 3.660 15.463 -17.117 1.00 0.00 C ATOM 1391 C ASN A 88 3.434 14.748 -15.784 1.00 0.00 C ATOM 1392 O ASN A 88 4.294 14.778 -14.905 1.00 0.00 O ATOM 1393 CB ASN A 88 4.791 16.476 -16.924 1.00 0.00 C ATOM 1394 CG ASN A 88 6.110 15.770 -16.600 1.00 0.00 C ATOM 1395 OD1 ASN A 88 6.238 14.561 -16.701 1.00 0.00 O ATOM 1396 ND2 ASN A 88 7.080 16.590 -16.206 1.00 0.00 N ATOM 0 H ASN A 88 2.205 16.032 -18.514 1.00 0.00 H new ATOM 0 HA ASN A 88 3.937 14.756 -17.899 1.00 0.00 H new ATOM 0 HB2 ASN A 88 4.907 17.074 -17.828 1.00 0.00 H new ATOM 0 HB3 ASN A 88 4.535 17.163 -16.118 1.00 0.00 H new ATOM 0 HD21 ASN A 88 7.998 16.216 -15.967 1.00 0.00 H new ATOM 0 HD22 ASN A 88 6.906 17.593 -16.143 1.00 0.00 H new ATOM 1403 N VAL A 89 2.271 14.121 -15.675 1.00 0.00 N ATOM 1404 CA VAL A 89 1.921 13.399 -14.464 1.00 0.00 C ATOM 1405 C VAL A 89 2.343 11.936 -14.607 1.00 0.00 C ATOM 1406 O VAL A 89 1.625 11.034 -14.179 1.00 0.00 O ATOM 1407 CB VAL A 89 0.429 13.565 -14.169 1.00 0.00 C ATOM 1408 CG1 VAL A 89 0.116 13.222 -12.711 1.00 0.00 C ATOM 1409 CG2 VAL A 89 -0.045 14.978 -14.514 1.00 0.00 C ATOM 0 H VAL A 89 1.560 14.098 -16.406 1.00 0.00 H new ATOM 0 HA VAL A 89 2.456 13.809 -13.607 1.00 0.00 H new ATOM 0 HB VAL A 89 -0.117 12.865 -14.802 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -0.951 13.348 -12.528 1.00 0.00 H new ATOM 0 HG12 VAL A 89 0.398 12.188 -12.512 1.00 0.00 H new ATOM 0 HG13 VAL A 89 0.678 13.885 -12.053 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -1.109 15.069 -14.295 1.00 0.00 H new ATOM 0 HG22 VAL A 89 0.511 15.703 -13.920 1.00 0.00 H new ATOM 0 HG23 VAL A 89 0.125 15.170 -15.573 1.00 0.00 H new ATOM 1419 N THR A 90 3.507 11.745 -15.211 1.00 0.00 N ATOM 1420 CA THR A 90 4.034 10.407 -15.416 1.00 0.00 C ATOM 1421 C THR A 90 4.712 9.899 -14.142 1.00 0.00 C ATOM 1422 O THR A 90 5.076 8.728 -14.053 1.00 0.00 O ATOM 1423 CB THR A 90 4.968 10.447 -16.627 1.00 0.00 C ATOM 1424 OG1 THR A 90 5.374 9.092 -16.797 1.00 0.00 O ATOM 1425 CG2 THR A 90 6.272 11.193 -16.336 1.00 0.00 C ATOM 0 H THR A 90 4.100 12.495 -15.565 1.00 0.00 H new ATOM 0 HA THR A 90 3.235 9.696 -15.627 1.00 0.00 H new ATOM 0 HB THR A 90 4.457 10.922 -17.464 1.00 0.00 H new ATOM 0 HG1 THR A 90 5.484 8.671 -15.919 1.00 0.00 H new ATOM 0 HG21 THR A 90 6.899 11.192 -17.228 1.00 0.00 H new ATOM 0 HG22 THR A 90 6.047 12.221 -16.051 1.00 0.00 H new ATOM 0 HG23 THR A 90 6.800 10.698 -15.521 1.00 0.00 H new ATOM 1433 N LYS A 91 4.860 10.806 -13.187 1.00 0.00 N ATOM 1434 CA LYS A 91 5.488 10.465 -11.922 1.00 0.00 C ATOM 1435 C LYS A 91 4.540 10.822 -10.775 1.00 0.00 C ATOM 1436 O LYS A 91 4.514 11.964 -10.319 1.00 0.00 O ATOM 1437 CB LYS A 91 6.863 11.125 -11.811 1.00 0.00 C ATOM 1438 CG LYS A 91 6.741 12.651 -11.813 1.00 0.00 C ATOM 1439 CD LYS A 91 8.086 13.308 -12.129 1.00 0.00 C ATOM 1440 CE LYS A 91 8.725 13.885 -10.864 1.00 0.00 C ATOM 1441 NZ LYS A 91 8.813 15.359 -10.954 1.00 0.00 N ATOM 0 H LYS A 91 4.556 11.776 -13.264 1.00 0.00 H new ATOM 0 HA LYS A 91 5.670 9.392 -11.864 1.00 0.00 H new ATOM 0 HB2 LYS A 91 7.355 10.797 -10.895 1.00 0.00 H new ATOM 0 HB3 LYS A 91 7.492 10.806 -12.642 1.00 0.00 H new ATOM 0 HG2 LYS A 91 6.000 12.959 -12.550 1.00 0.00 H new ATOM 0 HG3 LYS A 91 6.385 12.992 -10.841 1.00 0.00 H new ATOM 0 HD2 LYS A 91 8.756 12.575 -12.577 1.00 0.00 H new ATOM 0 HD3 LYS A 91 7.944 14.101 -12.863 1.00 0.00 H new ATOM 0 HE2 LYS A 91 8.137 13.603 -9.991 1.00 0.00 H new ATOM 0 HE3 LYS A 91 9.721 13.463 -10.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 9.249 15.734 -10.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 9.393 15.623 -11.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 7.859 15.758 -11.062 1.00 0.00 H new ATOM 1455 N ASP A 92 3.785 9.824 -10.342 1.00 0.00 N ATOM 1456 CA ASP A 92 2.838 10.018 -9.257 1.00 0.00 C ATOM 1457 C ASP A 92 3.258 9.162 -8.060 1.00 0.00 C ATOM 1458 O ASP A 92 3.518 7.969 -8.206 1.00 0.00 O ATOM 1459 CB ASP A 92 1.429 9.591 -9.672 1.00 0.00 C ATOM 1460 CG ASP A 92 0.777 10.467 -10.744 1.00 0.00 C ATOM 1461 OD1 ASP A 92 0.225 11.520 -10.358 1.00 0.00 O ATOM 1462 OD2 ASP A 92 0.846 10.064 -11.925 1.00 0.00 O ATOM 0 H ASP A 92 3.809 8.878 -10.723 1.00 0.00 H new ATOM 0 HA ASP A 92 2.833 11.077 -9.000 1.00 0.00 H new ATOM 0 HB2 ASP A 92 1.470 8.565 -10.038 1.00 0.00 H new ATOM 0 HB3 ASP A 92 0.791 9.589 -8.788 1.00 0.00 H new ATOM 1467 N VAL A 93 3.311 9.805 -6.903 1.00 0.00 N ATOM 1468 CA VAL A 93 3.695 9.118 -5.682 1.00 0.00 C ATOM 1469 C VAL A 93 2.467 8.958 -4.784 1.00 0.00 C ATOM 1470 O VAL A 93 1.479 9.673 -4.945 1.00 0.00 O ATOM 1471 CB VAL A 93 4.842 9.866 -4.999 1.00 0.00 C ATOM 1472 CG1 VAL A 93 6.101 9.851 -5.868 1.00 0.00 C ATOM 1473 CG2 VAL A 93 4.432 11.299 -4.651 1.00 0.00 C ATOM 0 H VAL A 93 3.094 10.795 -6.785 1.00 0.00 H new ATOM 0 HA VAL A 93 4.066 8.118 -5.907 1.00 0.00 H new ATOM 0 HB VAL A 93 5.072 9.348 -4.068 1.00 0.00 H new ATOM 0 HG11 VAL A 93 6.901 10.389 -5.359 1.00 0.00 H new ATOM 0 HG12 VAL A 93 6.411 8.821 -6.042 1.00 0.00 H new ATOM 0 HG13 VAL A 93 5.890 10.332 -6.823 1.00 0.00 H new ATOM 0 HG21 VAL A 93 5.265 11.808 -4.167 1.00 0.00 H new ATOM 0 HG22 VAL A 93 4.162 11.832 -5.563 1.00 0.00 H new ATOM 0 HG23 VAL A 93 3.577 11.279 -3.975 1.00 0.00 H new ATOM 1483 N VAL A 94 2.569 8.017 -3.857 1.00 0.00 N ATOM 1484 CA VAL A 94 1.479 7.754 -2.933 1.00 0.00 C ATOM 1485 C VAL A 94 1.974 7.946 -1.499 1.00 0.00 C ATOM 1486 O VAL A 94 3.161 7.782 -1.221 1.00 0.00 O ATOM 1487 CB VAL A 94 0.903 6.359 -3.186 1.00 0.00 C ATOM 1488 CG1 VAL A 94 -0.202 6.032 -2.180 1.00 0.00 C ATOM 1489 CG2 VAL A 94 0.394 6.228 -4.623 1.00 0.00 C ATOM 0 H VAL A 94 3.391 7.427 -3.726 1.00 0.00 H new ATOM 0 HA VAL A 94 0.664 8.461 -3.092 1.00 0.00 H new ATOM 0 HB VAL A 94 1.706 5.635 -3.049 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -0.594 5.035 -2.382 1.00 0.00 H new ATOM 0 HG12 VAL A 94 0.205 6.064 -1.169 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -1.005 6.763 -2.271 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -0.010 5.227 -4.776 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -0.388 6.966 -4.801 1.00 0.00 H new ATOM 0 HG23 VAL A 94 1.217 6.397 -5.317 1.00 0.00 H new ATOM 1499 N CYS A 95 1.040 8.290 -0.625 1.00 0.00 N ATOM 1500 CA CYS A 95 1.366 8.505 0.774 1.00 0.00 C ATOM 1501 C CYS A 95 1.581 7.141 1.433 1.00 0.00 C ATOM 1502 O CYS A 95 0.801 6.215 1.219 1.00 0.00 O ATOM 1503 CB CYS A 95 0.286 9.321 1.489 1.00 0.00 C ATOM 1504 SG CYS A 95 0.557 11.107 1.199 1.00 0.00 S ATOM 0 H CYS A 95 0.056 8.425 -0.859 1.00 0.00 H new ATOM 0 HA CYS A 95 2.281 9.092 0.850 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -0.700 9.031 1.127 1.00 0.00 H new ATOM 0 HB3 CYS A 95 0.308 9.110 2.558 1.00 0.00 H new ATOM 0 HG CYS A 95 -0.366 11.790 1.808 1.00 0.00 H new ATOM 1510 N LEU A 96 2.643 7.061 2.222 1.00 0.00 N ATOM 1511 CA LEU A 96 2.970 5.826 2.914 1.00 0.00 C ATOM 1512 C LEU A 96 2.183 5.756 4.224 1.00 0.00 C ATOM 1513 O LEU A 96 1.641 4.708 4.572 1.00 0.00 O ATOM 1514 CB LEU A 96 4.483 5.700 3.098 1.00 0.00 C ATOM 1515 CG LEU A 96 5.249 5.061 1.938 1.00 0.00 C ATOM 1516 CD1 LEU A 96 6.596 5.754 1.723 1.00 0.00 C ATOM 1517 CD2 LEU A 96 5.407 3.554 2.149 1.00 0.00 C ATOM 0 H LEU A 96 3.288 7.832 2.397 1.00 0.00 H new ATOM 0 HA LEU A 96 2.672 4.964 2.317 1.00 0.00 H new ATOM 0 HB2 LEU A 96 4.892 6.695 3.273 1.00 0.00 H new ATOM 0 HB3 LEU A 96 4.672 5.115 3.998 1.00 0.00 H new ATOM 0 HG LEU A 96 4.667 5.199 1.027 1.00 0.00 H new ATOM 0 HD11 LEU A 96 7.120 5.281 0.893 1.00 0.00 H new ATOM 0 HD12 LEU A 96 6.431 6.807 1.495 1.00 0.00 H new ATOM 0 HD13 LEU A 96 7.198 5.669 2.628 1.00 0.00 H new ATOM 0 HD21 LEU A 96 5.955 3.125 1.310 1.00 0.00 H new ATOM 0 HD22 LEU A 96 5.956 3.372 3.073 1.00 0.00 H new ATOM 0 HD23 LEU A 96 4.423 3.091 2.215 1.00 0.00 H new ATOM 1529 N ASN A 97 2.144 6.886 4.915 1.00 0.00 N ATOM 1530 CA ASN A 97 1.432 6.967 6.179 1.00 0.00 C ATOM 1531 C ASN A 97 -0.052 6.683 5.942 1.00 0.00 C ATOM 1532 O ASN A 97 -0.675 5.942 6.702 1.00 0.00 O ATOM 1533 CB ASN A 97 1.555 8.363 6.793 1.00 0.00 C ATOM 1534 CG ASN A 97 2.428 8.335 8.048 1.00 0.00 C ATOM 1535 OD1 ASN A 97 2.417 7.393 8.824 1.00 0.00 O ATOM 1536 ND2 ASN A 97 3.185 9.418 8.205 1.00 0.00 N ATOM 0 H ASN A 97 2.594 7.753 4.623 1.00 0.00 H new ATOM 0 HA ASN A 97 1.868 6.235 6.859 1.00 0.00 H new ATOM 0 HB2 ASN A 97 1.984 9.049 6.063 1.00 0.00 H new ATOM 0 HB3 ASN A 97 0.564 8.743 7.043 1.00 0.00 H new ATOM 0 HD21 ASN A 97 3.804 9.495 9.012 1.00 0.00 H new ATOM 0 HD22 ASN A 97 3.147 10.171 7.518 1.00 0.00 H new ATOM 1543 N ASP A 98 -0.577 7.287 4.886 1.00 0.00 N ATOM 1544 CA ASP A 98 -1.976 7.109 4.540 1.00 0.00 C ATOM 1545 C ASP A 98 -2.257 5.621 4.319 1.00 0.00 C ATOM 1546 O ASP A 98 -3.266 5.100 4.791 1.00 0.00 O ATOM 1547 CB ASP A 98 -2.323 7.852 3.249 1.00 0.00 C ATOM 1548 CG ASP A 98 -2.594 9.349 3.417 1.00 0.00 C ATOM 1549 OD1 ASP A 98 -1.988 9.935 4.340 1.00 0.00 O ATOM 1550 OD2 ASP A 98 -3.399 9.873 2.618 1.00 0.00 O ATOM 0 H ASP A 98 -0.058 7.901 4.258 1.00 0.00 H new ATOM 0 HA ASP A 98 -2.578 7.505 5.357 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -1.503 7.724 2.542 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -3.203 7.386 2.805 1.00 0.00 H new ATOM 1555 N VAL A 99 -1.346 4.980 3.602 1.00 0.00 N ATOM 1556 CA VAL A 99 -1.483 3.563 3.313 1.00 0.00 C ATOM 1557 C VAL A 99 -1.286 2.762 4.602 1.00 0.00 C ATOM 1558 O VAL A 99 -2.010 1.800 4.857 1.00 0.00 O ATOM 1559 CB VAL A 99 -0.510 3.158 2.204 1.00 0.00 C ATOM 1560 CG1 VAL A 99 -0.408 1.636 2.092 1.00 0.00 C ATOM 1561 CG2 VAL A 99 -0.915 3.780 0.866 1.00 0.00 C ATOM 0 H VAL A 99 -0.510 5.416 3.213 1.00 0.00 H new ATOM 0 HA VAL A 99 -2.485 3.344 2.944 1.00 0.00 H new ATOM 0 HB VAL A 99 0.476 3.541 2.467 1.00 0.00 H new ATOM 0 HG11 VAL A 99 0.290 1.376 1.296 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -0.051 1.225 3.036 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -1.390 1.221 1.863 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -0.207 3.477 0.095 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -1.915 3.441 0.595 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -0.912 4.866 0.954 1.00 0.00 H new ATOM 1571 N SER A 100 -0.303 3.189 5.381 1.00 0.00 N ATOM 1572 CA SER A 100 -0.002 2.524 6.638 1.00 0.00 C ATOM 1573 C SER A 100 -1.254 2.469 7.514 1.00 0.00 C ATOM 1574 O SER A 100 -1.358 1.625 8.403 1.00 0.00 O ATOM 1575 CB SER A 100 1.134 3.234 7.378 1.00 0.00 C ATOM 1576 OG SER A 100 1.433 2.607 8.622 1.00 0.00 O ATOM 0 H SER A 100 0.295 3.987 5.166 1.00 0.00 H new ATOM 0 HA SER A 100 0.324 1.507 6.418 1.00 0.00 H new ATOM 0 HB2 SER A 100 2.026 3.241 6.752 1.00 0.00 H new ATOM 0 HB3 SER A 100 0.859 4.274 7.553 1.00 0.00 H new ATOM 0 HG SER A 100 2.164 3.088 9.063 1.00 0.00 H new ATOM 1582 N CYS A 101 -2.174 3.381 7.234 1.00 0.00 N ATOM 1583 CA CYS A 101 -3.416 3.447 7.986 1.00 0.00 C ATOM 1584 C CYS A 101 -4.333 2.323 7.499 1.00 0.00 C ATOM 1585 O CYS A 101 -4.858 1.554 8.302 1.00 0.00 O ATOM 1586 CB CYS A 101 -4.080 4.820 7.862 1.00 0.00 C ATOM 1587 SG CYS A 101 -5.137 5.138 9.322 1.00 0.00 S ATOM 0 H CYS A 101 -2.084 4.080 6.497 1.00 0.00 H new ATOM 0 HA CYS A 101 -3.209 3.311 9.048 1.00 0.00 H new ATOM 0 HB2 CYS A 101 -3.318 5.595 7.778 1.00 0.00 H new ATOM 0 HB3 CYS A 101 -4.679 4.863 6.953 1.00 0.00 H new ATOM 0 HG CYS A 101 -5.694 6.307 9.208 1.00 0.00 H new ATOM 1593 N TYR A 102 -4.497 2.264 6.186 1.00 0.00 N ATOM 1594 CA TYR A 102 -5.342 1.247 5.582 1.00 0.00 C ATOM 1595 C TYR A 102 -4.888 -0.156 5.991 1.00 0.00 C ATOM 1596 O TYR A 102 -5.699 -0.972 6.425 1.00 0.00 O ATOM 1597 CB TYR A 102 -5.175 1.404 4.070 1.00 0.00 C ATOM 1598 CG TYR A 102 -6.380 0.924 3.258 1.00 0.00 C ATOM 1599 CD1 TYR A 102 -7.654 1.318 3.614 1.00 0.00 C ATOM 1600 CD2 TYR A 102 -6.193 0.097 2.169 1.00 0.00 C ATOM 1601 CE1 TYR A 102 -8.788 0.866 2.850 1.00 0.00 C ATOM 1602 CE2 TYR A 102 -7.327 -0.355 1.405 1.00 0.00 C ATOM 1603 CZ TYR A 102 -8.568 0.051 1.783 1.00 0.00 C ATOM 1604 OH TYR A 102 -9.639 -0.376 1.062 1.00 0.00 O ATOM 0 H TYR A 102 -4.059 2.904 5.523 1.00 0.00 H new ATOM 0 HA TYR A 102 -6.377 1.367 5.903 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -4.991 2.454 3.842 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -4.292 0.850 3.753 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -7.801 1.966 4.466 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -5.196 -0.211 1.890 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -9.790 1.167 3.118 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -7.194 -1.002 0.551 1.00 0.00 H new ATOM 0 HH TYR A 102 -9.332 -0.950 0.329 1.00 0.00 H new ATOM 1614 N PHE A 103 -3.593 -0.392 5.837 1.00 0.00 N ATOM 1615 CA PHE A 103 -3.022 -1.682 6.185 1.00 0.00 C ATOM 1616 C PHE A 103 -3.201 -1.978 7.675 1.00 0.00 C ATOM 1617 O PHE A 103 -3.375 -3.131 8.066 1.00 0.00 O ATOM 1618 CB PHE A 103 -1.527 -1.609 5.868 1.00 0.00 C ATOM 1619 CG PHE A 103 -1.191 -1.847 4.394 1.00 0.00 C ATOM 1620 CD1 PHE A 103 -1.954 -1.277 3.422 1.00 0.00 C ATOM 1621 CD2 PHE A 103 -0.130 -2.628 4.056 1.00 0.00 C ATOM 1622 CE1 PHE A 103 -1.642 -1.498 2.055 1.00 0.00 C ATOM 1623 CE2 PHE A 103 0.181 -2.848 2.688 1.00 0.00 C ATOM 1624 CZ PHE A 103 -0.581 -2.279 1.716 1.00 0.00 C ATOM 0 H PHE A 103 -2.924 0.288 5.476 1.00 0.00 H new ATOM 0 HA PHE A 103 -3.520 -2.472 5.623 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -1.151 -0.629 6.162 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -1.001 -2.347 6.474 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -2.796 -0.657 3.691 1.00 0.00 H new ATOM 0 HD2 PHE A 103 0.475 -3.080 4.827 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -2.247 -1.046 1.283 1.00 0.00 H new ATOM 0 HE2 PHE A 103 1.024 -3.468 2.419 1.00 0.00 H new ATOM 0 HZ PHE A 103 -0.344 -2.447 0.676 1.00 0.00 H new ATOM 1634 N SER A 104 -3.153 -0.916 8.466 1.00 0.00 N ATOM 1635 CA SER A 104 -3.308 -1.047 9.905 1.00 0.00 C ATOM 1636 C SER A 104 -4.718 -1.540 10.237 1.00 0.00 C ATOM 1637 O SER A 104 -4.898 -2.352 11.143 1.00 0.00 O ATOM 1638 CB SER A 104 -3.030 0.281 10.612 1.00 0.00 C ATOM 1639 OG SER A 104 -2.998 0.135 12.029 1.00 0.00 O ATOM 0 H SER A 104 -3.009 0.039 8.138 1.00 0.00 H new ATOM 0 HA SER A 104 -2.581 -1.777 10.262 1.00 0.00 H new ATOM 0 HB2 SER A 104 -2.077 0.683 10.267 1.00 0.00 H new ATOM 0 HB3 SER A 104 -3.798 1.005 10.339 1.00 0.00 H new ATOM 0 HG SER A 104 -2.816 1.004 12.443 1.00 0.00 H new ATOM 1645 N LEU A 105 -5.681 -1.029 9.485 1.00 0.00 N ATOM 1646 CA LEU A 105 -7.069 -1.407 9.688 1.00 0.00 C ATOM 1647 C LEU A 105 -7.296 -2.815 9.134 1.00 0.00 C ATOM 1648 O LEU A 105 -8.115 -3.568 9.658 1.00 0.00 O ATOM 1649 CB LEU A 105 -8.005 -0.353 9.091 1.00 0.00 C ATOM 1650 CG LEU A 105 -9.090 0.187 10.025 1.00 0.00 C ATOM 1651 CD1 LEU A 105 -9.047 1.715 10.089 1.00 0.00 C ATOM 1652 CD2 LEU A 105 -10.470 -0.332 9.619 1.00 0.00 C ATOM 0 H LEU A 105 -5.528 -0.356 8.734 1.00 0.00 H new ATOM 0 HA LEU A 105 -7.302 -1.441 10.752 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -7.401 0.486 8.745 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -8.489 -0.781 8.213 1.00 0.00 H new ATOM 0 HG LEU A 105 -8.891 -0.183 11.031 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -9.828 2.073 10.759 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -8.074 2.036 10.461 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -9.208 2.126 9.092 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -11.223 0.067 10.299 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -10.694 -0.012 8.601 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -10.478 -1.421 9.667 1.00 0.00 H new ATOM 1664 N LEU A 106 -6.556 -3.128 8.080 1.00 0.00 N ATOM 1665 CA LEU A 106 -6.666 -4.432 7.449 1.00 0.00 C ATOM 1666 C LEU A 106 -6.621 -5.519 8.524 1.00 0.00 C ATOM 1667 O LEU A 106 -7.577 -6.276 8.687 1.00 0.00 O ATOM 1668 CB LEU A 106 -5.599 -4.594 6.365 1.00 0.00 C ATOM 1669 CG LEU A 106 -6.073 -4.401 4.923 1.00 0.00 C ATOM 1670 CD1 LEU A 106 -6.309 -2.920 4.617 1.00 0.00 C ATOM 1671 CD2 LEU A 106 -5.097 -5.042 3.934 1.00 0.00 C ATOM 0 H LEU A 106 -5.878 -2.501 7.647 1.00 0.00 H new ATOM 0 HA LEU A 106 -7.624 -4.529 6.938 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -4.798 -3.881 6.562 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -5.167 -5.591 6.454 1.00 0.00 H new ATOM 0 HG LEU A 106 -7.030 -4.910 4.807 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -6.645 -2.811 3.586 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -7.070 -2.526 5.291 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -5.380 -2.367 4.756 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -5.458 -4.890 2.917 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -4.115 -4.583 4.043 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -5.023 -6.110 4.137 1.00 0.00 H new ATOM 1683 N GLU A 107 -5.500 -5.563 9.230 1.00 0.00 N ATOM 1684 CA GLU A 107 -5.318 -6.545 10.285 1.00 0.00 C ATOM 1685 C GLU A 107 -6.510 -6.523 11.243 1.00 0.00 C ATOM 1686 O GLU A 107 -6.925 -7.565 11.748 1.00 0.00 O ATOM 1687 CB GLU A 107 -4.006 -6.306 11.035 1.00 0.00 C ATOM 1688 CG GLU A 107 -4.191 -5.270 12.146 1.00 0.00 C ATOM 1689 CD GLU A 107 -2.841 -4.728 12.621 1.00 0.00 C ATOM 1690 OE1 GLU A 107 -2.149 -5.479 13.340 1.00 0.00 O ATOM 1691 OE2 GLU A 107 -2.533 -3.574 12.253 1.00 0.00 O ATOM 0 H GLU A 107 -4.709 -4.934 9.092 1.00 0.00 H new ATOM 0 HA GLU A 107 -5.263 -7.534 9.829 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -3.651 -7.244 11.463 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -3.241 -5.964 10.338 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -4.809 -4.449 11.783 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -4.721 -5.722 12.985 1.00 0.00 H new ATOM 1698 N GLY A 108 -7.027 -5.323 11.465 1.00 0.00 N ATOM 1699 CA GLY A 108 -8.164 -5.151 12.354 1.00 0.00 C ATOM 1700 C GLY A 108 -9.414 -4.745 11.573 1.00 0.00 C ATOM 1701 O GLY A 108 -10.135 -3.834 11.977 1.00 0.00 O ATOM 0 H GLY A 108 -6.680 -4.461 11.045 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -8.353 -6.080 12.892 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -7.935 -4.391 13.101 1.00 0.00 H new ATOM 1705 N GLY A 109 -9.634 -5.440 10.466 1.00 0.00 N ATOM 1706 CA GLY A 109 -10.786 -5.163 9.625 1.00 0.00 C ATOM 1707 C GLY A 109 -11.911 -6.166 9.887 1.00 0.00 C ATOM 1708 O GLY A 109 -12.433 -6.777 8.955 1.00 0.00 O ATOM 0 H GLY A 109 -9.034 -6.194 10.132 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -11.145 -4.151 9.815 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -10.493 -5.205 8.576 1.00 0.00 H new ATOM 1712 N ARG A 110 -12.251 -6.305 11.160 1.00 0.00 N ATOM 1713 CA ARG A 110 -13.305 -7.223 11.556 1.00 0.00 C ATOM 1714 C ARG A 110 -14.647 -6.775 10.973 1.00 0.00 C ATOM 1715 O ARG A 110 -15.185 -5.742 11.368 1.00 0.00 O ATOM 1716 CB ARG A 110 -13.420 -7.304 13.080 1.00 0.00 C ATOM 1717 CG ARG A 110 -12.678 -8.528 13.622 1.00 0.00 C ATOM 1718 CD ARG A 110 -13.625 -9.442 14.402 1.00 0.00 C ATOM 1719 NE ARG A 110 -12.996 -9.850 15.679 1.00 0.00 N ATOM 1720 CZ ARG A 110 -11.989 -10.728 15.773 1.00 0.00 C ATOM 1721 NH1 ARG A 110 -11.490 -11.297 14.667 1.00 0.00 N ATOM 1722 NH2 ARG A 110 -11.481 -11.039 16.973 1.00 0.00 N ATOM 0 H ARG A 110 -11.815 -5.797 11.930 1.00 0.00 H new ATOM 0 HA ARG A 110 -13.049 -8.209 11.169 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -13.011 -6.398 13.528 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -14.470 -7.355 13.367 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -12.230 -9.081 12.796 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -11.862 -8.206 14.269 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -14.564 -8.924 14.598 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -13.865 -10.323 13.807 1.00 0.00 H new ATOM 0 HE ARG A 110 -13.352 -9.437 16.541 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -11.877 -11.061 13.753 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -10.723 -11.966 14.739 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -11.861 -10.607 17.815 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -10.714 -11.708 17.044 1.00 0.00 H new ATOM 1736 N PRO A 111 -15.162 -7.596 10.019 1.00 0.00 N ATOM 1737 CA PRO A 111 -16.431 -7.295 9.378 1.00 0.00 C ATOM 1738 C PRO A 111 -17.603 -7.592 10.315 1.00 0.00 C ATOM 1739 O PRO A 111 -17.428 -8.234 11.350 1.00 0.00 O ATOM 1740 CB PRO A 111 -16.447 -8.146 8.119 1.00 0.00 C ATOM 1741 CG PRO A 111 -15.406 -9.233 8.337 1.00 0.00 C ATOM 1742 CD PRO A 111 -14.552 -8.828 9.528 1.00 0.00 C ATOM 0 HA PRO A 111 -16.537 -6.239 9.131 1.00 0.00 H new ATOM 0 HB2 PRO A 111 -17.434 -8.578 7.952 1.00 0.00 H new ATOM 0 HB3 PRO A 111 -16.208 -7.547 7.240 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -15.889 -10.192 8.522 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -14.788 -9.354 7.447 1.00 0.00 H new ATOM 0 HD2 PRO A 111 -14.550 -9.602 10.295 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -13.515 -8.667 9.235 1.00 0.00 H new ATOM 1750 N GLU A 112 -18.772 -7.111 9.920 1.00 0.00 N ATOM 1751 CA GLU A 112 -19.973 -7.316 10.712 1.00 0.00 C ATOM 1752 C GLU A 112 -20.659 -8.622 10.305 1.00 0.00 C ATOM 1753 O GLU A 112 -21.430 -9.189 11.078 1.00 0.00 O ATOM 1754 CB GLU A 112 -20.928 -6.129 10.577 1.00 0.00 C ATOM 1755 CG GLU A 112 -21.822 -6.002 11.813 1.00 0.00 C ATOM 1756 CD GLU A 112 -22.830 -4.863 11.645 1.00 0.00 C ATOM 1757 OE1 GLU A 112 -22.366 -3.721 11.435 1.00 0.00 O ATOM 1758 OE2 GLU A 112 -24.041 -5.160 11.731 1.00 0.00 O ATOM 0 H GLU A 112 -18.914 -6.579 9.061 1.00 0.00 H new ATOM 0 HA GLU A 112 -19.686 -7.390 11.761 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -20.356 -5.211 10.441 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -21.546 -6.254 9.688 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -22.352 -6.940 11.981 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -21.207 -5.821 12.694 1.00 0.00 H new ATOM 1765 N ASP A 113 -20.356 -9.060 9.092 1.00 0.00 N ATOM 1766 CA ASP A 113 -20.934 -10.288 8.573 1.00 0.00 C ATOM 1767 C ASP A 113 -20.003 -10.876 7.511 1.00 0.00 C ATOM 1768 O ASP A 113 -20.011 -10.436 6.362 1.00 0.00 O ATOM 1769 CB ASP A 113 -22.291 -10.024 7.919 1.00 0.00 C ATOM 1770 CG ASP A 113 -23.486 -10.671 8.624 1.00 0.00 C ATOM 1771 OD1 ASP A 113 -23.235 -11.565 9.461 1.00 0.00 O ATOM 1772 OD2 ASP A 113 -24.622 -10.257 8.310 1.00 0.00 O ATOM 0 H ASP A 113 -19.717 -8.586 8.453 1.00 0.00 H new ATOM 0 HA ASP A 113 -21.064 -10.978 9.406 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -22.453 -8.947 7.876 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -22.258 -10.383 6.890 1.00 0.00 H new ATOM 1777 N LYS A 114 -19.224 -11.861 7.932 1.00 0.00 N ATOM 1778 CA LYS A 114 -18.289 -12.514 7.031 1.00 0.00 C ATOM 1779 C LYS A 114 -19.052 -13.069 5.826 1.00 0.00 C ATOM 1780 O LYS A 114 -20.277 -12.974 5.766 1.00 0.00 O ATOM 1781 CB LYS A 114 -17.471 -13.567 7.779 1.00 0.00 C ATOM 1782 CG LYS A 114 -18.318 -14.804 8.086 1.00 0.00 C ATOM 1783 CD LYS A 114 -17.486 -15.878 8.790 1.00 0.00 C ATOM 1784 CE LYS A 114 -18.070 -16.212 10.164 1.00 0.00 C ATOM 1785 NZ LYS A 114 -16.995 -16.603 11.103 1.00 0.00 N ATOM 0 H LYS A 114 -19.221 -12.223 8.886 1.00 0.00 H new ATOM 0 HA LYS A 114 -17.565 -11.795 6.647 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -16.606 -13.854 7.180 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -17.089 -13.144 8.708 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -19.163 -14.523 8.715 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -18.729 -15.206 7.160 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -17.454 -16.778 8.176 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -16.459 -15.532 8.902 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -18.608 -15.349 10.557 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -18.793 -17.023 10.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -17.409 -16.826 12.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -16.499 -17.440 10.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -16.320 -15.818 11.205 1.00 0.00 H new ATOM 1799 N LEU A 115 -18.297 -13.636 4.898 1.00 0.00 N ATOM 1800 CA LEU A 115 -18.886 -14.207 3.699 1.00 0.00 C ATOM 1801 C LEU A 115 -18.951 -15.729 3.842 1.00 0.00 C ATOM 1802 O LEU A 115 -18.504 -16.281 4.846 1.00 0.00 O ATOM 1803 CB LEU A 115 -18.130 -13.738 2.454 1.00 0.00 C ATOM 1804 CG LEU A 115 -18.738 -12.550 1.707 1.00 0.00 C ATOM 1805 CD1 LEU A 115 -17.653 -11.725 1.012 1.00 0.00 C ATOM 1806 CD2 LEU A 115 -19.820 -13.012 0.730 1.00 0.00 C ATOM 0 H LEU A 115 -17.281 -13.713 4.952 1.00 0.00 H new ATOM 0 HA LEU A 115 -19.910 -13.854 3.573 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -17.114 -13.475 2.748 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -18.055 -14.577 1.762 1.00 0.00 H new ATOM 0 HG LEU A 115 -19.220 -11.899 2.437 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -18.113 -10.887 0.488 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -16.951 -11.348 1.755 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -17.121 -12.352 0.296 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -20.236 -12.148 0.212 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -19.385 -13.696 0.002 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -20.612 -13.522 1.279 1.00 0.00 H new ATOM 1818 N GLU A 116 -19.512 -16.364 2.823 1.00 0.00 N ATOM 1819 CA GLU A 116 -19.641 -17.811 2.823 1.00 0.00 C ATOM 1820 C GLU A 116 -19.601 -18.347 1.390 1.00 0.00 C ATOM 1821 O GLU A 116 -20.325 -17.863 0.522 1.00 0.00 O ATOM 1822 CB GLU A 116 -20.923 -18.247 3.535 1.00 0.00 C ATOM 1823 CG GLU A 116 -21.478 -17.117 4.405 1.00 0.00 C ATOM 1824 CD GLU A 116 -22.785 -17.537 5.081 1.00 0.00 C ATOM 1825 OE1 GLU A 116 -23.445 -18.442 4.527 1.00 0.00 O ATOM 1826 OE2 GLU A 116 -23.094 -16.944 6.137 1.00 0.00 O ATOM 0 H GLU A 116 -19.882 -15.903 1.992 1.00 0.00 H new ATOM 0 HA GLU A 116 -18.798 -18.232 3.372 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -21.669 -18.544 2.798 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -20.720 -19.121 4.154 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -20.744 -16.843 5.163 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -21.649 -16.232 3.792 1.00 0.00 H new ATOM 1833 N TRP A 117 -18.746 -19.339 1.188 1.00 0.00 N ATOM 1834 CA TRP A 117 -18.602 -19.946 -0.124 1.00 0.00 C ATOM 1835 C TRP A 117 -19.670 -21.033 -0.263 1.00 0.00 C ATOM 1836 O TRP A 117 -20.860 -20.733 -0.334 1.00 0.00 O ATOM 1837 CB TRP A 117 -17.181 -20.475 -0.331 1.00 0.00 C ATOM 1838 CG TRP A 117 -16.104 -19.388 -0.316 1.00 0.00 C ATOM 1839 CD1 TRP A 117 -16.094 -18.227 -0.985 1.00 0.00 C ATOM 1840 CD2 TRP A 117 -14.873 -19.408 0.437 1.00 0.00 C ATOM 1841 NE1 TRP A 117 -14.951 -17.500 -0.721 1.00 0.00 N ATOM 1842 CE2 TRP A 117 -14.185 -18.241 0.171 1.00 0.00 C ATOM 1843 CE3 TRP A 117 -14.357 -20.379 1.313 1.00 0.00 C ATOM 1844 CZ2 TRP A 117 -12.943 -17.937 0.742 1.00 0.00 C ATOM 1845 CZ3 TRP A 117 -13.115 -20.060 1.874 1.00 0.00 C ATOM 1846 CH2 TRP A 117 -12.410 -18.890 1.617 1.00 0.00 C ATOM 0 H TRP A 117 -18.146 -19.737 1.911 1.00 0.00 H new ATOM 0 HA TRP A 117 -18.755 -19.206 -0.909 1.00 0.00 H new ATOM 0 HB2 TRP A 117 -16.958 -21.203 0.449 1.00 0.00 H new ATOM 0 HB3 TRP A 117 -17.136 -21.003 -1.283 1.00 0.00 H new ATOM 0 HD1 TRP A 117 -16.882 -17.901 -1.648 1.00 0.00 H new ATOM 0 HE1 TRP A 117 -14.712 -16.587 -1.109 1.00 0.00 H new ATOM 0 HE3 TRP A 117 -14.878 -21.299 1.536 1.00 0.00 H new ATOM 0 HZ2 TRP A 117 -12.424 -17.016 0.519 1.00 0.00 H new ATOM 0 HZ3 TRP A 117 -12.673 -20.773 2.554 1.00 0.00 H new ATOM 0 HH2 TRP A 117 -11.455 -18.717 2.091 1.00 0.00 H new ATOM 1857 N SER A 118 -19.205 -22.273 -0.296 1.00 0.00 N ATOM 1858 CA SER A 118 -20.106 -23.406 -0.424 1.00 0.00 C ATOM 1859 C SER A 118 -20.400 -24.000 0.955 1.00 0.00 C ATOM 1860 O SER A 118 -19.967 -23.461 1.972 1.00 0.00 O ATOM 1861 CB SER A 118 -19.518 -24.475 -1.348 1.00 0.00 C ATOM 1862 OG SER A 118 -20.445 -24.884 -2.349 1.00 0.00 O ATOM 0 H SER A 118 -18.217 -22.518 -0.236 1.00 0.00 H new ATOM 0 HA SER A 118 -21.038 -23.054 -0.866 1.00 0.00 H new ATOM 0 HB2 SER A 118 -18.618 -24.087 -1.825 1.00 0.00 H new ATOM 0 HB3 SER A 118 -19.218 -25.340 -0.757 1.00 0.00 H new ATOM 0 HG SER A 118 -20.031 -25.565 -2.919 1.00 0.00 H new TER 1868 SER A 118